shell4_X0_Y-4_Z0_mono3_fix1//test20tig_AVDZ_AVQZfit/ DONE 18.0687177262263 1 1.0 0.0 5.730540998172273e-06 -5.943170000022313e-07 5.748699003049751e-06 -6.73191000000184e-07
shell4_X0_Y0_Z-4_mono1_fix1//test20tig_AVDZ_AVQZfit/ DONE 18.0687177262263 1 1.0 0.0 5.730540998172273e-06 -5.943170000022313e-07 5.748699003049751e-06 -6.73191000000184e-07
shell4_X0_Y-4_Z-1_mono3_fix1//test20tig_AVDZ_AVQZfit/ DONE 18.0687177262263 1 1.0 0.0 5.730540998172273e-06 -5.943170000022313e-07 5.748699003049751e-06 -6.73191000000184e-07
shell4_X-1_Y0_Z-4_mono1_fix1//test20tig_AVDZ_AVQZfit/ DONE 18.0687177262263 1 1.0 0.0 5.730540998172273e-06 -5.943170000022313e-07 5.748699003049751e-06 -6.73191000000184e-07
shell4_X-4_Y0_Z0_mono2_fix1//test20tig_AVDZ_AVQZfit/ DONE 18.0687177262263 1 1.0 0.0 5.730540998172273e-06 -5.943170000022313e-07 5.748699003049751e-06 -6.73191000000184e-07
shell4_X-4_Y-1_Z0_mono2_fix1//test20tig_AVDZ_AVQZfit/ DONE 18.0687177262263 1 1.0 0.0 5.730540998172273e-06 -5.943170000022313e-07 5.748699003049751e-06 -6.73191000000184e-07
shell4_X0_Y-1_Z-4_mono3_fix1//test20tig_AVDZ_AVQZfit/ DONE 18.150301869848974 1 1.0 0.0 -1.2708580001685732e-05 1.1254350000267088e-06 -1.2770585996690897e-05 1.2833280000068559e-06
shell4_X-1_Y-4_Z0_mono2_fix1//test20tig_AVDZ_AVQZfit/ DONE 18.150301869848974 1 1.0 0.0 -1.2708580001685732e-05 1.1254350000267088e-06 -1.2770585996690897e-05 1.2833280000068559e-06
shell4_X-4_Y0_Z-1_mono1_fix1//test20tig_AVDZ_AVQZfit/ DONE 18.150301869848974 1 1.0 0.0 -1.2708580001685732e-05 1.1254350000267088e-06 -1.2770585996690897e-05 1.2833280000068559e-06
shell4_X0_Y0_Z-4_mono3_fix1//test20tig_AVDZ_AVQZfit/ DONE 18.17757657303403 1 1.0 0.0 -1.0696570996060473e-05 1.0649120000261192e-06 -1.0736370001040996e-05 1.2110640000284612e-06
shell4_X0_Y-4_Z0_mono2_fix1//test20tig_AVDZ_AVQZfit/ DONE 18.17757657303403 1 1.0 0.0 -1.0696570996060473e-05 1.0649120000261192e-06 -1.0736370001040996e-05 1.2110640000284612e-06
shell4_X-4_Y0_Z0_mono1_fix1//test20tig_AVDZ_AVQZfit/ DONE 18.17757657303403 1 1.0 0.0 -1.0696570996060473e-05 1.0649120000261192e-06 -1.0736370001040996e-05 1.2110640000284612e-06
shell4_X-1_Y-1_Z-4_mono1_fix1//test20tig_AVDZ_AVQZfit/ DONE 18.759427184823867 1 1.0 0.0 1.160613999928728e-05 -9.825569999843964e-07 1.1676649002367867e-05 -1.111321000002441e-06
shell4_X-1_Y-4_Z0_mono3_fix1//test20tig_AVDZ_AVQZfit/ DONE 18.759427184823867 1 1.0 0.0 1.160613999928728e-05 -9.825569999843964e-07 1.1676649002367867e-05 -1.111321000002441e-06
shell4_X-1_Y-4_Z-1_mono3_fix1//test20tig_AVDZ_AVQZfit/ DONE 18.759427184823867 1 1.0 0.0 1.160613999928728e-05 -9.825569999843964e-07 1.1676649002367867e-05 -1.111321000002441e-06
shell4_X-4_Y0_Z-1_mono2_fix1//test20tig_AVDZ_AVQZfit/ DONE 18.759427184823867 1 1.0 0.0 1.160613999928728e-05 -9.825569999843964e-07 1.1676649002367867e-05 -1.111321000002441e-06
shell4_X-4_Y-1_Z-1_mono2_fix1//test20tig_AVDZ_AVQZfit/ DONE 18.759427184823867 1 1.0 0.0 1.160613999928728e-05 -9.825569999843964e-07 1.1676649002367867e-05 -1.111321000002441e-06
shell4_X0_Y-1_Z-4_mono1_fix1//test20tig_AVDZ_AVQZfit/ DONE 18.759427184823867 1 1.0 0.0 1.160613999928728e-05 -9.825569999843964e-07 1.1676649002367867e-05 -1.111321000002441e-06
shell4_X-1_Y1_Z-4_mono1_fix1//test20tig_AVDZ_AVQZfit/ DONE 18.806636560754445 1 1.0 0.0 -1.596890015775898e-07 -9.537799994241425e-08 -1.7772399729665267e-07 -1.0842899997309807e-07
shell4_X1_Y-4_Z0_mono3_fix1//test20tig_AVDZ_AVQZfit/ DONE 18.806636560754445 1 1.0 0.0 -1.596890015775898e-07 -9.537799994241425e-08 -1.7772399729665267e-07 -1.0842899997309807e-07
shell4_X1_Y-4_Z-1_mono3_fix1//test20tig_AVDZ_AVQZfit/ DONE 18.806636560754445 1 1.0 0.0 -1.596890015775898e-07 -9.537799994241425e-08 -1.7772399729665267e-07 -1.0842899997309807e-07
shell4_X-4_Y0_Z1_mono2_fix1//test20tig_AVDZ_AVQZfit/ DONE 18.806636560754445 1 1.0 0.0 -1.596890015775898e-07 -9.537799994241425e-08 -1.7772399729665267e-07 -1.0842899997309807e-07
shell4_X0_Y1_Z-4_mono1_fix1//test20tig_AVDZ_AVQZfit/ DONE 18.806636560754445 1 1.0 0.0 -1.596890015775898e-07 -9.537799994241425e-08 -1.7772399729665267e-07 -1.0842899997309807e-07
shell4_X-4_Y-1_Z1_mono2_fix1//test20tig_AVDZ_AVQZfit/ DONE 18.806636560754445 1 1.0 0.0 -1.596890015775898e-07 -9.537799994241425e-08 -1.7772399729665267e-07 -1.0842899997309807e-07
shell4_X-1_Y-4_Z-1_mono2_fix1//test20tig_AVDZ_AVQZfit/ DONE 18.835896988970784 1 1.0 0.0 -1.1020564009811551e-05 8.668109999776519e-07 -1.1090093998689099e-05 9.889000000262715e-07
shell4_X-1_Y-1_Z-4_mono3_fix1//test20tig_AVDZ_AVQZfit/ DONE 18.835896988970784 1 1.0 0.0 -1.1020564009811551e-05 8.668109999776519e-07 -1.1090093998689099e-05 9.889000000262715e-07
shell4_X-4_Y-1_Z-1_mono1_fix1//test20tig_AVDZ_AVQZfit/ DONE 18.835896988970784 1 1.0 0.0 -1.1020564009811551e-05 8.668109999776519e-07 -1.1090093998689099e-05 9.889000000262715e-07
shell4_X0_Y-4_Z-1_mono2_fix1//test20tig_AVDZ_AVQZfit/ DONE 18.861368746302023 1 1.0 0.0 -1.0676178995083774e-05 9.450429999668941e-07 -1.0730076006382205e-05 1.076914000003315e-06
shell4_X-1_Y0_Z-4_mono3_fix1//test20tig_AVDZ_AVQZfit/ DONE 18.861368746302023 1 1.0 0.0 -1.0676178995083774e-05 9.450429999668941e-07 -1.0730076006382205e-05 1.076914000003315e-06
shell4_X-4_Y-1_Z0_mono1_fix1//test20tig_AVDZ_AVQZfit/ DONE 18.861368746302023 1 1.0 0.0 -1.0676178995083774e-05 9.450429999668941e-07 -1.0730076006382205e-05 1.076914000003315e-06
shell4_X-1_Y-4_Z1_mono2_fix1//test20tig_AVDZ_AVQZfit/ DONE 18.887068564515815 1 1.0 0.0 -9.05912400384068e-06 8.972669999773863e-07 -9.094533005793437e-06 1.0192580000012441e-06
shell4_X1_Y-1_Z-4_mono3_fix1//test20tig_AVDZ_AVQZfit/ DONE 18.887068564515815 1 1.0 0.0 -9.05912400384068e-06 8.972669999773863e-07 -9.094533005793437e-06 1.0192580000012441e-06
shell4_X-4_Y1_Z-1_mono1_fix1//test20tig_AVDZ_AVQZfit/ DONE 18.887068564515815 1 1.0 0.0 -9.05912400384068e-06 8.972669999773863e-07 -9.094533005793437e-06 1.0192580000012441e-06
shell4_X0_Y-4_Z1_mono2_fix1//test20tig_AVDZ_AVQZfit/ DONE 18.914017458081833 1 1.0 0.0 -6.594421002148465e-06 7.335630000104842e-07 -6.612755996115993e-06 8.307109999605711e-07
shell4_X1_Y0_Z-4_mono3_fix1//test20tig_AVDZ_AVQZfit/ DONE 18.914017458081833 1 1.0 0.0 -6.594421002148465e-06 7.335630000104842e-07 -6.612755996115993e-06 8.307109999605711e-07
shell4_X-4_Y1_Z0_mono1_fix1//test20tig_AVDZ_AVQZfit/ DONE 18.914017458081833 1 1.0 0.0 -6.594421002148465e-06 7.335630000104842e-07 -6.612755996115993e-06 8.307109999605711e-07
shell4_X1_Y0_Z-4_mono1_fix1//test20tig_AVDZ_AVQZfit/ DONE 19.471031224948373 1 1.0 0.0 1.6795529944602094e-06 -2.602640000182177e-07 1.678195012289052e-06 -2.9002300003244663e-07
shell4_X0_Y-4_Z-2_mono3_fix1//test20tig_AVDZ_AVQZfit/ DONE 19.471031224948373 1 1.0 0.0 1.6795529944602094e-06 -2.602640000182177e-07 1.678195012289052e-06 -2.9002300003244663e-07
shell4_X-4_Y1_Z0_mono2_fix1//test20tig_AVDZ_AVQZfit/ DONE 19.471031224948373 1 1.0 0.0 1.6795529944602094e-06 -2.602640000182177e-07 1.678195012289052e-06 -2.9002300003244663e-07
shell4_X-4_Y-2_Z0_mono2_fix1//test20tig_AVDZ_AVQZfit/ DONE 19.471031224948373 1 1.0 0.0 1.6795529944602094e-06 -2.602640000182177e-07 1.678195012289052e-06 -2.9002300003244663e-07
shell4_X0_Y-4_Z1_mono3_fix1//test20tig_AVDZ_AVQZfit/ DONE 19.471031224948373 1 1.0 0.0 1.6795529944602094e-06 -2.602640000182177e-07 1.678195012289052e-06 -2.9002300003244663e-07
shell4_X-2_Y0_Z-4_mono1_fix1//test20tig_AVDZ_AVQZfit/ DONE 19.471031224948373 1 1.0 0.0 1.6795529944602094e-06 -2.602640000182177e-07 1.678195012289052e-06 -2.9002300003244663e-07
shell4_X0_Y-2_Z-4_mono3_fix1//test20tig_AVDZ_AVQZfit/ DONE 19.521497200293233 1 1.0 0.0 -9.469943989870444e-06 7.437189999404126e-07 -9.524501002999841e-06 8.520400000266992e-07
shell4_X-2_Y-4_Z0_mono2_fix1//test20tig_AVDZ_AVQZfit/ DONE 19.521497200293233 1 1.0 0.0 -9.469943989870444e-06 7.437189999404126e-07 -9.524501002999841e-06 8.520400000266992e-07
shell4_X-4_Y0_Z-2_mono1_fix1//test20tig_AVDZ_AVQZfit/ DONE 19.521497200293233 1 1.0 0.0 -9.469943989870444e-06 7.437189999404126e-07 -9.524501002999841e-06 8.520400000266992e-07
shell4_X0_Y1_Z-4_mono3_fix1//test20tig_AVDZ_AVQZfit/ DONE 19.597370093145756 1 1.0 0.0 -5.8434070027146845e-06 6.362479999522108e-07 -5.857556004684739e-06 7.235540000205543e-07
shell4_X1_Y-4_Z0_mono2_fix1//test20tig_AVDZ_AVQZfit/ DONE 19.597370093145756 1 1.0 0.0 -5.8434070027146845e-06 6.362479999522108e-07 -5.857556004684739e-06 7.235540000205543e-07
shell4_X-4_Y0_Z1_mono1_fix1//test20tig_AVDZ_AVQZfit/ DONE 19.597370093145756 1 1.0 0.0 -5.8434070027146845e-06 6.362479999522108e-07 -5.857556004684739e-06 7.235540000205543e-07
shell4_X-4_Y-2_Z-1_mono2_fix1//test20tig_AVDZ_AVQZfit/ DONE 20.113350690573842 1 1.0 0.0 5.922597992480405e-06 -5.628520000633408e-07 5.95322500629436e-06 -6.34105000008045e-07
shell4_X1_Y-1_Z-4_mono1_fix1//test20tig_AVDZ_AVQZfit/ DONE 20.113350690573842 1 1.0 0.0 5.922597992480405e-06 -5.628520000633408e-07 5.95322500629436e-06 -6.34105000008045e-07
shell4_X-1_Y-4_Z1_mono3_fix1//test20tig_AVDZ_AVQZfit/ DONE 20.113350690573842 1 1.0 0.0 5.922597992480405e-06 -5.628520000633408e-07 5.95322500629436e-06 -6.34105000008045e-07
shell4_X-2_Y-1_Z-4_mono1_fix1//test20tig_AVDZ_AVQZfit/ DONE 20.113350690573842 1 1.0 0.0 5.922597992480405e-06 -5.628520000633408e-07 5.95322500629436e-06 -6.34105000008045e-07
shell4_X-4_Y1_Z-1_mono2_fix1//test20tig_AVDZ_AVQZfit/ DONE 20.113350690573842 1 1.0 0.0 5.922597992480405e-06 -5.628520000633408e-07 5.95322500629436e-06 -6.34105000008045e-07
shell4_X-1_Y-4_Z-2_mono3_fix1//test20tig_AVDZ_AVQZfit/ DONE 20.113350690573842 1 1.0 0.0 5.922597992480405e-06 -5.628520000633408e-07 5.95322500629436e-06 -6.34105000008045e-07
shell4_X1_Y1_Z-4_mono1_fix1//test20tig_AVDZ_AVQZfit/ DONE 20.15795781148229 1 1.0 0.0 -1.6767380088822392e-06 5.274600001214935e-08 -1.6962640003725937e-06 6.314600001222637e-08
shell4_X1_Y-4_Z-2_mono3_fix1//test20tig_AVDZ_AVQZfit/ DONE 20.15795781148229 1 1.0 0.0 -1.6767380088822392e-06 5.274600001214935e-08 -1.6962640003725937e-06 6.314600001222637e-08
shell4_X1_Y-4_Z1_mono3_fix1//test20tig_AVDZ_AVQZfit/ DONE 20.15795781148229 1 1.0 0.0 -1.6767380088822392e-06 5.274600001214935e-08 -1.6962640003725937e-06 6.314600001222637e-08
shell4_X-4_Y-2_Z1_mono2_fix1//test20tig_AVDZ_AVQZfit/ DONE 20.15795781148229 1 1.0 0.0 -1.6767380088822392e-06 5.274600001214935e-08 -1.6962640003725937e-06 6.314600001222637e-08
shell4_X-2_Y1_Z-4_mono1_fix1//test20tig_AVDZ_AVQZfit/ DONE 20.15795781148229 1 1.0 0.0 -1.6767380088822392e-06 5.274600001214935e-08 -1.6962640003725937e-06 6.314600001222637e-08
shell4_X-4_Y1_Z1_mono2_fix1//test20tig_AVDZ_AVQZfit/ DONE 20.15795781148229 1 1.0 0.0 -1.6767380088822392e-06 5.274600001214935e-08 -1.6962640003725937e-06 6.314600001222637e-08
shell4_X-2_Y-4_Z-1_mono2_fix1//test20tig_AVDZ_AVQZfit/ DONE 20.161078028833384 1 1.0 0.0 -7.131710994201512e-06 4.904520000126311e-07 -7.1833699948342655e-06 5.624050000152536e-07
shell4_X-1_Y-2_Z-4_mono3_fix1//test20tig_AVDZ_AVQZfit/ DONE 20.161078028833384 1 1.0 0.0 -7.131710994201512e-06 4.904520000126311e-07 -7.1833699948342655e-06 5.624050000152536e-07
shell4_X-4_Y-1_Z-2_mono1_fix1//test20tig_AVDZ_AVQZfit/ DONE 20.161078028833384 1 1.0 0.0 -7.131710994201512e-06 4.904520000126311e-07 -7.1833699948342655e-06 5.624050000152536e-07
shell4_X1_Y-2_Z-4_mono3_fix1//test20tig_AVDZ_AVQZfit/ DONE 20.20781027177798 1 1.0 0.0 -7.902598994746768e-06 6.976930000401893e-07 -7.94053500641212e-06 7.962820000040338e-07
shell4_X-2_Y-4_Z1_mono2_fix1//test20tig_AVDZ_AVQZfit/ DONE 20.20781027177798 1 1.0 0.0 -7.902598994746768e-06 6.976930000401893e-07 -7.94053500641212e-06 7.962820000040338e-07
shell4_X-4_Y1_Z-2_mono1_fix1//test20tig_AVDZ_AVQZfit/ DONE 20.20781027177798 1 1.0 0.0 -7.902598994746768e-06 6.976930000401893e-07 -7.94053500641212e-06 7.962820000040338e-07
shell4_X-1_Y1_Z-4_mono3_fix1//test20tig_AVDZ_AVQZfit/ DONE 20.2325933222763 1 1.0 0.0 -6.85158899216276e-06 6.654260000238388e-07 -6.877434998386889e-06 7.584059999732329e-07
shell4_X1_Y-4_Z-1_mono2_fix1//test20tig_AVDZ_AVQZfit/ DONE 20.2325933222763 1 1.0 0.0 -6.85158899216276e-06 6.654260000238388e-07 -6.877434998386889e-06 7.584059999732329e-07
shell4_X-4_Y-1_Z1_mono1_fix1//test20tig_AVDZ_AVQZfit/ DONE 20.2325933222763 1 1.0 0.0 -6.85158899216276e-06 6.654260000238388e-07 -6.877434998386889e-06 7.584059999732329e-07
shell4_X-4_Y1_Z1_mono1_fix1//test20tig_AVDZ_AVQZfit/ DONE 20.282927524161124 1 1.0 0.0 -2.929899004300296e-06 3.659969999847412e-07 -2.9328049961918623e-06 4.145509999997632e-07
shell4_X1_Y-4_Z1_mono2_fix1//test20tig_AVDZ_AVQZfit/ DONE 20.282927524161124 1 1.0 0.0 -2.929899004300296e-06 3.659969999847412e-07 -2.9328049961918623e-06 4.145509999997632e-07
shell4_X1_Y1_Z-4_mono3_fix1//test20tig_AVDZ_AVQZfit/ DONE 20.282927524161124 1 1.0 0.0 -2.929899004300296e-06 3.659969999847412e-07 -2.9328049961918623e-06 4.145509999997632e-07
shell4_X0_Y0_Z-4_mono0_fix1//test20tig_AVDZ_AVQZfit/ DONE 20.54355933511887 1 1.0 0.0 -1.4520399815864948e-07 -3.365499995355847e-08 -1.482279969877709e-07 -3.350100000187872e-08
shell4_X0_Y0_Z4_mono0_fix1//test20tig_AVDZ_AVQZfit/ DONE 20.54355933511887 1 1.0 0.0 -1.4520399815864948e-07 -3.365499995355847e-08 -1.482279969877709e-07 -3.350100000187872e-08
shell4_X0_Y-4_Z0_mono0_fix1//test20tig_AVDZ_AVQZfit/ DONE 20.54355933511887 1 1.0 0.0 -1.4520399815864948e-07 -3.365499995355847e-08 -1.482279969877709e-07 -3.350100000187872e-08
shell4_X0_Y4_Z0_mono0_fix1//test20tig_AVDZ_AVQZfit/ DONE 20.54355933511887 1 1.0 0.0 -1.4520399815864948e-07 -3.365499995355847e-08 -1.482279969877709e-07 -3.350100000187872e-08
shell4_X-4_Y0_Z0_mono0_fix1//test20tig_AVDZ_AVQZfit/ DONE 20.54355933511887 1 1.0 0.0 -1.4520399815864948e-07 -3.365499995355847e-08 -1.482279969877709e-07 -3.350100000187872e-08
shell4_X4_Y0_Z0_mono0_fix1//test20tig_AVDZ_AVQZfit/ DONE 20.54355933511887 1 1.0 0.0 -1.4520399815864948e-07 -3.365499995355847e-08 -1.482279969877709e-07 -3.350100000187872e-08
shell4_X-4_Y-1_Z-2_mono2_fix1//test20tig_AVDZ_AVQZfit/ DONE 20.73559639952936 1 1.0 0.0 1.1801433991820431e-05 -9.393090000253679e-07 1.188024901210838e-05 -1.0633439999907512e-06
shell4_X0_Y-2_Z-4_mono1_fix1//test20tig_AVDZ_AVQZfit/ DONE 20.73559639952936 1 1.0 0.0 1.1801433991820431e-05 -9.393090000253679e-07 1.188024901210838e-05 -1.0633439999907512e-06
shell4_X-1_Y-2_Z-4_mono1_fix1//test20tig_AVDZ_AVQZfit/ DONE 20.73559639952936 1 1.0 0.0 1.1801433991820431e-05 -9.393090000253679e-07 1.188024901210838e-05 -1.0633439999907512e-06
shell4_X-2_Y-4_Z0_mono3_fix1//test20tig_AVDZ_AVQZfit/ DONE 20.73559639952936 1 1.0 0.0 1.1801433991820431e-05 -9.393090000253679e-07 1.188024901210838e-05 -1.0633439999907512e-06
shell4_X-2_Y-4_Z-1_mono3_fix1//test20tig_AVDZ_AVQZfit/ DONE 20.73559639952936 1 1.0 0.0 1.1801433991820431e-05 -9.393090000253679e-07 1.188024901210838e-05 -1.0633439999907512e-06
shell4_X-4_Y0_Z-2_mono2_fix1//test20tig_AVDZ_AVQZfit/ DONE 20.73559639952936 1 1.0 0.0 1.1801433991820431e-05 -9.393090000253679e-07 1.188024901210838e-05 -1.0633439999907512e-06
shell4_X0_Y-4_Z-1_mono1_fix1//test20tig_AVDZ_AVQZfit/ DONE 20.756525873154896 1 1.0 0.0 5.868702004363513e-06 -5.393230000372284e-07 5.900347005649564e-06 -6.083489999808567e-07
shell4_X-1_Y-1_Z-4_mono2_fix1//test20tig_AVDZ_AVQZfit/ DONE 20.756525873154896 1 1.0 0.0 5.868702004363513e-06 -5.393230000372284e-07 5.900347005649564e-06 -6.083489999808567e-07
shell4_X-1_Y-4_Z-1_mono1_fix1//test20tig_AVDZ_AVQZfit/ DONE 20.756525873154896 1 1.0 0.0 5.868702004363513e-06 -5.393230000372284e-07 5.900347005649564e-06 -6.083489999808567e-07
shell4_X-1_Y0_Z-4_mono2_fix1//test20tig_AVDZ_AVQZfit/ DONE 20.756525873154896 1 1.0 0.0 5.868702004363513e-06 -5.393230000372284e-07 5.900347005649564e-06 -6.083489999808567e-07
shell4_X-4_Y-1_Z0_mono3_fix1//test20tig_AVDZ_AVQZfit/ DONE 20.756525873154896 1 1.0 0.0 5.868702004363513e-06 -5.393230000372284e-07 5.900347005649564e-06 -6.083489999808567e-07
shell4_X-4_Y-1_Z-1_mono3_fix1//test20tig_AVDZ_AVQZfit/ DONE 20.756525873154896 1 1.0 0.0 5.868702004363513e-06 -5.393230000372284e-07 5.900347005649564e-06 -6.083489999808567e-07
shell4_X0_Y0_Z-4_mono2_fix1//test20tig_AVDZ_AVQZfit/ DONE 20.777804905002743 1 1.0 0.0 1.7619219931930274e-06 -2.305479999686888e-07 1.7670460010776878e-06 -2.557769999966819e-07
shell4_X0_Y-1_Z-4_mono2_fix1//test20tig_AVDZ_AVQZfit/ DONE 20.777804905002743 1 1.0 0.0 1.7619219931930274e-06 -2.305479999686888e-07 1.7670460010776878e-06 -2.557769999966819e-07
shell4_X0_Y-4_Z0_mono1_fix1//test20tig_AVDZ_AVQZfit/ DONE 20.777804905002743 1 1.0 0.0 1.7619219931930274e-06 -2.305479999686888e-07 1.7670460010776878e-06 -2.557769999966819e-07
shell4_X-4_Y0_Z-1_mono3_fix1//test20tig_AVDZ_AVQZfit/ DONE 20.777804905002743 1 1.0 0.0 1.7619219931930274e-06 -2.305479999686888e-07 1.7670460010776878e-06 -2.557769999966819e-07
shell4_X-1_Y-4_Z0_mono1_fix1//test20tig_AVDZ_AVQZfit/ DONE 20.777804905002743 1 1.0 0.0 1.7619219931930274e-06 -2.305479999686888e-07 1.7670460010776878e-06 -2.557769999966819e-07
shell4_X-4_Y0_Z0_mono3_fix1//test20tig_AVDZ_AVQZfit/ DONE 20.777804905002743 1 1.0 0.0 1.7619219931930274e-06 -2.305479999686888e-07 1.7670460010776878e-06 -2.557769999966819e-07
shell4_X-1_Y-4_Z-2_mono2_fix1//test20tig_AVDZ_AVQZfit/ DONE 20.80347205242438 1 1.0 0.0 -6.085515003917408e-06 4.2835099994809056e-07 -6.132645999912256e-06 4.878809999886435e-07
shell4_X-2_Y-1_Z-4_mono3_fix1//test20tig_AVDZ_AVQZfit/ DONE 20.80347205242438 1 1.0 0.0 -6.085515003917408e-06 4.2835099994809056e-07 -6.132645999912256e-06 4.878809999886435e-07
shell4_X-4_Y-2_Z-1_mono1_fix1//test20tig_AVDZ_AVQZfit/ DONE 20.80347205242438 1 1.0 0.0 -6.085515003917408e-06 4.2835099994809056e-07 -6.132645999912256e-06 4.878809999886435e-07
shell4_X2_Y-4_Z0_mono3_fix1//test20tig_AVDZ_AVQZfit/ DONE 20.822605792382554 1 1.0 0.0 -1.8664839984694481e-06 1.1869399990649399e-07 -1.8836659947396583e-06 1.3521199998534073e-07
shell4_X0_Y2_Z-4_mono1_fix1//test20tig_AVDZ_AVQZfit/ DONE 20.822605792382554 1 1.0 0.0 -1.8664839984694481e-06 1.1869399990649399e-07 -1.8836659947396583e-06 1.3521199998534073e-07
shell4_X-1_Y2_Z-4_mono1_fix1//test20tig_AVDZ_AVQZfit/ DONE 20.822605792382554 1 1.0 0.0 -1.8664839984694481e-06 1.1869399990649399e-07 -1.8836659947396583e-06 1.3521199998534073e-07
shell4_X2_Y-4_Z-1_mono3_fix1//test20tig_AVDZ_AVQZfit/ DONE 20.822605792382554 1 1.0 0.0 -1.8664839984694481e-06 1.1869399990649399e-07 -1.8836659947396583e-06 1.3521199998534073e-07
shell4_X-4_Y-1_Z2_mono2_fix1//test20tig_AVDZ_AVQZfit/ DONE 20.822605792382554 1 1.0 0.0 -1.8664839984694481e-06 1.1869399990649399e-07 -1.8836659947396583e-06 1.3521199998534073e-07
shell4_X-4_Y0_Z2_mono2_fix1//test20tig_AVDZ_AVQZfit/ DONE 20.822605792382554 1 1.0 0.0 -1.8664839984694481e-06 1.1869399990649399e-07 -1.8836659947396583e-06 1.3521199998534073e-07
shell4_X0_Y-4_Z-2_mono2_fix1//test20tig_AVDZ_AVQZfit/ DONE 20.826028415877765 1 1.0 0.0 -6.9506869948554595e-06 5.567649999926871e-07 -6.994209002186835e-06 6.344640000321977e-07
shell4_X-2_Y0_Z-4_mono3_fix1//test20tig_AVDZ_AVQZfit/ DONE 20.826028415877765 1 1.0 0.0 -6.9506869948554595e-06 5.567649999926871e-07 -6.994209002186835e-06 6.344640000321977e-07
shell4_X-4_Y-2_Z0_mono1_fix1//test20tig_AVDZ_AVQZfit/ DONE 20.826028415877765 1 1.0 0.0 -6.9506869948554595e-06 5.567649999926871e-07 -6.994209002186835e-06 6.344640000321977e-07
shell4_X-1_Y-4_Z2_mono2_fix1//test20tig_AVDZ_AVQZfit/ DONE 20.896475128921246 1 1.0 0.0 -4.4540699946082896e-06 4.821789999498449e-07 -4.469098996651155e-06 5.456280000315505e-07
shell4_X-4_Y2_Z-1_mono1_fix1//test20tig_AVDZ_AVQZfit/ DONE 20.896475128921246 1 1.0 0.0 -4.4540699946082896e-06 4.821789999498449e-07 -4.469098996651155e-06 5.456280000315505e-07
shell4_X2_Y-1_Z-4_mono3_fix1//test20tig_AVDZ_AVQZfit/ DONE 20.896475128921246 1 1.0 0.0 -4.4540699946082896e-06 4.821789999498449e-07 -4.469098996651155e-06 5.456280000315505e-07
shell4_X-4_Y2_Z0_mono1_fix1//test20tig_AVDZ_AVQZfit/ DONE 20.921218316650034 1 1.0 0.0 -2.582426994024445e-06 3.2248600001505423e-07 -2.5877599938439744e-06 3.633320000140383e-07
shell4_X0_Y-4_Z2_mono2_fix1//test20tig_AVDZ_AVQZfit/ DONE 20.921218316650034 1 1.0 0.0 -2.582426994024445e-06 3.2248600001505423e-07 -2.5877599938439744e-06 3.633320000140383e-07
shell4_X2_Y0_Z-4_mono3_fix1//test20tig_AVDZ_AVQZfit/ DONE 20.921218316650034 1 1.0 0.0 -2.582426994024445e-06 3.2248600001505423e-07 -2.5877599938439744e-06 3.633320000140383e-07
shell4_X-1_Y4_Z-1_mono1_fix1//test20tig_AVDZ_AVQZfit/ DONE 20.94328653821157 1 1.0 0.0 2.78191200919764e-06 -2.566649999757864e-07 2.799558991739559e-06 -2.876480000024717e-07
shell4_X0_Y4_Z-1_mono1_fix1//test20tig_AVDZ_AVQZfit/ DONE 20.94328653821157 1 1.0 0.0 2.78191200919764e-06 -2.566649999757864e-07 2.799558991739559e-06 -2.876480000024717e-07
shell4_X-1_Y0_Z4_mono2_fix1//test20tig_AVDZ_AVQZfit/ DONE 20.94328653821157 1 1.0 0.0 2.78191200919764e-06 -2.566649999757864e-07 2.799558991739559e-06 -2.876480000024717e-07
shell4_X-1_Y-1_Z4_mono2_fix1//test20tig_AVDZ_AVQZfit/ DONE 20.94328653821157 1 1.0 0.0 2.78191200919764e-06 -2.566649999757864e-07 2.799558991739559e-06 -2.876480000024717e-07
shell4_X4_Y-1_Z0_mono3_fix1//test20tig_AVDZ_AVQZfit/ DONE 20.94328653821157 1 1.0 0.0 2.78191200919764e-06 -2.566649999757864e-07 2.799558991739559e-06 -2.876480000024717e-07
shell4_X4_Y-1_Z-1_mono3_fix1//test20tig_AVDZ_AVQZfit/ DONE 20.94328653821157 1 1.0 0.0 2.78191200919764e-06 -2.566649999757864e-07 2.799558991739559e-06 -2.876480000024717e-07
shell4_X0_Y0_Z4_mono2_fix1//test20tig_AVDZ_AVQZfit/ DONE 20.96893660327 1 1.0 0.0 4.913520989191511e-06 -5.05039000064933e-07 4.93445600824316e-06 -5.693819999930128e-07
shell4_X0_Y-1_Z4_mono2_fix1//test20tig_AVDZ_AVQZfit/ DONE 20.96893660327 1 1.0 0.0 4.913520989191511e-06 -5.05039000064933e-07 4.93445600824316e-06 -5.693819999930128e-07
shell4_X0_Y4_Z0_mono1_fix1//test20tig_AVDZ_AVQZfit/ DONE 20.96893660327 1 1.0 0.0 4.913520989191511e-06 -5.05039000064933e-07 4.93445600824316e-06 -5.693819999930128e-07
shell4_X-1_Y4_Z0_mono1_fix1//test20tig_AVDZ_AVQZfit/ DONE 20.96893660327 1 1.0 0.0 4.913520989191511e-06 -5.05039000064933e-07 4.93445600824316e-06 -5.693819999930128e-07
shell4_X4_Y0_Z0_mono3_fix1//test20tig_AVDZ_AVQZfit/ DONE 20.96893660327 1 1.0 0.0 4.913520989191511e-06 -5.05039000064933e-07 4.93445600824316e-06 -5.693819999930128e-07
shell4_X4_Y0_Z-1_mono3_fix1//test20tig_AVDZ_AVQZfit/ DONE 20.96893660327 1 1.0 0.0 4.913520989191511e-06 -5.05039000064933e-07 4.93445600824316e-06 -5.693819999930128e-07
shell4_X-4_Y0_Z1_mono0_fix1//test20tig_AVDZ_AVQZfit/ DONE 21.17231164727279 1 1.0 0.0 2.711074991168516e-06 -2.7993199996911855e-07 2.7241319955351173e-06 -3.134690000072826e-07
shell4_X0_Y-1_Z4_mono0_fix1//test20tig_AVDZ_AVQZfit/ DONE 21.17231164727279 1 1.0 0.0 2.711074991168516e-06 -2.7993199996911855e-07 2.7241319955351173e-06 -3.134690000072826e-07
shell4_X0_Y1_Z-4_mono0_fix1//test20tig_AVDZ_AVQZfit/ DONE 21.17231164727279 1 1.0 0.0 2.711074991168516e-06 -2.7993199996911855e-07 2.7241319955351173e-06 -3.134690000072826e-07
shell4_X-1_Y4_Z0_mono0_fix1//test20tig_AVDZ_AVQZfit/ DONE 21.17231164727279 1 1.0 0.0 2.711074991168516e-06 -2.7993199996911855e-07 2.7241319955351173e-06 -3.134690000072826e-07
shell4_X1_Y-4_Z0_mono0_fix1//test20tig_AVDZ_AVQZfit/ DONE 21.17231164727279 1 1.0 0.0 2.711074991168516e-06 -2.7993199996911855e-07 2.7241319955351173e-06 -3.134690000072826e-07
shell4_X4_Y0_Z-1_mono0_fix1//test20tig_AVDZ_AVQZfit/ DONE 21.17231164727279 1 1.0 0.0 2.711074991168516e-06 -2.7993199996911855e-07 2.7241319955351173e-06 -3.134690000072826e-07
shell4_X0_Y4_Z-1_mono0_fix1//test20tig_AVDZ_AVQZfit/ DONE 21.17231389747467 1 1.0 0.0 2.798006988768975e-06 -2.8315400002476565e-07 2.80858800039141e-06 -3.199340000148432e-07
shell4_X4_Y-1_Z0_mono0_fix1//test20tig_AVDZ_AVQZfit/ DONE 21.17231389747467 1 1.0 0.0 2.798006988768975e-06 -2.8315400002476565e-07 2.80858800039141e-06 -3.199340000148432e-07
shell4_X0_Y-4_Z1_mono0_fix1//test20tig_AVDZ_AVQZfit/ DONE 21.17231389747467 1 1.0 0.0 2.798006988768975e-06 -2.8315400002476565e-07 2.80858800039141e-06 -3.199340000148432e-07
shell4_X-1_Y0_Z4_mono0_fix1//test20tig_AVDZ_AVQZfit/ DONE 21.17231389747467 1 1.0 0.0 2.798006988768975e-06 -2.8315400002476565e-07 2.80858800039141e-06 -3.199340000148432e-07
shell4_X1_Y0_Z-4_mono0_fix1//test20tig_AVDZ_AVQZfit/ DONE 21.17231389747467 1 1.0 0.0 2.798006988768975e-06 -2.8315400002476565e-07 2.80858800039141e-06 -3.199340000148432e-07
shell4_X-4_Y1_Z0_mono0_fix1//test20tig_AVDZ_AVQZfit/ DONE 21.17231389747467 1 1.0 0.0 2.798006988768975e-06 -2.8315400002476565e-07 2.80858800039141e-06 -3.199340000148432e-07
shell4_X0_Y-4_Z-1_mono0_fix1//test20tig_AVDZ_AVQZfit/ DONE 21.176700113230186 1 1.0 0.0 -2.980033990240827e-06 2.3232599999367665e-07 -2.9948499928877936e-06 2.6886800000291977e-07
shell4_X0_Y4_Z1_mono0_fix1//test20tig_AVDZ_AVQZfit/ DONE 21.176700113230186 1 1.0 0.0 -2.980033990240827e-06 2.3232599999367665e-07 -2.9948499928877936e-06 2.6886800000291977e-07
shell4_X-1_Y0_Z-4_mono0_fix1//test20tig_AVDZ_AVQZfit/ DONE 21.176700113230186 1 1.0 0.0 -2.980033990240827e-06 2.3232599999367665e-07 -2.9948499928877936e-06 2.6886800000291977e-07
shell4_X1_Y0_Z4_mono0_fix1//test20tig_AVDZ_AVQZfit/ DONE 21.176700113230186 1 1.0 0.0 -2.980033990240827e-06 2.3232599999367665e-07 -2.9948499928877936e-06 2.6886800000291977e-07
shell4_X-4_Y-1_Z0_mono0_fix1//test20tig_AVDZ_AVQZfit/ DONE 21.176700113230186 1 1.0 0.0 -2.980033990240827e-06 2.3232599999367665e-07 -2.9948499928877936e-06 2.6886800000291977e-07
shell4_X4_Y1_Z0_mono0_fix1//test20tig_AVDZ_AVQZfit/ DONE 21.176700113230186 1 1.0 0.0 -2.980033990240827e-06 2.3232599999367665e-07 -2.9948499928877936e-06 2.6886800000291977e-07
shell4_X0_Y1_Z4_mono0_fix1//test20tig_AVDZ_AVQZfit/ DONE 21.17670233288997 1 1.0 0.0 -2.891325998177763e-06 2.2873699995207275e-07 -2.9087730055721295e-06 2.6230399999271903e-07
shell4_X-1_Y-4_Z0_mono0_fix1//test20tig_AVDZ_AVQZfit/ DONE 21.17670233288997 1 1.0 0.0 -2.891325998177763e-06 2.2873699995207275e-07 -2.9087730055721295e-06 2.6230399999271903e-07
shell4_X1_Y4_Z0_mono0_fix1//test20tig_AVDZ_AVQZfit/ DONE 21.17670233288997 1 1.0 0.0 -2.891325998177763e-06 2.2873699995207275e-07 -2.9087730055721295e-06 2.6230399999271903e-07
shell4_X-4_Y0_Z-1_mono0_fix1//test20tig_AVDZ_AVQZfit/ DONE 21.17670233288997 1 1.0 0.0 -2.891325998177763e-06 2.2873699995207275e-07 -2.9087730055721295e-06 2.6230399999271903e-07
shell4_X4_Y0_Z1_mono0_fix1//test20tig_AVDZ_AVQZfit/ DONE 21.17670233288997 1 1.0 0.0 -2.891325998177763e-06 2.2873699995207275e-07 -2.9087730055721295e-06 2.6230399999271903e-07
shell4_X0_Y-1_Z-4_mono0_fix1//test20tig_AVDZ_AVQZfit/ DONE 21.17670233288997 1 1.0 0.0 -2.891325998177763e-06 2.2873699995207275e-07 -2.9087730055721295e-06 2.6230399999271903e-07
shell4_X-1_Y-1_Z4_mono0_fix1//test20tig_AVDZ_AVQZfit/ DONE 21.78366503231181 1 1.0 0.0 4.293465003968322e-06 -4.063979999746614e-07 4.313193997518283e-06 -4.6017099999962063e-07
shell4_X1_Y1_Z-4_mono0_fix1//test20tig_AVDZ_AVQZfit/ DONE 21.78366503231181 1 1.0 0.0 4.293465003968322e-06 -4.063979999746614e-07 4.313193997518283e-06 -4.6017099999962063e-07
shell4_X1_Y-4_Z1_mono0_fix1//test20tig_AVDZ_AVQZfit/ DONE 21.78366503231181 1 1.0 0.0 4.293465003968322e-06 -4.063979999746614e-07 4.313193997518283e-06 -4.6017099999962063e-07
shell4_X4_Y-1_Z-1_mono0_fix1//test20tig_AVDZ_AVQZfit/ DONE 21.78366503231181 1 1.0 0.0 4.293465003968322e-06 -4.063979999746614e-07 4.313193997518283e-06 -4.6017099999962063e-07
shell4_X-1_Y4_Z-1_mono0_fix1//test20tig_AVDZ_AVQZfit/ DONE 21.78366503231181 1 1.0 0.0 4.293465003968322e-06 -4.063979999746614e-07 4.313193997518283e-06 -4.6017099999962063e-07
shell4_X-4_Y1_Z1_mono0_fix1//test20tig_AVDZ_AVQZfit/ DONE 21.78366503231181 1 1.0 0.0 4.293465003968322e-06 -4.063979999746614e-07 4.313193997518283e-06 -4.6017099999962063e-07
shell4_X-1_Y1_Z-4_mono0_fix1//test20tig_AVDZ_AVQZfit/ DONE 21.786687850027203 1 1.0 0.0 4.24403999943479e-07 -7.615300001706515e-08 4.275470004699855e-07 -8.067199999683972e-08
shell4_X1_Y-1_Z4_mono0_fix1//test20tig_AVDZ_AVQZfit/ DONE 21.786687850027203 1 1.0 0.0 4.24403999943479e-07 -7.615300001706515e-08 4.275470004699855e-07 -8.067199999683972e-08
shell4_X1_Y-4_Z-1_mono0_fix1//test20tig_AVDZ_AVQZfit/ DONE 21.786687850027203 1 1.0 0.0 4.24403999943479e-07 -7.615300001706515e-08 4.275470004699855e-07 -8.067199999683972e-08
shell4_X-4_Y-1_Z1_mono0_fix1//test20tig_AVDZ_AVQZfit/ DONE 21.786687850027203 1 1.0 0.0 4.24403999943479e-07 -7.615300001706515e-08 4.275470004699855e-07 -8.067199999683972e-08
shell4_X4_Y1_Z-1_mono0_fix1//test20tig_AVDZ_AVQZfit/ DONE 21.786687850027203 1 1.0 0.0 4.24403999943479e-07 -7.615300001706515e-08 4.275470004699855e-07 -8.067199999683972e-08
shell4_X-1_Y4_Z1_mono0_fix1//test20tig_AVDZ_AVQZfit/ DONE 21.786687850027203 1 1.0 0.0 4.24403999943479e-07 -7.615300001706515e-08 4.275470004699855e-07 -8.067199999683972e-08
shell4_X-1_Y1_Z4_mono0_fix1//test20tig_AVDZ_AVQZfit/ DONE 21.786691486353234 1 1.0 0.0 5.606000001989742e-07 -8.128700001996947e-08 5.597699939130507e-07 -9.076699997168092e-08
shell4_X1_Y4_Z-1_mono0_fix1//test20tig_AVDZ_AVQZfit/ DONE 21.786691486353234 1 1.0 0.0 5.606000001989742e-07 -8.128700001996947e-08 5.597699939130507e-07 -9.076699997168092e-08
shell4_X-4_Y1_Z-1_mono0_fix1//test20tig_AVDZ_AVQZfit/ DONE 21.786691486353234 1 1.0 0.0 5.606000001989742e-07 -8.128700001996947e-08 5.597699939130507e-07 -9.076699997168092e-08
shell4_X4_Y-1_Z1_mono0_fix1//test20tig_AVDZ_AVQZfit/ DONE 21.786691486353234 1 1.0 0.0 5.606000001989742e-07 -8.128700001996947e-08 5.597699939130507e-07 -9.076699997168092e-08
shell4_X1_Y-1_Z-4_mono0_fix1//test20tig_AVDZ_AVQZfit/ DONE 21.786691486353234 1 1.0 0.0 5.606000001989742e-07 -8.128700001996947e-08 5.597699939130507e-07 -9.076699997168092e-08
shell4_X-1_Y-4_Z1_mono0_fix1//test20tig_AVDZ_AVQZfit/ DONE 21.786691486353234 1 1.0 0.0 5.606000001989742e-07 -8.128700001996947e-08 5.597699939130507e-07 -9.076699997168092e-08
shell4_X-1_Y-1_Z-4_mono0_fix1//test20tig_AVDZ_AVQZfit/ DONE 21.791718478517385 1 1.0 0.0 -5.5179129958560225e-06 4.862619999435047e-07 -5.545477002044663e-06 5.543239999794558e-07
shell4_X-4_Y-1_Z-1_mono0_fix1//test20tig_AVDZ_AVQZfit/ DONE 21.791718478517385 1 1.0 0.0 -5.5179129958560225e-06 4.862619999435047e-07 -5.545477002044663e-06 5.543239999794558e-07
shell4_X1_Y1_Z4_mono0_fix1//test20tig_AVDZ_AVQZfit/ DONE 21.791718478517385 1 1.0 0.0 -5.5179129958560225e-06 4.862619999435047e-07 -5.545477002044663e-06 5.543239999794558e-07
shell4_X4_Y1_Z1_mono0_fix1//test20tig_AVDZ_AVQZfit/ DONE 21.791718478517385 1 1.0 0.0 -5.5179129958560225e-06 4.862619999435047e-07 -5.545477002044663e-06 5.543239999794558e-07
shell4_X1_Y4_Z1_mono0_fix1//test20tig_AVDZ_AVQZfit/ DONE 21.791718478517385 1 1.0 0.0 -5.5179129958560225e-06 4.862619999435047e-07 -5.545477002044663e-06 5.543239999794558e-07
shell4_X-1_Y-4_Z-1_mono0_fix1//test20tig_AVDZ_AVQZfit/ DONE 21.791718478517385 1 1.0 0.0 -5.5179129958560225e-06 4.862619999435047e-07 -5.545477002044663e-06 5.543239999794558e-07
shell4_X0_Y-4_Z-2_mono1_fix1//test20tig_AVDZ_AVQZfit/ DONE 21.967602537009114 1 1.0 0.0 8.17780199469098e-06 -6.761939999599953e-07 8.228073006932846e-06 -7.662119999862771e-07
shell4_X-1_Y-4_Z-2_mono1_fix1//test20tig_AVDZ_AVQZfit/ DONE 21.967602537009114 1 1.0 0.0 8.17780199469098e-06 -6.761939999599953e-07 8.228073006932846e-06 -7.662119999862771e-07
shell4_X-2_Y0_Z-4_mono2_fix1//test20tig_AVDZ_AVQZfit/ DONE 21.967602537009114 1 1.0 0.0 8.17780199469098e-06 -6.761939999599953e-07 8.228073006932846e-06 -7.662119999862771e-07
shell4_X-4_Y-2_Z0_mono3_fix1//test20tig_AVDZ_AVQZfit/ DONE 21.967602537009114 1 1.0 0.0 8.17780199469098e-06 -6.761939999599953e-07 8.228073006932846e-06 -7.662119999862771e-07
shell4_X-4_Y-2_Z-1_mono3_fix1//test20tig_AVDZ_AVQZfit/ DONE 21.967602537009114 1 1.0 0.0 8.17780199469098e-06 -6.761939999599953e-07 8.228073006932846e-06 -7.662119999862771e-07
shell4_X-2_Y-1_Z-4_mono2_fix1//test20tig_AVDZ_AVQZfit/ DONE 21.967602537009114 1 1.0 0.0 8.17780199469098e-06 -6.761939999599953e-07 8.228073006932846e-06 -7.662119999862771e-07
shell4_X-2_Y-4_Z1_mono3_fix1//test20tig_AVDZ_AVQZfit/ DONE 21.967956422885766 1 1.0 0.0 7.287832005431483e-06 -6.18793999984657e-07 7.331780999209059e-06 -7.000100000209564e-07
shell4_X-2_Y-2_Z-4_mono1_fix1//test20tig_AVDZ_AVQZfit/ DONE 21.967956422885766 1 1.0 0.0 7.287832005431483e-06 -6.18793999984657e-07 7.331780999209059e-06 -7.000100000209564e-07
shell4_X-4_Y-2_Z-2_mono2_fix1//test20tig_AVDZ_AVQZfit/ DONE 21.967956422885766 1 1.0 0.0 7.287832005431483e-06 -6.18793999984657e-07 7.331780999209059e-06 -7.000100000209564e-07
shell4_X1_Y-2_Z-4_mono1_fix1//test20tig_AVDZ_AVQZfit/ DONE 21.967956422885766 1 1.0 0.0 7.287832005431483e-06 -6.18793999984657e-07 7.331780999209059e-06 -7.000100000209564e-07
shell4_X-2_Y-4_Z-2_mono3_fix1//test20tig_AVDZ_AVQZfit/ DONE 21.967956422885766 1 1.0 0.0 7.287832005431483e-06 -6.18793999984657e-07 7.331780999209059e-06 -7.000100000209564e-07
shell4_X-4_Y1_Z-2_mono2_fix1//test20tig_AVDZ_AVQZfit/ DONE 21.967956422885766 1 1.0 0.0 7.287832005431483e-06 -6.18793999984657e-07 7.331780999209059e-06 -7.000100000209564e-07
shell4_X-1_Y-2_Z-4_mono2_fix1//test20tig_AVDZ_AVQZfit/ DONE 21.988041619044964 1 1.0 0.0 3.210370998374401e-06 -3.2479300005050504e-07 3.222905007760346e-06 -3.6691300001057137e-07
shell4_X-1_Y1_Z-4_mono2_fix1//test20tig_AVDZ_AVQZfit/ DONE 21.988041619044964 1 1.0 0.0 3.210370998374401e-06 -3.2479300005050504e-07 3.222905007760346e-06 -3.6691300001057137e-07
shell4_X-2_Y-4_Z-1_mono1_fix1//test20tig_AVDZ_AVQZfit/ DONE 21.988041619044964 1 1.0 0.0 3.210370998374401e-06 -3.2479300005050504e-07 3.222905007760346e-06 -3.6691300001057137e-07
shell4_X-4_Y-1_Z-2_mono3_fix1//test20tig_AVDZ_AVQZfit/ DONE 21.988041619044964 1 1.0 0.0 3.210370998374401e-06 -3.2479300005050504e-07 3.222905007760346e-06 -3.6691300001057137e-07
shell4_X1_Y-4_Z-1_mono1_fix1//test20tig_AVDZ_AVQZfit/ DONE 21.988041619044964 1 1.0 0.0 3.210370998374401e-06 -3.2479300005050504e-07 3.222905007760346e-06 -3.6691300001057137e-07
shell4_X-4_Y-1_Z1_mono3_fix1//test20tig_AVDZ_AVQZfit/ DONE 21.988041619044964 1 1.0 0.0 3.210370998374401e-06 -3.2479300005050504e-07 3.222905007760346e-06 -3.6691300001057137e-07
shell4_X-4_Y0_Z1_mono3_fix1//test20tig_AVDZ_AVQZfit/ DONE 22.00839852237589 1 1.0 0.0 3.3139699695539093e-07 -9.697300001887399e-08 3.2712699749026797e-07 -1.066930000181987e-07
shell4_X0_Y1_Z-4_mono2_fix1//test20tig_AVDZ_AVQZfit/ DONE 22.00839852237589 1 1.0 0.0 3.3139699695539093e-07 -9.697300001887399e-08 3.2712699749026797e-07 -1.066930000181987e-07
shell4_X0_Y-2_Z-4_mono2_fix1//test20tig_AVDZ_AVQZfit/ DONE 22.00839852237589 1 1.0 0.0 3.3139699695539093e-07 -9.697300001887399e-08 3.2712699749026797e-07 -1.066930000181987e-07
shell4_X1_Y-4_Z0_mono1_fix1//test20tig_AVDZ_AVQZfit/ DONE 22.00839852237589 1 1.0 0.0 3.3139699695539093e-07 -9.697300001887399e-08 3.2712699749026797e-07 -1.066930000181987e-07
shell4_X-2_Y-4_Z0_mono1_fix1//test20tig_AVDZ_AVQZfit/ DONE 22.00839852237589 1 1.0 0.0 3.3139699695539093e-07 -9.697300001887399e-08 3.2712699749026797e-07 -1.066930000181987e-07
shell4_X-4_Y0_Z-2_mono3_fix1//test20tig_AVDZ_AVQZfit/ DONE 22.00839852237589 1 1.0 0.0 3.3139699695539093e-07 -9.697300001887399e-08 3.2712699749026797e-07 -1.066930000181987e-07
shell4_X0_Y-4_Z2_mono3_fix1//test20tig_AVDZ_AVQZfit/ DONE 22.009274354695933 1 1.0 0.0 -1.1649569913174673e-06 1.5435999978219428e-08 -1.1781909918795463e-06 2.2232999996596448e-08
shell4_X-4_Y2_Z0_mono2_fix1//test20tig_AVDZ_AVQZfit/ DONE 22.009274354695933 1 1.0 0.0 -1.1649569913174673e-06 1.5435999978219428e-08 -1.1781909918795463e-06 2.2232999996596448e-08
shell4_X-4_Y-3_Z0_mono2_fix1//test20tig_AVDZ_AVQZfit/ DONE 22.009274354695933 1 1.0 0.0 -1.1649569913174673e-06 1.5435999978219428e-08 -1.1781909918795463e-06 2.2232999996596448e-08
shell4_X2_Y0_Z-4_mono1_fix1//test20tig_AVDZ_AVQZfit/ DONE 22.009274354695933 1 1.0 0.0 -1.1649569913174673e-06 1.5435999978219428e-08 -1.1781909918795463e-06 2.2232999996596448e-08
shell4_X-3_Y0_Z-4_mono1_fix1//test20tig_AVDZ_AVQZfit/ DONE 22.009274354695933 1 1.0 0.0 -1.1649569913174673e-06 1.5435999978219428e-08 -1.1781909918795463e-06 2.2232999996596448e-08
shell4_X0_Y-4_Z-3_mono3_fix1//test20tig_AVDZ_AVQZfit/ DONE 22.009274354695933 1 1.0 0.0 -1.1649569913174673e-06 1.5435999978219428e-08 -1.1781909918795463e-06 2.2232999996596448e-08
shell4_X-2_Y-4_Z-2_mono2_fix1//test20tig_AVDZ_AVQZfit/ DONE 22.010913012722458 1 1.0 0.0 -3.228719997139251e-06 1.8204199991878056e-07 -3.259278990697112e-06 2.0827200000739232e-07
shell4_X-2_Y-2_Z-4_mono3_fix1//test20tig_AVDZ_AVQZfit/ DONE 22.010913012722458 1 1.0 0.0 -3.228719997139251e-06 1.8204199991878056e-07 -3.259278990697112e-06 2.0827200000739232e-07
shell4_X-4_Y-2_Z-2_mono1_fix1//test20tig_AVDZ_AVQZfit/ DONE 22.010913012722458 1 1.0 0.0 -3.228719997139251e-06 1.8204199991878056e-07 -3.259278990697112e-06 2.0827200000739232e-07
shell4_X0_Y-4_Z1_mono1_fix1//test20tig_AVDZ_AVQZfit/ DONE 22.028648127259626 1 1.0 0.0 -7.873429979099456e-07 1.1598999982709302e-08 -7.950090008534971e-07 1.7611999997280137e-08
shell4_X1_Y-1_Z-4_mono2_fix1//test20tig_AVDZ_AVQZfit/ DONE 22.028648127259626 1 1.0 0.0 -7.873429979099456e-07 1.1598999982709302e-08 -7.950090008534971e-07 1.7611999997280137e-08
shell4_X-4_Y1_Z-1_mono3_fix1//test20tig_AVDZ_AVQZfit/ DONE 22.028648127259626 1 1.0 0.0 -7.873429979099456e-07 1.1598999982709302e-08 -7.950090008534971e-07 1.7611999997280137e-08
shell4_X1_Y0_Z-4_mono2_fix1//test20tig_AVDZ_AVQZfit/ DONE 22.028648127259626 1 1.0 0.0 -7.873429979099456e-07 1.1598999982709302e-08 -7.950090008534971e-07 1.7611999997280137e-08
shell4_X-1_Y-4_Z1_mono1_fix1//test20tig_AVDZ_AVQZfit/ DONE 22.028648127259626 1 1.0 0.0 -7.873429979099456e-07 1.1598999982709302e-08 -7.950090008534971e-07 1.7611999997280137e-08
shell4_X-4_Y1_Z0_mono3_fix1//test20tig_AVDZ_AVQZfit/ DONE 22.028648127259626 1 1.0 0.0 -7.873429979099456e-07 1.1598999982709302e-08 -7.950090008534971e-07 1.7611999997280137e-08
shell4_X0_Y-3_Z-4_mono3_fix1//test20tig_AVDZ_AVQZfit/ DONE 22.031608909745334 1 1.0 0.0 -4.84888900587066e-06 3.432439999451198e-07 -4.880488994274401e-06 3.9494900003211875e-07
shell4_X-3_Y-4_Z0_mono2_fix1//test20tig_AVDZ_AVQZfit/ DONE 22.031608909745334 1 1.0 0.0 -4.84888900587066e-06 3.432439999451198e-07 -4.880488994274401e-06 3.9494900003211875e-07
shell4_X-4_Y0_Z-3_mono1_fix1//test20tig_AVDZ_AVQZfit/ DONE 22.031608909745334 1 1.0 0.0 -4.84888900587066e-06 3.432439999451198e-07 -4.880488994274401e-06 3.9494900003211875e-07
shell4_X-4_Y-2_Z2_mono2_fix1//test20tig_AVDZ_AVQZfit/ DONE 22.050823864028697 1 1.0 0.0 -2.2600169984343665e-06 1.629879999853756e-07 -2.276504993403705e-06 1.865139999945864e-07
shell4_X2_Y-4_Z1_mono3_fix1//test20tig_AVDZ_AVQZfit/ DONE 22.050823864028697 1 1.0 0.0 -2.2600169984343665e-06 1.629879999853756e-07 -2.276504993403705e-06 1.865139999945864e-07
shell4_X-4_Y1_Z2_mono2_fix1//test20tig_AVDZ_AVQZfit/ DONE 22.050823864028697 1 1.0 0.0 -2.2600169984343665e-06 1.629879999853756e-07 -2.276504993403705e-06 1.865139999945864e-07
shell4_X1_Y2_Z-4_mono1_fix1//test20tig_AVDZ_AVQZfit/ DONE 22.050823864028697 1 1.0 0.0 -2.2600169984343665e-06 1.629879999853756e-07 -2.276504993403705e-06 1.865139999945864e-07
shell4_X-2_Y2_Z-4_mono1_fix1//test20tig_AVDZ_AVQZfit/ DONE 22.050823864028697 1 1.0 0.0 -2.2600169984343665e-06 1.629879999853756e-07 -2.276504993403705e-06 1.865139999945864e-07
shell4_X2_Y-4_Z-2_mono3_fix1//test20tig_AVDZ_AVQZfit/ DONE 22.050823864028697 1 1.0 0.0 -2.2600169984343665e-06 1.629879999853756e-07 -2.276504993403705e-06 1.865139999945864e-07
shell4_X-4_Y-2_Z1_mono1_fix1//test20tig_AVDZ_AVQZfit/ DONE 22.075136539967822 1 1.0 0.0 -5.3512179931658466e-06 4.7275699993631903e-07 -5.377841993947641e-06 5.391219999872909e-07
shell4_X1_Y-4_Z-2_mono2_fix1//test20tig_AVDZ_AVQZfit/ DONE 22.075136539967822 1 1.0 0.0 -5.3512179931658466e-06 4.7275699993631903e-07 -5.377841993947641e-06 5.391219999872909e-07
shell4_X-2_Y1_Z-4_mono3_fix1//test20tig_AVDZ_AVQZfit/ DONE 22.075136539967822 1 1.0 0.0 -5.3512179931658466e-06 4.7275699993631903e-07 -5.377841993947641e-06 5.391219999872909e-07
shell4_X2_Y-2_Z-4_mono3_fix1//test20tig_AVDZ_AVQZfit/ DONE 22.0971102519488 1 1.0 0.0 -4.686382993668303e-06 4.539650000356943e-07 -4.7062029935318606e-06 5.159099999985095e-07
shell4_X-2_Y-4_Z2_mono2_fix1//test20tig_AVDZ_AVQZfit/ DONE 22.0971102519488 1 1.0 0.0 -4.686382993668303e-06 4.539650000356943e-07 -4.7062029935318606e-06 5.159099999985095e-07
shell4_X-4_Y2_Z-2_mono1_fix1//test20tig_AVDZ_AVQZfit/ DONE 22.0971102519488 1 1.0 0.0 -4.686382993668303e-06 4.539650000356943e-07 -4.7062029935318606e-06 5.159099999985095e-07
shell4_X4_Y-2_Z0_mono3_fix1//test20tig_AVDZ_AVQZfit/ DONE 22.140566858020282 1 1.0 0.0 5.198510066861672e-07 -2.6443999989744782e-08 5.281269963575141e-07 -2.7544999975370743e-08
shell4_X4_Y-2_Z-1_mono3_fix1//test20tig_AVDZ_AVQZfit/ DONE 22.140566858020282 1 1.0 0.0 5.198510066861672e-07 -2.6443999989744782e-08 5.281269963575141e-07 -2.7544999975370743e-08
shell4_X0_Y4_Z-2_mono1_fix1//test20tig_AVDZ_AVQZfit/ DONE 22.140566858020282 1 1.0 0.0 5.198510066861672e-07 -2.6443999989744782e-08 5.281269963575141e-07 -2.7544999975370743e-08
shell4_X-1_Y4_Z-2_mono1_fix1//test20tig_AVDZ_AVQZfit/ DONE 22.140566858020282 1 1.0 0.0 5.198510066861672e-07 -2.6443999989744782e-08 5.281269963575141e-07 -2.7544999975370743e-08
shell4_X-2_Y0_Z4_mono2_fix1//test20tig_AVDZ_AVQZfit/ DONE 22.140566858020282 1 1.0 0.0 5.198510066861672e-07 -2.6443999989744782e-08 5.281269963575141e-07 -2.7544999975370743e-08
shell4_X-2_Y-1_Z4_mono2_fix1//test20tig_AVDZ_AVQZfit/ DONE 22.140566858020282 1 1.0 0.0 5.198510066861672e-07 -2.6443999989744782e-08 5.281269963575141e-07 -2.7544999975370743e-08
shell4_X0_Y2_Z-4_mono3_fix1//test20tig_AVDZ_AVQZfit/ DONE 22.143398508101885 1 1.0 0.0 -2.2499990066648934e-06 2.6706599998149727e-07 -2.2521239912975943e-06 3.0398000000486647e-07
shell4_X2_Y-4_Z0_mono2_fix1//test20tig_AVDZ_AVQZfit/ DONE 22.143398508101885 1 1.0 0.0 -2.2499990066648934e-06 2.6706599998149727e-07 -2.2521239912975943e-06 3.0398000000486647e-07
shell4_X-4_Y0_Z2_mono1_fix1//test20tig_AVDZ_AVQZfit/ DONE 22.143398508101885 1 1.0 0.0 -2.2499990066648934e-06 2.6706599998149727e-07 -2.2521239912975943e-06 3.0398000000486647e-07
shell4_X-1_Y-2_Z4_mono2_fix1//test20tig_AVDZ_AVQZfit/ DONE 22.164548127112944 1 1.0 0.0 1.6014960024790525e-06 -1.325770000448756e-07 1.6124280008966707e-06 -1.494240000343705e-07
shell4_X1_Y4_Z-1_mono1_fix1//test20tig_AVDZ_AVQZfit/ DONE 22.164548127112944 1 1.0 0.0 1.6014960024790525e-06 -1.325770000448756e-07 1.6124280008966707e-06 -1.494240000343705e-07
shell4_X-2_Y4_Z-1_mono1_fix1//test20tig_AVDZ_AVQZfit/ DONE 22.164548127112944 1 1.0 0.0 1.6014960024790525e-06 -1.325770000448756e-07 1.6124280008966707e-06 -1.494240000343705e-07
shell4_X4_Y-1_Z1_mono3_fix1//test20tig_AVDZ_AVQZfit/ DONE 22.164548127112944 1 1.0 0.0 1.6014960024790525e-06 -1.325770000448756e-07 1.6124280008966707e-06 -1.494240000343705e-07
shell4_X-1_Y1_Z4_mono2_fix1//test20tig_AVDZ_AVQZfit/ DONE 22.164548127112944 1 1.0 0.0 1.6014960024790525e-06 -1.325770000448756e-07 1.6124280008966707e-06 -1.494240000343705e-07
shell4_X4_Y-1_Z-2_mono3_fix1//test20tig_AVDZ_AVQZfit/ DONE 22.164548127112944 1 1.0 0.0 1.6014960024790525e-06 -1.325770000448756e-07 1.6124280008966707e-06 -1.494240000343705e-07
shell4_X1_Y-4_Z2_mono2_fix1//test20tig_AVDZ_AVQZfit/ DONE 22.166859847642336 1 1.0 0.0 -5.140200016739982e-07 1.0065199995690222e-07 -5.115300041325099e-07 1.1303600000456271e-07
shell4_X2_Y1_Z-4_mono3_fix1//test20tig_AVDZ_AVQZfit/ DONE 22.166859847642336 1 1.0 0.0 -5.140200016739982e-07 1.0065199995690222e-07 -5.115300041325099e-07 1.1303600000456271e-07
shell4_X-4_Y2_Z1_mono1_fix1//test20tig_AVDZ_AVQZfit/ DONE 22.166859847642336 1 1.0 0.0 -5.140200016739982e-07 1.0065199995690222e-07 -5.115300041325099e-07 1.1303600000456271e-07
shell4_X0_Y-2_Z4_mono2_fix1//test20tig_AVDZ_AVQZfit/ DONE 22.188588001038745 1 1.0 0.0 3.3169589954695766e-06 -3.255229999998832e-07 3.3317490064632693e-06 -3.678149999852831e-07
shell4_X1_Y4_Z0_mono1_fix1//test20tig_AVDZ_AVQZfit/ DONE 22.188588001038745 1 1.0 0.0 3.3169589954695766e-06 -3.255229999998832e-07 3.3317490064632693e-06 -3.678149999852831e-07
shell4_X-2_Y4_Z0_mono1_fix1//test20tig_AVDZ_AVQZfit/ DONE 22.188588001038745 1 1.0 0.0 3.3169589954695766e-06 -3.255229999998832e-07 3.3317490064632693e-06 -3.678149999852831e-07
shell4_X0_Y1_Z4_mono2_fix1//test20tig_AVDZ_AVQZfit/ DONE 22.188588001038745 1 1.0 0.0 3.3169589954695766e-06 -3.255229999998832e-07 3.3317490064632693e-06 -3.678149999852831e-07
shell4_X4_Y0_Z-2_mono3_fix1//test20tig_AVDZ_AVQZfit/ DONE 22.188588001038745 1 1.0 0.0 3.3169589954695766e-06 -3.255229999998832e-07 3.3317490064632693e-06 -3.678149999852831e-07
shell4_X4_Y0_Z1_mono3_fix1//test20tig_AVDZ_AVQZfit/ DONE 22.188588001038745 1 1.0 0.0 3.3169589954695766e-06 -3.255229999998832e-07 3.3317490064632693e-06 -3.678149999852831e-07
shell4_X1_Y0_Z4_mono2_fix1//test20tig_AVDZ_AVQZfit/ DONE 22.212659497111332 1 1.0 0.0 5.514748004031844e-06 -5.926760000551923e-07 5.533911000554781e-06 -6.690200000103452e-07
shell4_X1_Y-1_Z4_mono2_fix1//test20tig_AVDZ_AVQZfit/ DONE 22.212659497111332 1 1.0 0.0 5.514748004031844e-06 -5.926760000551923e-07 5.533911000554781e-06 -6.690200000103452e-07
shell4_X0_Y4_Z1_mono1_fix1//test20tig_AVDZ_AVQZfit/ DONE 22.212659497111332 1 1.0 0.0 5.514748004031844e-06 -5.926760000551923e-07 5.533911000554781e-06 -6.690200000103452e-07
shell4_X4_Y1_Z0_mono3_fix1//test20tig_AVDZ_AVQZfit/ DONE 22.212659497111332 1 1.0 0.0 5.514748004031844e-06 -5.926760000551923e-07 5.533911000554781e-06 -6.690200000103452e-07
shell4_X4_Y1_Z-1_mono3_fix1//test20tig_AVDZ_AVQZfit/ DONE 22.212659497111332 1 1.0 0.0 5.514748004031844e-06 -5.926760000551923e-07 5.533911000554781e-06 -6.690200000103452e-07
shell4_X-1_Y4_Z1_mono1_fix1//test20tig_AVDZ_AVQZfit/ DONE 22.212659497111332 1 1.0 0.0 5.514748004031844e-06 -5.926760000551923e-07 5.533911000554781e-06 -6.690200000103452e-07
shell4_X-3_Y-1_Z-4_mono1_fix1//test20tig_AVDZ_AVQZfit/ DONE 22.5791285142498 1 1.0 0.0 1.225033997798164e-06 -1.7428999998791994e-07 1.2262720119338155e-06 -1.9393799996492156e-07
shell4_X-1_Y-4_Z2_mono3_fix1//test20tig_AVDZ_AVQZfit/ DONE 22.5791285142498 1 1.0 0.0 1.225033997798164e-06 -1.7428999998791994e-07 1.2262720119338155e-06 -1.9393799996492156e-07
shell4_X2_Y-1_Z-4_mono1_fix1//test20tig_AVDZ_AVQZfit/ DONE 22.5791285142498 1 1.0 0.0 1.225033997798164e-06 -1.7428999998791994e-07 1.2262720119338155e-06 -1.9393799996492156e-07
shell4_X-4_Y-3_Z-1_mono2_fix1//test20tig_AVDZ_AVQZfit/ DONE 22.5791285142498 1 1.0 0.0 1.225033997798164e-06 -1.7428999998791994e-07 1.2262720119338155e-06 -1.9393799996492156e-07
shell4_X-4_Y2_Z-1_mono2_fix1//test20tig_AVDZ_AVQZfit/ DONE 22.5791285142498 1 1.0 0.0 1.225033997798164e-06 -1.7428999998791994e-07 1.2262720119338155e-06 -1.9393799996492156e-07
shell4_X-1_Y-4_Z-3_mono3_fix1//test20tig_AVDZ_AVQZfit/ DONE 22.5791285142498 1 1.0 0.0 1.225033997798164e-06 -1.7428999998791994e-07 1.2262720119338155e-06 -1.9393799996492156e-07
shell4_X-3_Y-4_Z-1_mono2_fix1//test20tig_AVDZ_AVQZfit/ DONE 22.60049825291147 1 1.0 0.0 -2.9878240042080506e-06 1.69977000030741e-07 -3.0124990004765095e-06 1.9695500000360688e-07
shell4_X-4_Y-1_Z-3_mono1_fix1//test20tig_AVDZ_AVQZfit/ DONE 22.60049825291147 1 1.0 0.0 -2.9878240042080506e-06 1.69977000030741e-07 -3.0124990004765095e-06 1.9695500000360688e-07
shell4_X-1_Y-3_Z-4_mono3_fix1//test20tig_AVDZ_AVQZfit/ DONE 22.60049825291147 1 1.0 0.0 -2.9878240042080506e-06 1.69977000030741e-07 -3.0124990004765095e-06 1.9695500000360688e-07
shell4_X1_Y-4_Z2_mono3_fix1//test20tig_AVDZ_AVQZfit/ DONE 22.61959994280345 1 1.0 0.0 -2.528730007611557e-06 1.6173500000382646e-07 -2.5473849873947074e-06 1.869869999948648e-07
shell4_X1_Y-4_Z-3_mono3_fix1//test20tig_AVDZ_AVQZfit/ DONE 22.61959994280345 1 1.0 0.0 -2.528730007611557e-06 1.6173500000382646e-07 -2.5473849873947074e-06 1.869869999948648e-07
shell4_X-4_Y2_Z1_mono2_fix1//test20tig_AVDZ_AVQZfit/ DONE 22.61959994280345 1 1.0 0.0 -2.528730007611557e-06 1.6173500000382646e-07 -2.5473849873947074e-06 1.869869999948648e-07
shell4_X2_Y1_Z-4_mono1_fix1//test20tig_AVDZ_AVQZfit/ DONE 22.61959994280345 1 1.0 0.0 -2.528730007611557e-06 1.6173500000382646e-07 -2.5473849873947074e-06 1.869869999948648e-07
shell4_X-3_Y1_Z-4_mono1_fix1//test20tig_AVDZ_AVQZfit/ DONE 22.61959994280345 1 1.0 0.0 -2.528730007611557e-06 1.6173500000382646e-07 -2.5473849873947074e-06 1.869869999948648e-07
shell4_X-4_Y-3_Z1_mono2_fix1//test20tig_AVDZ_AVQZfit/ DONE 22.61959994280345 1 1.0 0.0 -2.528730007611557e-06 1.6173500000382646e-07 -2.5473849873947074e-06 1.869869999948648e-07
shell4_X1_Y-3_Z-4_mono3_fix1//test20tig_AVDZ_AVQZfit/ DONE 22.641727608358195 1 1.0 0.0 -4.856914003426027e-06 3.9188399997280854e-07 -4.884062995813565e-06 4.4860599995866224e-07
shell4_X-4_Y1_Z-3_mono1_fix1//test20tig_AVDZ_AVQZfit/ DONE 22.641727608358195 1 1.0 0.0 -4.856914003426027e-06 3.9188399997280854e-07 -4.884062995813565e-06 4.4860599995866224e-07
shell4_X-3_Y-4_Z1_mono2_fix1//test20tig_AVDZ_AVQZfit/ DONE 22.641727608358195 1 1.0 0.0 -4.856914003426027e-06 3.9188399997280854e-07 -4.884062995813565e-06 4.4860599995866224e-07
shell4_X-1_Y2_Z-4_mono3_fix1//test20tig_AVDZ_AVQZfit/ DONE 22.707199095207603 1 1.0 0.0 -3.3129209953131067e-06 3.458269999812025e-07 -3.3222959956447085e-06 3.9383700001227595e-07
shell4_X2_Y-4_Z-1_mono2_fix1//test20tig_AVDZ_AVQZfit/ DONE 22.707199095207603 1 1.0 0.0 -3.3129209953131067e-06 3.458269999812025e-07 -3.3222959956447085e-06 3.9383700001227595e-07
shell4_X-4_Y-1_Z2_mono1_fix1//test20tig_AVDZ_AVQZfit/ DONE 22.707199095207603 1 1.0 0.0 -3.3129209953131067e-06 3.458269999812025e-07 -3.3222959956447085e-06 3.9383700001227595e-07
shell4_X1_Y2_Z-4_mono3_fix1//test20tig_AVDZ_AVQZfit/ DONE 22.752683358664626 1 1.0 0.0 -5.719950024740683e-07 9.962600000523736e-08 -5.685180042291904e-07 1.1327800003568811e-07
shell4_X2_Y-4_Z1_mono2_fix1//test20tig_AVDZ_AVQZfit/ DONE 22.752683358664626 1 1.0 0.0 -5.719950024740683e-07 9.962600000523736e-08 -5.685180042291904e-07 1.1327800003568811e-07
shell4_X-4_Y1_Z2_mono1_fix1//test20tig_AVDZ_AVQZfit/ DONE 22.752683358664626 1 1.0 0.0 -5.719950024740683e-07 9.962600000523736e-08 -5.685180042291904e-07 1.1327800003568811e-07
shell4_X0_Y2_Z-4_mono0_fix1//test20tig_AVDZ_AVQZfit/ DONE 22.96013102285443 1 1.0 0.0 3.7290439962589517e-06 -3.5297699996217347e-07 3.747591001967976e-06 -3.984620000063721e-07
shell4_X0_Y-2_Z4_mono0_fix1//test20tig_AVDZ_AVQZfit/ DONE 22.96013102285443 1 1.0 0.0 3.7290439962589517e-06 -3.5297699996217347e-07 3.747591001967976e-06 -3.984620000063721e-07
shell4_X-2_Y4_Z0_mono0_fix1//test20tig_AVDZ_AVQZfit/ DONE 22.96013102285443 1 1.0 0.0 3.7290439962589517e-06 -3.5297699996217347e-07 3.747591001967976e-06 -3.984620000063721e-07
shell4_X-4_Y0_Z2_mono0_fix1//test20tig_AVDZ_AVQZfit/ DONE 22.96013102285443 1 1.0 0.0 3.7290439962589517e-06 -3.5297699996217347e-07 3.747591001967976e-06 -3.984620000063721e-07
shell4_X4_Y0_Z-2_mono0_fix1//test20tig_AVDZ_AVQZfit/ DONE 22.96013102285443 1 1.0 0.0 3.7290439962589517e-06 -3.5297699996217347e-07 3.747591001967976e-06 -3.984620000063721e-07
shell4_X2_Y-4_Z0_mono0_fix1//test20tig_AVDZ_AVQZfit/ DONE 22.96013102285443 1 1.0 0.0 3.7290439962589517e-06 -3.5297699996217347e-07 3.747591001967976e-06 -3.984620000063721e-07
shell4_X-4_Y2_Z0_mono0_fix1//test20tig_AVDZ_AVQZfit/ DONE 22.960133064973142 1 1.0 0.0 3.7956880021283723e-06 -3.55515000050044e-07 3.8123529932931888e-06 -4.034270000008444e-07
shell4_X4_Y-2_Z0_mono0_fix1//test20tig_AVDZ_AVQZfit/ DONE 22.960133064973142 1 1.0 0.0 3.7956880021283723e-06 -3.55515000050044e-07 3.8123529932931888e-06 -4.034270000008444e-07
shell4_X0_Y4_Z-2_mono0_fix1//test20tig_AVDZ_AVQZfit/ DONE 22.960133064973142 1 1.0 0.0 3.7956880021283723e-06 -3.55515000050044e-07 3.8123529932931888e-06 -4.034270000008444e-07
shell4_X2_Y0_Z-4_mono0_fix1//test20tig_AVDZ_AVQZfit/ DONE 22.960133064973142 1 1.0 0.0 3.7956880021283723e-06 -3.55515000050044e-07 3.8123529932931888e-06 -4.034270000008444e-07
shell4_X0_Y-4_Z2_mono0_fix1//test20tig_AVDZ_AVQZfit/ DONE 22.960133064973142 1 1.0 0.0 3.7956880021283723e-06 -3.55515000050044e-07 3.8123529932931888e-06 -4.034270000008444e-07
shell4_X-2_Y0_Z4_mono0_fix1//test20tig_AVDZ_AVQZfit/ DONE 22.960133064973142 1 1.0 0.0 3.7956880021283723e-06 -3.55515000050044e-07 3.8123529932931888e-06 -4.034270000008444e-07
shell4_X0_Y4_Z2_mono0_fix1//test20tig_AVDZ_AVQZfit/ DONE 22.967010592577715 1 1.0 0.0 -3.830993009046324e-06 3.303109999963638e-07 -3.84950900667036e-06 3.7803499999822243e-07
shell4_X-2_Y0_Z-4_mono0_fix1//test20tig_AVDZ_AVQZfit/ DONE 22.967010592577715 1 1.0 0.0 -3.830993009046324e-06 3.303109999963638e-07 -3.84950900667036e-06 3.7803499999822243e-07
shell4_X2_Y0_Z4_mono0_fix1//test20tig_AVDZ_AVQZfit/ DONE 22.967010592577715 1 1.0 0.0 -3.830993009046324e-06 3.303109999963638e-07 -3.84950900667036e-06 3.7803499999822243e-07
shell4_X0_Y-4_Z-2_mono0_fix1//test20tig_AVDZ_AVQZfit/ DONE 22.967010592577715 1 1.0 0.0 -3.830993009046324e-06 3.303109999963638e-07 -3.84950900667036e-06 3.7803499999822243e-07
shell4_X-4_Y-2_Z0_mono0_fix1//test20tig_AVDZ_AVQZfit/ DONE 22.967010592577715 1 1.0 0.0 -3.830993009046324e-06 3.303109999963638e-07 -3.84950900667036e-06 3.7803499999822243e-07
shell4_X4_Y2_Z0_mono0_fix1//test20tig_AVDZ_AVQZfit/ DONE 22.967010592577715 1 1.0 0.0 -3.830993009046324e-06 3.303109999963638e-07 -3.84950900667036e-06 3.7803499999822243e-07
shell4_X0_Y-2_Z-4_mono0_fix1//test20tig_AVDZ_AVQZfit/ DONE 22.9670125946901 1 1.0 0.0 -3.7623469992809078e-06 3.2770899999201575e-07 -3.7829209986739443e-06 3.729560000276244e-07
shell4_X0_Y2_Z4_mono0_fix1//test20tig_AVDZ_AVQZfit/ DONE 22.9670125946901 1 1.0 0.0 -3.7623469992809078e-06 3.2770899999201575e-07 -3.7829209986739443e-06 3.729560000276244e-07
shell4_X-2_Y-4_Z0_mono0_fix1//test20tig_AVDZ_AVQZfit/ DONE 22.9670125946901 1 1.0 0.0 -3.7623469992809078e-06 3.2770899999201575e-07 -3.7829209986739443e-06 3.729560000276244e-07
shell4_X2_Y4_Z0_mono0_fix1//test20tig_AVDZ_AVQZfit/ DONE 22.9670125946901 1 1.0 0.0 -3.7623469992809078e-06 3.2770899999201575e-07 -3.7829209986739443e-06 3.729560000276244e-07
shell4_X4_Y0_Z2_mono0_fix1//test20tig_AVDZ_AVQZfit/ DONE 22.9670125946901 1 1.0 0.0 -3.7623469992809078e-06 3.2770899999201575e-07 -3.7829209986739443e-06 3.729560000276244e-07
shell4_X-4_Y0_Z-2_mono0_fix1//test20tig_AVDZ_AVQZfit/ DONE 22.9670125946901 1 1.0 0.0 -3.7623469992809078e-06 3.2770899999201575e-07 -3.7829209986739443e-06 3.729560000276244e-07
shell4_X-2_Y1_Z-4_mono2_fix1//test20tig_AVDZ_AVQZfit/ DONE 23.134557134930226 1 1.0 0.0 5.254543005150936e-06 -4.585319999805826e-07 5.2827559997581375e-06 -5.200070000155321e-07
shell4_X-2_Y-4_Z-2_mono1_fix1//test20tig_AVDZ_AVQZfit/ DONE 23.134557134930226 1 1.0 0.0 5.254543005150936e-06 -4.585319999805826e-07 5.2827559997581375e-06 -5.200070000155321e-07
shell4_X1_Y-4_Z-2_mono1_fix1//test20tig_AVDZ_AVQZfit/ DONE 23.134557134930226 1 1.0 0.0 5.254543005150936e-06 -4.585319999805826e-07 5.2827559997581375e-06 -5.200070000155321e-07
shell4_X-4_Y-2_Z-2_mono3_fix1//test20tig_AVDZ_AVQZfit/ DONE 23.134557134930226 1 1.0 0.0 5.254543005150936e-06 -4.585319999805826e-07 5.2827559997581375e-06 -5.200070000155321e-07
shell4_X-2_Y-2_Z-4_mono2_fix1//test20tig_AVDZ_AVQZfit/ DONE 23.134557134930226 1 1.0 0.0 5.254543005150936e-06 -4.585319999805826e-07 5.2827559997581375e-06 -5.200070000155321e-07
shell4_X-4_Y-2_Z1_mono3_fix1//test20tig_AVDZ_AVQZfit/ DONE 23.134557134930226 1 1.0 0.0 5.254543005150936e-06 -4.585319999805826e-07 5.2827559997581375e-06 -5.200070000155321e-07
shell4_X-2_Y-4_Z1_mono1_fix1//test20tig_AVDZ_AVQZfit/ DONE 23.193140431791317 1 1.0 0.0 -1.2781720002408292e-06 6.560600002147865e-08 -1.288560000034522e-06 7.731300000202168e-08
shell4_X-4_Y1_Z-2_mono3_fix1//test20tig_AVDZ_AVQZfit/ DONE 23.193140431791317 1 1.0 0.0 -1.2781720002408292e-06 6.560600002147865e-08 -1.288560000034522e-06 7.731300000202168e-08
shell4_X1_Y1_Z-4_mono2_fix1//test20tig_AVDZ_AVQZfit/ DONE 23.193140431791317 1 1.0 0.0 -1.2781720002408292e-06 6.560600002147865e-08 -1.288560000034522e-06 7.731300000202168e-08
shell4_X1_Y-2_Z-4_mono2_fix1//test20tig_AVDZ_AVQZfit/ DONE 23.193140431791317 1 1.0 0.0 -1.2781720002408292e-06 6.560600002147865e-08 -1.288560000034522e-06 7.731300000202168e-08
shell4_X1_Y-4_Z1_mono1_fix1//test20tig_AVDZ_AVQZfit/ DONE 23.193140431791317 1 1.0 0.0 -1.2781720002408292e-06 6.560600002147865e-08 -1.288560000034522e-06 7.731300000202168e-08
shell4_X-4_Y1_Z1_mono3_fix1//test20tig_AVDZ_AVQZfit/ DONE 23.193140431791317 1 1.0 0.0 -1.2781720002408292e-06 6.560600002147865e-08 -1.288560000034522e-06 7.731300000202168e-08
shell4_X0_Y-1_Z4_mono3_fix1//test20tig_AVDZ_AVQZfit/ DONE 23.238131244282606 1 1.0 0.0 -6.014710997703787e-06 5.462029999958595e-07 -6.04472099752229e-06 6.206230000194157e-07
shell4_X-1_Y4_Z0_mono2_fix1//test20tig_AVDZ_AVQZfit/ DONE 23.238131244282606 1 1.0 0.0 -6.014710997703787e-06 5.462029999958595e-07 -6.04472099752229e-06 6.206230000194157e-07
shell4_X4_Y0_Z-1_mono1_fix1//test20tig_AVDZ_AVQZfit/ DONE 23.238131244282606 1 1.0 0.0 -6.014710997703787e-06 5.462029999958595e-07 -6.04472099752229e-06 6.206230000194157e-07
shell4_X4_Y0_Z0_mono1_fix1//test20tig_AVDZ_AVQZfit/ DONE 23.259387659843764 1 1.0 0.0 -5.423110003732745e-06 5.281440000337589e-07 -5.446397992159291e-06 5.99363999986835e-07
shell4_X0_Y0_Z4_mono3_fix1//test20tig_AVDZ_AVQZfit/ DONE 23.259387659843764 1 1.0 0.0 -5.423110003732745e-06 5.281440000337589e-07 -5.446397992159291e-06 5.99363999986835e-07
shell4_X0_Y4_Z0_mono2_fix1//test20tig_AVDZ_AVQZfit/ DONE 23.259387659843764 1 1.0 0.0 -5.423110003732745e-06 5.281440000337589e-07 -5.446397992159291e-06 5.99363999986835e-07
shell4_X-2_Y4_Z-2_mono1_fix1//test20tig_AVDZ_AVQZfit/ DONE 23.299298007678335 1 1.0 0.0 -6.271299923810147e-08 2.9811000001878085e-08 -5.8871002295290964e-08 3.495499997785423e-08
shell4_X4_Y-2_Z1_mono3_fix1//test20tig_AVDZ_AVQZfit/ DONE 23.299298007678335 1 1.0 0.0 -6.271299923810147e-08 2.9811000001878085e-08 -5.8871002295290964e-08 3.495499997785423e-08
shell4_X1_Y4_Z-2_mono1_fix1//test20tig_AVDZ_AVQZfit/ DONE 23.299298007678335 1 1.0 0.0 -6.271299923810147e-08 2.9811000001878085e-08 -5.8871002295290964e-08 3.495499997785423e-08
shell4_X-2_Y1_Z4_mono2_fix1//test20tig_AVDZ_AVQZfit/ DONE 23.299298007678335 1 1.0 0.0 -6.271299923810147e-08 2.9811000001878085e-08 -5.8871002295290964e-08 3.495499997785423e-08
shell4_X-2_Y-2_Z4_mono2_fix1//test20tig_AVDZ_AVQZfit/ DONE 23.299298007678335 1 1.0 0.0 -6.271299923810147e-08 2.9811000001878085e-08 -5.8871002295290964e-08 3.495499997785423e-08
shell4_X4_Y-2_Z-2_mono3_fix1//test20tig_AVDZ_AVQZfit/ DONE 23.299298007678335 1 1.0 0.0 -6.271299923810147e-08 2.9811000001878085e-08 -5.8871002295290964e-08 3.495499997785423e-08
shell4_X-1_Y0_Z4_mono1_fix1//test20tig_AVDZ_AVQZfit/ DONE 23.343931268499166 1 1.0 0.0 2.8893450050304637e-06 -2.783449999932408e-07 2.9017739962000633e-06 -3.1544500003755083e-07
shell4_X0_Y0_Z4_mono1_fix1//test20tig_AVDZ_AVQZfit/ DONE 23.343931268499166 1 1.0 0.0 2.8893450050304637e-06 -2.783449999932408e-07 2.9017739962000633e-06 -3.1544500003755083e-07
shell4_X0_Y4_Z0_mono3_fix1//test20tig_AVDZ_AVQZfit/ DONE 23.343931268499166 1 1.0 0.0 2.8893450050304637e-06 -2.783449999932408e-07 2.9017739962000633e-06 -3.1544500003755083e-07
shell4_X4_Y0_Z0_mono2_fix1//test20tig_AVDZ_AVQZfit/ DONE 23.343931268499166 1 1.0 0.0 2.8893450050304637e-06 -2.783449999932408e-07 2.9017739962000633e-06 -3.1544500003755083e-07
shell4_X4_Y-1_Z0_mono2_fix1//test20tig_AVDZ_AVQZfit/ DONE 23.343931268499166 1 1.0 0.0 2.8893450050304637e-06 -2.783449999932408e-07 2.9017739962000633e-06 -3.1544500003755083e-07
shell4_X0_Y4_Z-1_mono3_fix1//test20tig_AVDZ_AVQZfit/ DONE 23.343931268499166 1 1.0 0.0 2.8893450050304637e-06 -2.783449999932408e-07 2.9017739962000633e-06 -3.1544500003755083e-07
shell4_X1_Y4_Z1_mono1_fix1//test20tig_AVDZ_AVQZfit/ DONE 23.367354534024532 1 1.0 0.0 4.037294011993708e-06 -4.201340000342668e-07 4.052202008608674e-06 -4.749180000096498e-07
shell4_X1_Y1_Z4_mono2_fix1//test20tig_AVDZ_AVQZfit/ DONE 23.367354534024532 1 1.0 0.0 4.037294011993708e-06 -4.201340000342668e-07 4.052202008608674e-06 -4.749180000096498e-07
shell4_X1_Y-2_Z4_mono2_fix1//test20tig_AVDZ_AVQZfit/ DONE 23.367354534024532 1 1.0 0.0 4.037294011993708e-06 -4.201340000342668e-07 4.052202008608674e-06 -4.749180000096498e-07
shell4_X-2_Y4_Z1_mono1_fix1//test20tig_AVDZ_AVQZfit/ DONE 23.367354534024532 1 1.0 0.0 4.037294011993708e-06 -4.201340000342668e-07 4.052202008608674e-06 -4.749180000096498e-07
shell4_X4_Y1_Z1_mono3_fix1//test20tig_AVDZ_AVQZfit/ DONE 23.367354534024532 1 1.0 0.0 4.037294011993708e-06 -4.201340000342668e-07 4.052202008608674e-06 -4.749180000096498e-07
shell4_X4_Y1_Z-2_mono3_fix1//test20tig_AVDZ_AVQZfit/ DONE 23.367354534024532 1 1.0 0.0 4.037294011993708e-06 -4.201340000342668e-07 4.052202008608674e-06 -4.749180000096498e-07
shell4_X1_Y2_Z-4_mono0_fix1//test20tig_AVDZ_AVQZfit/ DONE 23.525720095114902 1 1.0 0.0 4.18458300543989e-06 -3.8676399999326705e-07 4.204618996084264e-06 -4.3854000000842497e-07
shell4_X-4_Y1_Z2_mono0_fix1//test20tig_AVDZ_AVQZfit/ DONE 23.525720095114902 1 1.0 0.0 4.18458300543989e-06 -3.8676399999326705e-07 4.204618996084264e-06 -4.3854000000842497e-07
shell4_X4_Y-1_Z-2_mono0_fix1//test20tig_AVDZ_AVQZfit/ DONE 23.525720095114902 1 1.0 0.0 4.18458300543989e-06 -3.8676399999326705e-07 4.204618996084264e-06 -4.3854000000842497e-07
shell4_X-1_Y-2_Z4_mono0_fix1//test20tig_AVDZ_AVQZfit/ DONE 23.525720095114902 1 1.0 0.0 4.18458300543989e-06 -3.8676399999326705e-07 4.204618996084264e-06 -4.3854000000842497e-07
shell4_X2_Y-4_Z1_mono0_fix1//test20tig_AVDZ_AVQZfit/ DONE 23.525720095114902 1 1.0 0.0 4.18458300543989e-06 -3.8676399999326705e-07 4.204618996084264e-06 -4.3854000000842497e-07
shell4_X-2_Y4_Z-1_mono0_fix1//test20tig_AVDZ_AVQZfit/ DONE 23.525720095114902 1 1.0 0.0 4.18458300543989e-06 -3.8676399999326705e-07 4.204618996084264e-06 -4.3854000000842497e-07
shell4_X4_Y-2_Z-1_mono0_fix1//test20tig_AVDZ_AVQZfit/ DONE 23.525720656803525 1 1.0 0.0 4.200781006602483e-06 -3.876140000080852e-07 4.220381008224194e-06 -4.3975900002046764e-07
shell4_X-1_Y4_Z-2_mono0_fix1//test20tig_AVDZ_AVQZfit/ DONE 23.525720656803525 1 1.0 0.0 4.200781006602483e-06 -3.876140000080852e-07 4.220381008224194e-06 -4.3975900002046764e-07
shell4_X1_Y-4_Z2_mono0_fix1//test20tig_AVDZ_AVQZfit/ DONE 23.525720656803525 1 1.0 0.0 4.200781006602483e-06 -3.876140000080852e-07 4.220381008224194e-06 -4.3975900002046764e-07
shell4_X-2_Y-1_Z4_mono0_fix1//test20tig_AVDZ_AVQZfit/ DONE 23.525720656803525 1 1.0 0.0 4.200781006602483e-06 -3.876140000080852e-07 4.220381008224194e-06 -4.3975900002046764e-07
shell4_X2_Y1_Z-4_mono0_fix1//test20tig_AVDZ_AVQZfit/ DONE 23.525720656803525 1 1.0 0.0 4.200781006602483e-06 -3.876140000080852e-07 4.220381008224194e-06 -4.3975900002046764e-07
shell4_X-4_Y2_Z1_mono0_fix1//test20tig_AVDZ_AVQZfit/ DONE 23.525720656803525 1 1.0 0.0 4.200781006602483e-06 -3.876140000080852e-07 4.220381008224194e-06 -4.3975900002046764e-07
shell4_X-1_Y2_Z-4_mono0_fix1//test20tig_AVDZ_AVQZfit/ DONE 23.527320276950398 1 1.0 0.0 2.4050549995990878e-06 -2.3773999996423711e-07 2.417707996471563e-06 -2.666980000176622e-07
shell4_X1_Y-2_Z4_mono0_fix1//test20tig_AVDZ_AVQZfit/ DONE 23.527320276950398 1 1.0 0.0 2.4050549995990878e-06 -2.3773999996423711e-07 2.417707996471563e-06 -2.666980000176622e-07
shell4_X2_Y-4_Z-1_mono0_fix1//test20tig_AVDZ_AVQZfit/ DONE 23.527320276950398 1 1.0 0.0 2.4050549995990878e-06 -2.3773999996423711e-07 2.417707996471563e-06 -2.666980000176622e-07
shell4_X-4_Y-1_Z2_mono0_fix1//test20tig_AVDZ_AVQZfit/ DONE 23.527320276950398 1 1.0 0.0 2.4050549995990878e-06 -2.3773999996423711e-07 2.417707996471563e-06 -2.666980000176622e-07
shell4_X4_Y1_Z-2_mono0_fix1//test20tig_AVDZ_AVQZfit/ DONE 23.527320276950398 1 1.0 0.0 2.4050549995990878e-06 -2.3773999996423711e-07 2.417707996471563e-06 -2.666980000176622e-07
shell4_X-2_Y4_Z1_mono0_fix1//test20tig_AVDZ_AVQZfit/ DONE 23.527320276950398 1 1.0 0.0 2.4050549995990878e-06 -2.3773999996423711e-07 2.417707996471563e-06 -2.666980000176622e-07
shell4_X-1_Y-4_Z2_mono0_fix1//test20tig_AVDZ_AVQZfit/ DONE 23.527323130280962 1 1.0 0.0 2.4967079994553387e-06 -2.411510000577266e-07 2.5067140043688596e-06 -2.7349999998094177e-07
shell4_X1_Y4_Z-2_mono0_fix1//test20tig_AVDZ_AVQZfit/ DONE 23.527323130280962 1 1.0 0.0 2.4967079994553387e-06 -2.411510000577266e-07 2.5067140043688596e-06 -2.7349999998094177e-07
shell4_X-2_Y1_Z4_mono0_fix1//test20tig_AVDZ_AVQZfit/ DONE 23.527323130280962 1 1.0 0.0 2.4967079994553387e-06 -2.411510000577266e-07 2.5067140043688596e-06 -2.7349999998094177e-07
shell4_X2_Y-1_Z-4_mono0_fix1//test20tig_AVDZ_AVQZfit/ DONE 23.527323130280962 1 1.0 0.0 2.4967079994553387e-06 -2.411510000577266e-07 2.5067140043688596e-06 -2.7349999998094177e-07
shell4_X-4_Y2_Z-1_mono0_fix1//test20tig_AVDZ_AVQZfit/ DONE 23.527323130280962 1 1.0 0.0 2.4967079994553387e-06 -2.411510000577266e-07 2.5067140043688596e-06 -2.7349999998094177e-07
shell4_X4_Y-2_Z1_mono0_fix1//test20tig_AVDZ_AVQZfit/ DONE 23.527323130280962 1 1.0 0.0 2.4967079994553387e-06 -2.411510000577266e-07 2.5067140043688596e-06 -2.7349999998094177e-07
shell4_X-2_Y1_Z-4_mono0_fix1//test20tig_AVDZ_AVQZfit/ DONE 23.53051892326126 1 1.0 0.0 -9.693030023072424e-07 6.292499998838963e-08 -9.73303997398034e-07 7.539900001574118e-08
shell4_X-1_Y4_Z2_mono0_fix1//test20tig_AVDZ_AVQZfit/ DONE 23.53051892326126 1 1.0 0.0 -9.693030023072424e-07 6.292499998838963e-08 -9.73303997398034e-07 7.539900001574118e-08
shell4_X1_Y-4_Z-2_mono0_fix1//test20tig_AVDZ_AVQZfit/ DONE 23.53051892326126 1 1.0 0.0 -9.693030023072424e-07 6.292499998838963e-08 -9.73303997398034e-07 7.539900001574118e-08
shell4_X2_Y-1_Z4_mono0_fix1//test20tig_AVDZ_AVQZfit/ DONE 23.53051892326126 1 1.0 0.0 -9.693030023072424e-07 6.292499998838963e-08 -9.73303997398034e-07 7.539900001574118e-08
shell4_X-4_Y-2_Z1_mono0_fix1//test20tig_AVDZ_AVQZfit/ DONE 23.53051892326126 1 1.0 0.0 -9.693030023072424e-07 6.292499998838963e-08 -9.73303997398034e-07 7.539900001574118e-08
shell4_X4_Y2_Z-1_mono0_fix1//test20tig_AVDZ_AVQZfit/ DONE 23.53051892326126 1 1.0 0.0 -9.693030023072424e-07 6.292499998838963e-08 -9.73303997398034e-07 7.539900001574118e-08
shell4_X1_Y-2_Z-4_mono0_fix1//test20tig_AVDZ_AVQZfit/ DONE 23.53052155681087 1 1.0 0.0 -8.836409932655442e-07 5.966099997367635e-08 -8.901689980689298e-07 6.905699997949988e-08
shell4_X-4_Y1_Z-2_mono0_fix1//test20tig_AVDZ_AVQZfit/ DONE 23.53052155681087 1 1.0 0.0 -8.836409932655442e-07 5.966099997367635e-08 -8.901689980689298e-07 6.905699997949988e-08
shell4_X4_Y-1_Z2_mono0_fix1//test20tig_AVDZ_AVQZfit/ DONE 23.53052155681087 1 1.0 0.0 -8.836409932655442e-07 5.966099997367635e-08 -8.901689980689298e-07 6.905699997949988e-08
shell4_X-1_Y2_Z4_mono0_fix1//test20tig_AVDZ_AVQZfit/ DONE 23.53052155681087 1 1.0 0.0 -8.836409932655442e-07 5.966099997367635e-08 -8.901689980689298e-07 6.905699997949988e-08
shell4_X-2_Y-4_Z1_mono0_fix1//test20tig_AVDZ_AVQZfit/ DONE 23.53052155681087 1 1.0 0.0 -8.836409932655442e-07 5.966099997367635e-08 -8.901689980689298e-07 6.905699997949988e-08
shell4_X2_Y4_Z-1_mono0_fix1//test20tig_AVDZ_AVQZfit/ DONE 23.53052155681087 1 1.0 0.0 -8.836409932655442e-07 5.966099997367635e-08 -8.901689980689298e-07 6.905699997949988e-08
shell4_X4_Y2_Z1_mono0_fix1//test20tig_AVDZ_AVQZfit/ DONE 23.53530764619392 1 1.0 0.0 -5.745167001691698e-06 5.260309999810531e-07 -5.773737989045458e-06 5.971760000111903e-07
shell4_X-1_Y-4_Z-2_mono0_fix1//test20tig_AVDZ_AVQZfit/ DONE 23.53530764619392 1 1.0 0.0 -5.745167001691698e-06 5.260309999810531e-07 -5.773737989045458e-06 5.971760000111903e-07
shell4_X-2_Y-1_Z-4_mono0_fix1//test20tig_AVDZ_AVQZfit/ DONE 23.53530764619392 1 1.0 0.0 -5.745167001691698e-06 5.260309999810531e-07 -5.773737989045458e-06 5.971760000111903e-07
shell4_X2_Y1_Z4_mono0_fix1//test20tig_AVDZ_AVQZfit/ DONE 23.53530764619392 1 1.0 0.0 -5.745167001691698e-06 5.260309999810531e-07 -5.773737989045458e-06 5.971760000111903e-07
shell4_X-4_Y-2_Z-1_mono0_fix1//test20tig_AVDZ_AVQZfit/ DONE 23.53530764619392 1 1.0 0.0 -5.745167001691698e-06 5.260309999810531e-07 -5.773737989045458e-06 5.971760000111903e-07
shell4_X1_Y4_Z2_mono0_fix1//test20tig_AVDZ_AVQZfit/ DONE 23.53530764619392 1 1.0 0.0 -5.745167001691698e-06 5.260309999810531e-07 -5.773737989045458e-06 5.971760000111903e-07
shell4_X-4_Y-1_Z-2_mono0_fix1//test20tig_AVDZ_AVQZfit/ DONE 23.535308384638235 1 1.0 0.0 -5.720947996223913e-06 5.24989999972636e-07 -5.75025499927051e-06 5.953840000183508e-07
shell4_X2_Y4_Z1_mono0_fix1//test20tig_AVDZ_AVQZfit/ DONE 23.535308384638235 1 1.0 0.0 -5.720947996223913e-06 5.24989999972636e-07 -5.75025499927051e-06 5.953840000183508e-07
shell4_X4_Y1_Z2_mono0_fix1//test20tig_AVDZ_AVQZfit/ DONE 23.535308384638235 1 1.0 0.0 -5.720947996223913e-06 5.24989999972636e-07 -5.75025499927051e-06 5.953840000183508e-07
shell4_X-1_Y-2_Z-4_mono0_fix1//test20tig_AVDZ_AVQZfit/ DONE 23.535308384638235 1 1.0 0.0 -5.720947996223913e-06 5.24989999972636e-07 -5.75025499927051e-06 5.953840000183508e-07
shell4_X1_Y2_Z4_mono0_fix1//test20tig_AVDZ_AVQZfit/ DONE 23.535308384638235 1 1.0 0.0 -5.720947996223913e-06 5.24989999972636e-07 -5.75025499927051e-06 5.953840000183508e-07
shell4_X-2_Y-4_Z-1_mono0_fix1//test20tig_AVDZ_AVQZfit/ DONE 23.535308384638235 1 1.0 0.0 -5.720947996223913e-06 5.24989999972636e-07 -5.75025499927051e-06 5.953840000183508e-07
shell4_X-3_Y-4_Z0_mono3_fix1//test20tig_AVDZ_AVQZfit/ DONE 23.677388549091695 1 1.0 0.0 8.60796799884156e-06 -6.818899999649908e-07 8.6645789991735e-06 -7.730330000010888e-07
shell4_X0_Y-3_Z-4_mono1_fix1//test20tig_AVDZ_AVQZfit/ DONE 23.677388549091695 1 1.0 0.0 8.60796799884156e-06 -6.818899999649908e-07 8.6645789991735e-06 -7.730330000010888e-07
shell4_X-1_Y-3_Z-4_mono1_fix1//test20tig_AVDZ_AVQZfit/ DONE 23.677388549091695 1 1.0 0.0 8.60796799884156e-06 -6.818899999649908e-07 8.6645789991735e-06 -7.730330000010888e-07
shell4_X-3_Y-4_Z-1_mono3_fix1//test20tig_AVDZ_AVQZfit/ DONE 23.677388549091695 1 1.0 0.0 8.60796799884156e-06 -6.818899999649908e-07 8.6645789991735e-06 -7.730330000010888e-07
shell4_X-4_Y-1_Z-3_mono2_fix1//test20tig_AVDZ_AVQZfit/ DONE 23.677388549091695 1 1.0 0.0 8.60796799884156e-06 -6.818899999649908e-07 8.6645789991735e-06 -7.730330000010888e-07
shell4_X-4_Y0_Z-3_mono2_fix1//test20tig_AVDZ_AVQZfit/ DONE 23.677388549091695 1 1.0 0.0 8.60796799884156e-06 -6.818899999649908e-07 8.6645789991735e-06 -7.730330000010888e-07
shell4_X-3_Y-1_Z-4_mono3_fix1//test20tig_AVDZ_AVQZfit/ DONE 23.736331546893048 1 1.0 0.0 -2.3657960070977424e-06 1.436459999837325e-07 -2.387991003161005e-06 1.6342399997149037e-07
shell4_X-4_Y-3_Z-1_mono1_fix1//test20tig_AVDZ_AVQZfit/ DONE 23.736331546893048 1 1.0 0.0 -2.3657960070977424e-06 1.436459999837325e-07 -2.387991003161005e-06 1.6342399997149037e-07
shell4_X-1_Y-4_Z-3_mono2_fix1//test20tig_AVDZ_AVQZfit/ DONE 23.736331546893048 1 1.0 0.0 -2.3657960070977424e-06 1.436459999837325e-07 -2.387991003161005e-06 1.6342399997149037e-07
shell4_X-3_Y0_Z-4_mono3_fix1//test20tig_AVDZ_AVQZfit/ DONE 23.755910482848975 1 1.0 0.0 -3.4021650066051734e-06 2.5127000002900246e-07 -3.4267490036654635e-06 2.861290000211181e-07
shell4_X0_Y-4_Z-3_mono2_fix1//test20tig_AVDZ_AVQZfit/ DONE 23.755910482848975 1 1.0 0.0 -3.4021650066051734e-06 2.5127000002900246e-07 -3.4267490036654635e-06 2.861290000211181e-07
shell4_X-4_Y-3_Z0_mono1_fix1//test20tig_AVDZ_AVQZfit/ DONE 23.755910482848975 1 1.0 0.0 -3.4021650066051734e-06 2.5127000002900246e-07 -3.4267490036654635e-06 2.861290000211181e-07
shell4_X4_Y-1_Z-1_mono1_fix1//test20tig_AVDZ_AVQZfit/ DONE 23.777318480195873 1 1.0 0.0 -5.525750005119789e-06 4.6751100002406787e-07 -5.5578139921408365e-06 5.316009999978277e-07
shell4_X-1_Y-1_Z4_mono3_fix1//test20tig_AVDZ_AVQZfit/ DONE 23.777318480195873 1 1.0 0.0 -5.525750005119789e-06 4.6751100002406787e-07 -5.5578139921408365e-06 5.316009999978277e-07
shell4_X-1_Y4_Z-1_mono2_fix1//test20tig_AVDZ_AVQZfit/ DONE 23.777318480195873 1 1.0 0.0 -5.525750005119789e-06 4.6751100002406787e-07 -5.5578139921408365e-06 5.316009999978277e-07
shell4_X0_Y3_Z-4_mono1_fix1//test20tig_AVDZ_AVQZfit/ DONE 23.79395807274311 1 1.0 0.0 -1.4569959958521395e-06 1.2308699998131445e-07 -1.4657059992373433e-06 1.4031799999703054e-07
shell4_X-1_Y3_Z-4_mono1_fix1//test20tig_AVDZ_AVQZfit/ DONE 23.79395807274311 1 1.0 0.0 -1.4569959958521395e-06 1.2308699998131445e-07 -1.4657059992373433e-06 1.4031799999703054e-07
shell4_X3_Y-4_Z0_mono3_fix1//test20tig_AVDZ_AVQZfit/ DONE 23.79395807274311 1 1.0 0.0 -1.4569959958521395e-06 1.2308699998131445e-07 -1.4657059992373433e-06 1.4031799999703054e-07
shell4_X3_Y-4_Z-1_mono3_fix1//test20tig_AVDZ_AVQZfit/ DONE 23.79395807274311 1 1.0 0.0 -1.4569959958521395e-06 1.2308699998131445e-07 -1.4657059992373433e-06 1.4031799999703054e-07
shell4_X-4_Y-1_Z3_mono2_fix1//test20tig_AVDZ_AVQZfit/ DONE 23.79395807274311 1 1.0 0.0 -1.4569959958521395e-06 1.2308699998131445e-07 -1.4657059992373433e-06 1.4031799999703054e-07
shell4_X-4_Y0_Z3_mono2_fix1//test20tig_AVDZ_AVQZfit/ DONE 23.79395807274311 1 1.0 0.0 -1.4569959958521395e-06 1.2308699998131445e-07 -1.4657059992373433e-06 1.4031799999703054e-07
shell4_X-1_Y0_Z4_mono3_fix1//test20tig_AVDZ_AVQZfit/ DONE 23.79769603307213 1 1.0 0.0 -5.401245999792081e-06 4.903000000444635e-07 -5.4285929991237936e-06 5.569069999600273e-07
shell4_X0_Y4_Z-1_mono2_fix1//test20tig_AVDZ_AVQZfit/ DONE 23.79769603307213 1 1.0 0.0 -5.401245999792081e-06 4.903000000444635e-07 -5.4285929991237936e-06 5.569069999600273e-07
shell4_X4_Y-1_Z0_mono1_fix1//test20tig_AVDZ_AVQZfit/ DONE 23.79769603307213 1 1.0 0.0 -5.401245999792081e-06 4.903000000444635e-07 -5.4285929991237936e-06 5.569069999600273e-07
shell4_X1_Y-1_Z4_mono3_fix1//test20tig_AVDZ_AVQZfit/ DONE 23.81817010604379 1 1.0 0.0 -4.885447999924963e-06 4.7475599995738804e-07 -4.906773995116964e-06 5.3850900003094e-07
shell4_X-1_Y4_Z1_mono2_fix1//test20tig_AVDZ_AVQZfit/ DONE 23.81817010604379 1 1.0 0.0 -4.885447999924963e-06 4.7475599995738804e-07 -4.906773995116964e-06 5.3850900003094e-07
shell4_X4_Y1_Z-1_mono1_fix1//test20tig_AVDZ_AVQZfit/ DONE 23.81817010604379 1 1.0 0.0 -4.885447999924963e-06 4.7475599995738804e-07 -4.906773995116964e-06 5.3850900003094e-07
shell4_X1_Y0_Z4_mono3_fix1//test20tig_AVDZ_AVQZfit/ DONE 23.83928318306301 1 1.0 0.0 -4.059611001139274e-06 4.232120000002837e-07 -4.074622005134643e-06 4.790980000224376e-07
shell4_X4_Y1_Z0_mono1_fix1//test20tig_AVDZ_AVQZfit/ DONE 23.83928318306301 1 1.0 0.0 -4.059611001139274e-06 4.232120000002837e-07 -4.074622005134643e-06 4.790980000224376e-07
shell4_X0_Y4_Z1_mono2_fix1//test20tig_AVDZ_AVQZfit/ DONE 23.83928318306301 1 1.0 0.0 -4.059611001139274e-06 4.232120000002837e-07 -4.074622005134643e-06 4.790980000224376e-07
shell4_X-4_Y3_Z-1_mono1_fix1//test20tig_AVDZ_AVQZfit/ DONE 23.859081650392152 1 1.0 0.0 -1.690293991885028e-06 1.9999400002745915e-07 -1.6949949923628083e-06 2.2543399999519487e-07
shell4_X-1_Y-4_Z3_mono2_fix1//test20tig_AVDZ_AVQZfit/ DONE 23.859081650392152 1 1.0 0.0 -1.690293991885028e-06 1.9999400002745915e-07 -1.6949949923628083e-06 2.2543399999519487e-07
shell4_X3_Y-1_Z-4_mono3_fix1//test20tig_AVDZ_AVQZfit/ DONE 23.859081650392152 1 1.0 0.0 -1.690293991885028e-06 1.9999400002745915e-07 -1.6949949923628083e-06 2.2543399999519487e-07
shell4_X-1_Y-1_Z4_mono1_fix1//test20tig_AVDZ_AVQZfit/ DONE 23.878651084858088 1 1.0 0.0 1.3564919925102004e-06 -1.1039700004156217e-07 1.3630070014869489e-06 -1.263430000342236e-07
shell4_X0_Y-1_Z4_mono1_fix1//test20tig_AVDZ_AVQZfit/ DONE 23.878651084858088 1 1.0 0.0 1.3564919925102004e-06 -1.1039700004156217e-07 1.3630070014869489e-06 -1.263430000342236e-07
shell4_X-1_Y4_Z0_mono3_fix1//test20tig_AVDZ_AVQZfit/ DONE 23.878651084858088 1 1.0 0.0 1.3564919925102004e-06 -1.1039700004156217e-07 1.3630070014869489e-06 -1.263430000342236e-07
shell4_X-1_Y4_Z-1_mono3_fix1//test20tig_AVDZ_AVQZfit/ DONE 23.878651084858088 1 1.0 0.0 1.3564919925102004e-06 -1.1039700004156217e-07 1.3630070014869489e-06 -1.263430000342236e-07
shell4_X4_Y0_Z-1_mono2_fix1//test20tig_AVDZ_AVQZfit/ DONE 23.878651084858088 1 1.0 0.0 1.3564919925102004e-06 -1.1039700004156217e-07 1.3630070014869489e-06 -1.263430000342236e-07
shell4_X4_Y-1_Z-1_mono2_fix1//test20tig_AVDZ_AVQZfit/ DONE 23.878651084858088 1 1.0 0.0 1.3564919925102004e-06 -1.1039700004156217e-07 1.3630070014869489e-06 -1.263430000342236e-07
shell4_X-4_Y3_Z0_mono1_fix1//test20tig_AVDZ_AVQZfit/ DONE 23.88086659671962 1 1.0 0.0 -5.050980007581529e-07 8.74389999294678e-08 -5.046799955721326e-07 9.757499996876362e-08
shell4_X0_Y-4_Z3_mono2_fix1//test20tig_AVDZ_AVQZfit/ DONE 23.88086659671962 1 1.0 0.0 -5.050980007581529e-07 8.74389999294678e-08 -5.046799955721326e-07 9.757499996876362e-08
shell4_X3_Y0_Z-4_mono3_fix1//test20tig_AVDZ_AVQZfit/ DONE 23.88086659671962 1 1.0 0.0 -5.050980007581529e-07 8.74389999294678e-08 -5.046799955721326e-07 9.757499996876362e-08
shell4_X0_Y1_Z4_mono1_fix1//test20tig_AVDZ_AVQZfit/ DONE 23.923415069346316 1 1.0 0.0 3.864372992268272e-06 -3.9949099994718296e-07 3.879515006133261e-06 -4.513389999794004e-07
shell4_X1_Y4_Z0_mono3_fix1//test20tig_AVDZ_AVQZfit/ DONE 23.923415069346316 1 1.0 0.0 3.864372992268272e-06 -3.9949099994718296e-07 3.879515006133261e-06 -4.513389999794004e-07
shell4_X1_Y4_Z-1_mono3_fix1//test20tig_AVDZ_AVQZfit/ DONE 23.923415069346316 1 1.0 0.0 3.864372992268272e-06 -3.9949099994718296e-07 3.879515006133261e-06 -4.513389999794004e-07
shell4_X-1_Y1_Z4_mono1_fix1//test20tig_AVDZ_AVQZfit/ DONE 23.923415069346316 1 1.0 0.0 3.864372992268272e-06 -3.9949099994718296e-07 3.879515006133261e-06 -4.513389999794004e-07
shell4_X4_Y0_Z1_mono2_fix1//test20tig_AVDZ_AVQZfit/ DONE 23.923415069346316 1 1.0 0.0 3.864372992268272e-06 -3.9949099994718296e-07 3.879515006133261e-06 -4.513389999794004e-07
shell4_X4_Y-1_Z1_mono2_fix1//test20tig_AVDZ_AVQZfit/ DONE 23.923415069346316 1 1.0 0.0 3.864372992268272e-06 -3.9949099994718296e-07 3.879515006133261e-06 -4.513389999794004e-07
shell4_X-1_Y-4_Z-3_mono1_fix1//test20tig_AVDZ_AVQZfit/ DONE 24.226563234188877 1 1.0 0.0 7.470850000856899e-06 -5.996699999899491e-07 7.518374012249751e-06 -6.80255999974122e-07
shell4_X-3_Y0_Z-4_mono2_fix1//test20tig_AVDZ_AVQZfit/ DONE 24.226563234188877 1 1.0 0.0 7.470850000856899e-06 -5.996699999899491e-07 7.518374012249751e-06 -6.80255999974122e-07
shell4_X-3_Y-1_Z-4_mono2_fix1//test20tig_AVDZ_AVQZfit/ DONE 24.226563234188877 1 1.0 0.0 7.470850000856899e-06 -5.996699999899491e-07 7.518374012249751e-06 -6.80255999974122e-07
shell4_X-4_Y-3_Z0_mono3_fix1//test20tig_AVDZ_AVQZfit/ DONE 24.226563234188877 1 1.0 0.0 7.470850000856899e-06 -5.996699999899491e-07 7.518374012249751e-06 -6.80255999974122e-07
shell4_X0_Y-4_Z-3_mono1_fix1//test20tig_AVDZ_AVQZfit/ DONE 24.226563234188877 1 1.0 0.0 7.470850000856899e-06 -5.996699999899491e-07 7.518374012249751e-06 -6.80255999974122e-07
shell4_X-4_Y-3_Z-1_mono3_fix1//test20tig_AVDZ_AVQZfit/ DONE 24.226563234188877 1 1.0 0.0 7.470850000856899e-06 -5.996699999899491e-07 7.518374012249751e-06 -6.80255999974122e-07
shell4_X-2_Y-4_Z2_mono3_fix1//test20tig_AVDZ_AVQZfit/ DONE 24.245681749613 1 1.0 0.0 2.852713997469891e-06 -2.7748799996674123e-07 2.865724006539949e-06 -3.1305400000070094e-07
shell4_X-2_Y-4_Z-3_mono3_fix1//test20tig_AVDZ_AVQZfit/ DONE 24.245681749613 1 1.0 0.0 2.852713997469891e-06 -2.7748799996674123e-07 2.865724006539949e-06 -3.1305400000070094e-07
shell4_X-3_Y-2_Z-4_mono1_fix1//test20tig_AVDZ_AVQZfit/ DONE 24.245681749613 1 1.0 0.0 2.852713997469891e-06 -2.7748799996674123e-07 2.865724006539949e-06 -3.1305400000070094e-07
shell4_X2_Y-2_Z-4_mono1_fix1//test20tig_AVDZ_AVQZfit/ DONE 24.245681749613 1 1.0 0.0 2.852713997469891e-06 -2.7748799996674123e-07 2.865724006539949e-06 -3.1305400000070094e-07
shell4_X-4_Y2_Z-2_mono2_fix1//test20tig_AVDZ_AVQZfit/ DONE 24.245681749613 1 1.0 0.0 2.852713997469891e-06 -2.7748799996674123e-07 2.865724006539949e-06 -3.1305400000070094e-07
shell4_X-4_Y-3_Z-2_mono2_fix1//test20tig_AVDZ_AVQZfit/ DONE 24.245681749613 1 1.0 0.0 2.852713997469891e-06 -2.7748799996674123e-07 2.865724006539949e-06 -3.1305400000070094e-07
shell4_X-1_Y2_Z-4_mono2_fix1//test20tig_AVDZ_AVQZfit/ DONE 24.264301300678067 1 1.0 0.0 6.587969991755926e-07 -1.032279999813035e-07 6.558650085253248e-07 -1.1656199996878946e-07
shell4_X-4_Y-1_Z-3_mono3_fix1//test20tig_AVDZ_AVQZfit/ DONE 24.264301300678067 1 1.0 0.0 6.587969991755926e-07 -1.032279999813035e-07 6.558650085253248e-07 -1.1656199996878946e-07
shell4_X-3_Y-4_Z-1_mono1_fix1//test20tig_AVDZ_AVQZfit/ DONE 24.264301300678067 1 1.0 0.0 6.587969991755926e-07 -1.032279999813035e-07 6.558650085253248e-07 -1.1656199996878946e-07
shell4_X-4_Y-1_Z2_mono3_fix1//test20tig_AVDZ_AVQZfit/ DONE 24.264301300678067 1 1.0 0.0 6.587969991755926e-07 -1.032279999813035e-07 6.558650085253248e-07 -1.1656199996878946e-07
shell4_X-1_Y-3_Z-4_mono2_fix1//test20tig_AVDZ_AVQZfit/ DONE 24.264301300678067 1 1.0 0.0 6.587969991755926e-07 -1.032279999813035e-07 6.558650085253248e-07 -1.1656199996878946e-07
shell4_X2_Y-4_Z-1_mono1_fix1//test20tig_AVDZ_AVQZfit/ DONE 24.264301300678067 1 1.0 0.0 6.587969991755926e-07 -1.032279999813035e-07 6.558650085253248e-07 -1.1656199996878946e-07
shell4_X-3_Y-4_Z-2_mono2_fix1//test20tig_AVDZ_AVQZfit/ DONE 24.265295667841826 1 1.0 0.0 -7.327730031647661e-07 1.2730000387151108e-09 -7.442540024271693e-07 2.9760000019862787e-09
shell4_X-4_Y-2_Z-3_mono1_fix1//test20tig_AVDZ_AVQZfit/ DONE 24.265295667841826 1 1.0 0.0 -7.327730031647661e-07 1.2730000387151108e-09 -7.442540024271693e-07 2.9760000019862787e-09
shell4_X-2_Y-3_Z-4_mono3_fix1//test20tig_AVDZ_AVQZfit/ DONE 24.265295667841826 1 1.0 0.0 -7.327730031647661e-07 1.2730000387151108e-09 -7.442540024271693e-07 2.9760000019862787e-09
shell4_X0_Y2_Z-4_mono2_fix1//test20tig_AVDZ_AVQZfit/ DONE 24.283098482240003 1 1.0 0.0 -9.285069992870376e-07 3.262199993470105e-08 -9.393120024014934e-07 3.8381999994951954e-08
shell4_X2_Y-4_Z0_mono1_fix1//test20tig_AVDZ_AVQZfit/ DONE 24.283098482240003 1 1.0 0.0 -9.285069992870376e-07 3.262199993470105e-08 -9.393120024014934e-07 3.8381999994951954e-08
shell4_X-3_Y-4_Z0_mono1_fix1//test20tig_AVDZ_AVQZfit/ DONE 24.283098482240003 1 1.0 0.0 -9.285069992870376e-07 3.262199993470105e-08 -9.393120024014934e-07 3.8381999994951954e-08
shell4_X-4_Y0_Z-3_mono3_fix1//test20tig_AVDZ_AVQZfit/ DONE 24.283098482240003 1 1.0 0.0 -9.285069992870376e-07 3.262199993470105e-08 -9.393120024014934e-07 3.8381999994951954e-08
shell4_X0_Y-3_Z-4_mono2_fix1//test20tig_AVDZ_AVQZfit/ DONE 24.283098482240003 1 1.0 0.0 -9.285069992870376e-07 3.262199993470105e-08 -9.393120024014934e-07 3.8381999994951954e-08
shell4_X-4_Y0_Z2_mono3_fix1//test20tig_AVDZ_AVQZfit/ DONE 24.283098482240003 1 1.0 0.0 -9.285069992870376e-07 3.262199993470105e-08 -9.393120024014934e-07 3.8381999994951954e-08
shell4_X-1_Y-4_Z2_mono1_fix1//test20tig_AVDZ_AVQZfit/ DONE 24.320472303211073 1 1.0 0.0 -1.2649840073208907e-06 9.112100007868662e-08 -1.2732469940601732e-06 1.052529999823193e-07
shell4_X2_Y0_Z-4_mono2_fix1//test20tig_AVDZ_AVQZfit/ DONE 24.320472303211073 1 1.0 0.0 -1.2649840073208907e-06 9.112100007868662e-08 -1.2732469940601732e-06 1.052529999823193e-07
shell4_X-4_Y2_Z0_mono3_fix1//test20tig_AVDZ_AVQZfit/ DONE 24.320472303211073 1 1.0 0.0 -1.2649840073208907e-06 9.112100007868662e-08 -1.2732469940601732e-06 1.052529999823193e-07
shell4_X0_Y-4_Z2_mono1_fix1//test20tig_AVDZ_AVQZfit/ DONE 24.320472303211073 1 1.0 0.0 -1.2649840073208907e-06 9.112100007868662e-08 -1.2732469940601732e-06 1.052529999823193e-07
shell4_X2_Y-1_Z-4_mono2_fix1//test20tig_AVDZ_AVQZfit/ DONE 24.320472303211073 1 1.0 0.0 -1.2649840073208907e-06 9.112100007868662e-08 -1.2732469940601732e-06 1.052529999823193e-07
shell4_X-4_Y2_Z-1_mono3_fix1//test20tig_AVDZ_AVQZfit/ DONE 24.320472303211073 1 1.0 0.0 -1.2649840073208907e-06 9.112100007868662e-08 -1.2732469940601732e-06 1.052529999823193e-07
shell4_X-3_Y2_Z-4_mono1_fix1//test20tig_AVDZ_AVQZfit/ DONE 24.321775106168662 1 1.0 0.0 -2.3912860029895455e-06 1.893959999943462e-07 -2.4060299992356704e-06 2.1634300001460716e-07
shell4_X-4_Y2_Z2_mono2_fix1//test20tig_AVDZ_AVQZfit/ DONE 24.321775106168662 1 1.0 0.0 -2.3912860029895455e-06 1.893959999943462e-07 -2.4060299992356704e-06 2.1634300001460716e-07
shell4_X2_Y2_Z-4_mono1_fix1//test20tig_AVDZ_AVQZfit/ DONE 24.321775106168662 1 1.0 0.0 -2.3912860029895455e-06 1.893959999943462e-07 -2.4060299992356704e-06 2.1634300001460716e-07
shell4_X2_Y-4_Z2_mono3_fix1//test20tig_AVDZ_AVQZfit/ DONE 24.321775106168662 1 1.0 0.0 -2.3912860029895455e-06 1.893959999943462e-07 -2.4060299992356704e-06 2.1634300001460716e-07
shell4_X2_Y-4_Z-3_mono3_fix1//test20tig_AVDZ_AVQZfit/ DONE 24.321775106168662 1 1.0 0.0 -2.3912860029895455e-06 1.893959999943462e-07 -2.4060299992356704e-06 2.1634300001460716e-07
shell4_X-4_Y-3_Z2_mono2_fix1//test20tig_AVDZ_AVQZfit/ DONE 24.321775106168662 1 1.0 0.0 -2.3912860029895455e-06 1.893959999943462e-07 -2.4060299992356704e-06 2.1634300001460716e-07
shell4_X-2_Y4_Z0_mono2_fix1//test20tig_AVDZ_AVQZfit/ DONE 24.324212480940094 1 1.0 0.0 -5.007154001646086e-06 4.232420000027659e-07 -5.0351340021848046e-06 4.819220000007451e-07
shell4_X0_Y-2_Z4_mono3_fix1//test20tig_AVDZ_AVQZfit/ DONE 24.324212480940094 1 1.0 0.0 -5.007154001646086e-06 4.232420000027659e-07 -5.0351340021848046e-06 4.819220000007451e-07
shell4_X4_Y0_Z-2_mono1_fix1//test20tig_AVDZ_AVQZfit/ DONE 24.324212480940094 1 1.0 0.0 -5.007154001646086e-06 4.232420000027659e-07 -5.0351340021848046e-06 4.819220000007451e-07
shell4_X2_Y-3_Z-4_mono3_fix1//test20tig_AVDZ_AVQZfit/ DONE 24.342632548693842 1 1.0 0.0 -3.508774007343618e-06 3.120589999738854e-07 -3.5263119926298714e-06 3.5553999999660135e-07
shell4_X-3_Y-4_Z2_mono2_fix1//test20tig_AVDZ_AVQZfit/ DONE 24.342632548693842 1 1.0 0.0 -3.508774007343618e-06 3.120589999738854e-07 -3.5263119926298714e-06 3.5553999999660135e-07
shell4_X-4_Y2_Z-3_mono1_fix1//test20tig_AVDZ_AVQZfit/ DONE 24.342632548693842 1 1.0 0.0 -3.508774007343618e-06 3.120589999738854e-07 -3.5263119926298714e-06 3.5553999999660135e-07
shell4_X-2_Y2_Z-4_mono3_fix1//test20tig_AVDZ_AVQZfit/ DONE 24.36306298050993 1 1.0 0.0 -3.156607995435934e-06 3.010519999957495e-07 -3.1696080071696997e-06 3.4276599997218327e-07
shell4_X2_Y-4_Z-2_mono2_fix1//test20tig_AVDZ_AVQZfit/ DONE 24.36306298050993 1 1.0 0.0 -3.156607995435934e-06 3.010519999957495e-07 -3.1696080071696997e-06 3.4276599997218327e-07
shell4_X-4_Y-2_Z2_mono1_fix1//test20tig_AVDZ_AVQZfit/ DONE 24.36306298050993 1 1.0 0.0 -3.156607995435934e-06 3.010519999957495e-07 -3.1696080071696997e-06 3.4276599997218327e-07
shell4_X-3_Y0_Z4_mono2_fix1//test20tig_AVDZ_AVQZfit/ DONE 24.381587830640843 1 1.0 0.0 -6.312889908599573e-07 7.191800005523774e-08 -6.315360039366169e-07 8.260200001775075e-08
shell4_X-3_Y-1_Z4_mono2_fix1//test20tig_AVDZ_AVQZfit/ DONE 24.381587830640843 1 1.0 0.0 -6.312889908599573e-07 7.191800005523774e-08 -6.315360039366169e-07 8.260200001775075e-08
shell4_X4_Y-3_Z-1_mono3_fix1//test20tig_AVDZ_AVQZfit/ DONE 24.381587830640843 1 1.0 0.0 -6.312889908599573e-07 7.191800005523774e-08 -6.315360039366169e-07 8.260200001775075e-08
shell4_X0_Y4_Z-3_mono1_fix1//test20tig_AVDZ_AVQZfit/ DONE 24.381587830640843 1 1.0 0.0 -6.312889908599573e-07 7.191800005523774e-08 -6.315360039366169e-07 8.260200001775075e-08
shell4_X-1_Y4_Z-3_mono1_fix1//test20tig_AVDZ_AVQZfit/ DONE 24.381587830640843 1 1.0 0.0 -6.312889908599573e-07 7.191800005523774e-08 -6.315360039366169e-07 8.260200001775075e-08
shell4_X4_Y-3_Z0_mono3_fix1//test20tig_AVDZ_AVQZfit/ DONE 24.381587830640843 1 1.0 0.0 -6.312889908599573e-07 7.191800005523774e-08 -6.315360039366169e-07 8.260200001775075e-08
shell4_X1_Y4_Z0_mono2_fix1//test20tig_AVDZ_AVQZfit/ DONE 24.385049226799655 1 1.0 0.0 -3.720449996080788e-06 3.8439999999750896e-07 -3.7337400016212996e-06 4.359630000061454e-07
shell4_X0_Y1_Z4_mono3_fix1//test20tig_AVDZ_AVQZfit/ DONE 24.385049226799655 1 1.0 0.0 -3.720449996080788e-06 3.8439999999750896e-07 -3.7337400016212996e-06 4.359630000061454e-07
shell4_X4_Y0_Z1_mono1_fix1//test20tig_AVDZ_AVQZfit/ DONE 24.385049226799655 1 1.0 0.0 -3.720449996080788e-06 3.8439999999750896e-07 -3.7337400016212996e-06 4.359630000061454e-07
shell4_X4_Y-1_Z-3_mono3_fix1//test20tig_AVDZ_AVQZfit/ DONE 24.4245607632378 1 1.0 0.0 3.034970035287188e-07 -3.781999935448255e-09 3.0728400446378146e-07 -4.602000003295359e-09
shell4_X-1_Y2_Z4_mono2_fix1//test20tig_AVDZ_AVQZfit/ DONE 24.4245607632378 1 1.0 0.0 3.034970035287188e-07 -3.781999935448255e-09 3.0728400446378146e-07 -4.602000003295359e-09
shell4_X-1_Y-3_Z4_mono2_fix1//test20tig_AVDZ_AVQZfit/ DONE 24.4245607632378 1 1.0 0.0 3.034970035287188e-07 -3.781999935448255e-09 3.0728400446378146e-07 -4.602000003295359e-09
shell4_X4_Y-1_Z2_mono3_fix1//test20tig_AVDZ_AVQZfit/ DONE 24.4245607632378 1 1.0 0.0 3.034970035287188e-07 -3.781999935448255e-09 3.0728400446378146e-07 -4.602000003295359e-09
shell4_X2_Y4_Z-1_mono1_fix1//test20tig_AVDZ_AVQZfit/ DONE 24.4245607632378 1 1.0 0.0 3.034970035287188e-07 -3.781999935448255e-09 3.0728400446378146e-07 -4.602000003295359e-09
shell4_X-3_Y4_Z-1_mono1_fix1//test20tig_AVDZ_AVQZfit/ DONE 24.4245607632378 1 1.0 0.0 3.034970035287188e-07 -3.781999935448255e-09 3.0728400446378146e-07 -4.602000003295359e-09
shell4_X0_Y4_Z-2_mono3_fix1//test20tig_AVDZ_AVQZfit/ DONE 24.445528677777112 1 1.0 0.0 1.982387004773045e-06 -1.831909999250314e-07 1.9921159974956026e-06 -2.0737599998321699e-07
shell4_X0_Y4_Z1_mono3_fix1//test20tig_AVDZ_AVQZfit/ DONE 24.445528677777112 1 1.0 0.0 1.982387004773045e-06 -1.831909999250314e-07 1.9921159974956026e-06 -2.0737599998321699e-07
shell4_X1_Y0_Z4_mono1_fix1//test20tig_AVDZ_AVQZfit/ DONE 24.445528677777112 1 1.0 0.0 1.982387004773045e-06 -1.831909999250314e-07 1.9921159974956026e-06 -2.0737599998321699e-07
shell4_X-2_Y0_Z4_mono1_fix1//test20tig_AVDZ_AVQZfit/ DONE 24.445528677777112 1 1.0 0.0 1.982387004773045e-06 -1.831909999250314e-07 1.9921159974956026e-06 -2.0737599998321699e-07
shell4_X4_Y-2_Z0_mono2_fix1//test20tig_AVDZ_AVQZfit/ DONE 24.445528677777112 1 1.0 0.0 1.982387004773045e-06 -1.831909999250314e-07 1.9921159974956026e-06 -2.0737599998321699e-07
shell4_X4_Y1_Z0_mono2_fix1//test20tig_AVDZ_AVQZfit/ DONE 24.445528677777112 1 1.0 0.0 1.982387004773045e-06 -1.831909999250314e-07 1.9921159974956026e-06 -2.0737599998321699e-07
shell4_X0_Y-3_Z4_mono2_fix1//test20tig_AVDZ_AVQZfit/ DONE 24.44610510430457 1 1.0 0.0 1.4693439922552898e-06 -1.2704100005311858e-07 1.4768059983794046e-06 -1.443430000247492e-07
shell4_X0_Y2_Z4_mono2_fix1//test20tig_AVDZ_AVQZfit/ DONE 24.44610510430457 1 1.0 0.0 1.4693439922552898e-06 -1.2704100005311858e-07 1.4768059983794046e-06 -1.443430000247492e-07
shell4_X2_Y4_Z0_mono1_fix1//test20tig_AVDZ_AVQZfit/ DONE 24.44610510430457 1 1.0 0.0 1.4693439922552898e-06 -1.2704100005311858e-07 1.4768059983794046e-06 -1.443430000247492e-07
shell4_X4_Y0_Z2_mono3_fix1//test20tig_AVDZ_AVQZfit/ DONE 24.44610510430457 1 1.0 0.0 1.4693439922552898e-06 -1.2704100005311858e-07 1.4768059983794046e-06 -1.443430000247492e-07
shell4_X4_Y0_Z-3_mono3_fix1//test20tig_AVDZ_AVQZfit/ DONE 24.44610510430457 1 1.0 0.0 1.4693439922552898e-06 -1.2704100005311858e-07 1.4768059983794046e-06 -1.443430000247492e-07
shell4_X-3_Y4_Z0_mono1_fix1//test20tig_AVDZ_AVQZfit/ DONE 24.44610510430457 1 1.0 0.0 1.4693439922552898e-06 -1.2704100005311858e-07 1.4768059983794046e-06 -1.443430000247492e-07
shell4_X2_Y2_Z-4_mono3_fix1//test20tig_AVDZ_AVQZfit/ DONE 24.447267412355863 1 1.0 0.0 6.616280003868269e-07 -3.963399997086725e-08 6.672670025409388e-07 -4.5010000004896966e-08
shell4_X-4_Y2_Z2_mono1_fix1//test20tig_AVDZ_AVQZfit/ DONE 24.447267412355863 1 1.0 0.0 6.616280003868269e-07 -3.963399997086725e-08 6.672670025409388e-07 -4.5010000004896966e-08
shell4_X2_Y-4_Z2_mono2_fix1//test20tig_AVDZ_AVQZfit/ DONE 24.447267412355863 1 1.0 0.0 6.616280003868269e-07 -3.963399997086725e-08 6.672670025409388e-07 -4.5010000004896966e-08
shell4_X2_Y0_Z4_mono2_fix1//test20tig_AVDZ_AVQZfit/ DONE 24.489227888446415 1 1.0 0.0 4.767388006143847e-06 -5.167639999248408e-07 4.783238004790746e-06 -5.833549999723076e-07
shell4_X-1_Y4_Z2_mono1_fix1//test20tig_AVDZ_AVQZfit/ DONE 24.489227888446415 1 1.0 0.0 4.767388006143847e-06 -5.167639999248408e-07 4.783238004790746e-06 -5.833549999723076e-07
shell4_X4_Y2_Z0_mono3_fix1//test20tig_AVDZ_AVQZfit/ DONE 24.489227888446415 1 1.0 0.0 4.767388006143847e-06 -5.167639999248408e-07 4.783238004790746e-06 -5.833549999723076e-07
shell4_X4_Y2_Z-1_mono3_fix1//test20tig_AVDZ_AVQZfit/ DONE 24.489227888446415 1 1.0 0.0 4.767388006143847e-06 -5.167639999248408e-07 4.783238004790746e-06 -5.833549999723076e-07
shell4_X0_Y4_Z2_mono1_fix1//test20tig_AVDZ_AVQZfit/ DONE 24.489227888446415 1 1.0 0.0 4.767388006143847e-06 -5.167639999248408e-07 4.783238004790746e-06 -5.833549999723076e-07
shell4_X2_Y-1_Z4_mono2_fix1//test20tig_AVDZ_AVQZfit/ DONE 24.489227888446415 1 1.0 0.0 4.767388006143847e-06 -5.167639999248408e-07 4.783238004790746e-06 -5.833549999723076e-07
shell4_X-3_Y-4_Z1_mono3_fix1//test20tig_AVDZ_AVQZfit/ DONE 24.76381423163943 1 1.0 0.0 6.046446003438177e-06 -4.984699999432962e-07 6.083406994150664e-06 -5.651939999629096e-07
shell4_X1_Y-3_Z-4_mono1_fix1//test20tig_AVDZ_AVQZfit/ DONE 24.76381423163943 1 1.0 0.0 6.046446003438177e-06 -4.984699999432962e-07 6.083406994150664e-06 -5.651939999629096e-07
shell4_X-3_Y-4_Z-2_mono3_fix1//test20tig_AVDZ_AVQZfit/ DONE 24.76381423163943 1 1.0 0.0 6.046446003438177e-06 -4.984699999432962e-07 6.083406994150664e-06 -5.651939999629096e-07
shell4_X-4_Y1_Z-3_mono2_fix1//test20tig_AVDZ_AVQZfit/ DONE 24.76381423163943 1 1.0 0.0 6.046446003438177e-06 -4.984699999432962e-07 6.083406994150664e-06 -5.651939999629096e-07
shell4_X-2_Y-3_Z-4_mono1_fix1//test20tig_AVDZ_AVQZfit/ DONE 24.76381423163943 1 1.0 0.0 6.046446003438177e-06 -4.984699999432962e-07 6.083406994150664e-06 -5.651939999629096e-07
shell4_X-4_Y-2_Z-3_mono2_fix1//test20tig_AVDZ_AVQZfit/ DONE 24.76381423163943 1 1.0 0.0 6.046446003438177e-06 -4.984699999432962e-07 6.083406994150664e-06 -5.651939999629096e-07
shell4_X-2_Y-4_Z-3_mono2_fix1//test20tig_AVDZ_AVQZfit/ DONE 24.801594935946618 1 1.0 0.0 -6.765689946064413e-07 5.5669999721175145e-09 -6.88315999752831e-07 6.599000013096656e-09
shell4_X-4_Y-3_Z-2_mono1_fix1//test20tig_AVDZ_AVQZfit/ DONE 24.801594935946618 1 1.0 0.0 -6.765689946064413e-07 5.5669999721175145e-09 -6.88315999752831e-07 6.599000013096656e-09
shell4_X-3_Y-2_Z-4_mono3_fix1//test20tig_AVDZ_AVQZfit/ DONE 24.801594935946618 1 1.0 0.0 -6.765689946064413e-07 5.5669999721175145e-09 -6.88315999752831e-07 6.599000013096656e-09
shell4_X4_Y-1_Z-2_mono1_fix1//test20tig_AVDZ_AVQZfit/ DONE 24.8401508782565 1 1.0 0.0 -4.2430590028175175e-06 3.332530000288436e-07 -4.270357997882002e-06 3.7976899996960967e-07
shell4_X-1_Y-2_Z4_mono3_fix1//test20tig_AVDZ_AVQZfit/ DONE 24.8401508782565 1 1.0 0.0 -4.2430590028175175e-06 3.332530000288436e-07 -4.270357997882002e-06 3.7976899996960967e-07
shell4_X-2_Y4_Z-1_mono2_fix1//test20tig_AVDZ_AVQZfit/ DONE 24.8401508782565 1 1.0 0.0 -4.2430590028175175e-06 3.332530000288436e-07 -4.270357997882002e-06 3.7976899996960967e-07
shell4_X1_Y-4_Z-3_mono2_fix1//test20tig_AVDZ_AVQZfit/ DONE 24.858050164445615 1 1.0 0.0 -3.197877994409737e-06 2.6342899994702407e-07 -3.2167409926842083e-06 3.0019500002476107e-07
shell4_X-4_Y-3_Z1_mono1_fix1//test20tig_AVDZ_AVQZfit/ DONE 24.858050164445615 1 1.0 0.0 -3.197877994409737e-06 2.6342899994702407e-07 -3.2167409926842083e-06 3.0019500002476107e-07
shell4_X-3_Y1_Z-4_mono3_fix1//test20tig_AVDZ_AVQZfit/ DONE 24.858050164445615 1 1.0 0.0 -3.197877994409737e-06 2.6342899994702407e-07 -3.2167409926842083e-06 3.0019500002476107e-07
shell4_X1_Y3_Z-4_mono1_fix1//test20tig_AVDZ_AVQZfit/ DONE 24.875878712434623 1 1.0 0.0 -1.5951499960920046e-06 1.378110000005428e-07 -1.6041460000337793e-06 1.5706600001164084e-07
shell4_X-2_Y3_Z-4_mono1_fix1//test20tig_AVDZ_AVQZfit/ DONE 24.875878712434623 1 1.0 0.0 -1.5951499960920046e-06 1.378110000005428e-07 -1.6041460000337793e-06 1.5706600001164084e-07
shell4_X3_Y-4_Z1_mono3_fix1//test20tig_AVDZ_AVQZfit/ DONE 24.875878712434623 1 1.0 0.0 -1.5951499960920046e-06 1.378110000005428e-07 -1.6041460000337793e-06 1.5706600001164084e-07
shell4_X3_Y-4_Z-2_mono3_fix1//test20tig_AVDZ_AVQZfit/ DONE 24.875878712434623 1 1.0 0.0 -1.5951499960920046e-06 1.378110000005428e-07 -1.6041460000337793e-06 1.5706600001164084e-07
shell4_X-4_Y1_Z3_mono2_fix1//test20tig_AVDZ_AVQZfit/ DONE 24.875878712434623 1 1.0 0.0 -1.5951499960920046e-06 1.378110000005428e-07 -1.6041460000337793e-06 1.5706600001164084e-07
shell4_X-4_Y-2_Z3_mono2_fix1//test20tig_AVDZ_AVQZfit/ DONE 24.875878712434623 1 1.0 0.0 -1.5951499960920046e-06 1.378110000005428e-07 -1.6041460000337793e-06 1.5706600001164084e-07
shell4_X1_Y-2_Z4_mono3_fix1//test20tig_AVDZ_AVQZfit/ DONE 24.878643263132005 1 1.0 0.0 -4.442911993862708e-06 4.0238799997593944e-07 -4.464923001989973e-06 4.574539999857574e-07
shell4_X4_Y1_Z-2_mono1_fix1//test20tig_AVDZ_AVQZfit/ DONE 24.878643263132005 1 1.0 0.0 -4.442911993862708e-06 4.0238799997593944e-07 -4.464923001989973e-06 4.574539999857574e-07
shell4_X-2_Y4_Z1_mono2_fix1//test20tig_AVDZ_AVQZfit/ DONE 24.878643263132005 1 1.0 0.0 -4.442911993862708e-06 4.0238799997593944e-07 -4.464923001989973e-06 4.574539999857574e-07
shell4_X-1_Y1_Z4_mono3_fix1//test20tig_AVDZ_AVQZfit/ DONE 24.89868880690937 1 1.0 0.0 -4.0513699914868084e-06 3.902149999235327e-07 -4.06888899817659e-06 4.433300000161733e-07
shell4_X1_Y4_Z-1_mono2_fix1//test20tig_AVDZ_AVQZfit/ DONE 24.89868880690937 1 1.0 0.0 -4.0513699914868084e-06 3.902149999235327e-07 -4.06888899817659e-06 4.433300000161733e-07
shell4_X4_Y-1_Z1_mono1_fix1//test20tig_AVDZ_AVQZfit/ DONE 24.89868880690937 1 1.0 0.0 -4.0513699914868084e-06 3.902149999235327e-07 -4.06888899817659e-06 4.433300000161733e-07
shell4_X-2_Y-4_Z3_mono2_fix1//test20tig_AVDZ_AVQZfit/ DONE 24.917228961214885 1 1.0 0.0 -2.2709330025350027e-06 2.3610299998422235e-07 -2.2795339944536863e-06 2.6745300002462e-07
shell4_X3_Y-2_Z-4_mono3_fix1//test20tig_AVDZ_AVQZfit/ DONE 24.917228961214885 1 1.0 0.0 -2.2709330025350027e-06 2.3610299998422235e-07 -2.2795339944536863e-06 2.6745300002462e-07
shell4_X-4_Y3_Z-2_mono1_fix1//test20tig_AVDZ_AVQZfit/ DONE 24.917228961214885 1 1.0 0.0 -2.2709330025350027e-06 2.3610299998422235e-07 -2.2795339944536863e-06 2.6745300002462e-07
shell4_X4_Y1_Z1_mono1_fix1//test20tig_AVDZ_AVQZfit/ DONE 24.93911213557722 1 1.0 0.0 -2.537164995430885e-06 2.8190299999897306e-07 -2.544590003594749e-06 3.190490000248847e-07
shell4_X1_Y1_Z4_mono3_fix1//test20tig_AVDZ_AVQZfit/ DONE 24.93911213557722 1 1.0 0.0 -2.537164995430885e-06 2.8190299999897306e-07 -2.544590003594749e-06 3.190490000248847e-07
shell4_X1_Y4_Z1_mono2_fix1//test20tig_AVDZ_AVQZfit/ DONE 24.93911213557722 1 1.0 0.0 -2.537164995430885e-06 2.8190299999897306e-07 -2.544590003594749e-06 3.190490000248847e-07
shell4_X1_Y-1_Z4_mono1_fix1//test20tig_AVDZ_AVQZfit/ DONE 24.956814515935015 1 1.0 0.0 7.488550011203188e-07 -5.238000000407084e-08 7.535889920973204e-07 -5.978200001699463e-08
shell4_X-1_Y4_Z-2_mono3_fix1//test20tig_AVDZ_AVQZfit/ DONE 24.956814515935015 1 1.0 0.0 7.488550011203188e-07 -5.238000000407084e-08 7.535889920973204e-07 -5.978200001699463e-08
shell4_X4_Y-2_Z-1_mono2_fix1//test20tig_AVDZ_AVQZfit/ DONE 24.956814515935015 1 1.0 0.0 7.488550011203188e-07 -5.238000000407084e-08 7.535889920973204e-07 -5.978200001699463e-08
shell4_X-2_Y-1_Z4_mono1_fix1//test20tig_AVDZ_AVQZfit/ DONE 24.956814515935015 1 1.0 0.0 7.488550011203188e-07 -5.238000000407084e-08 7.535889920973204e-07 -5.978200001699463e-08
shell4_X4_Y1_Z-1_mono2_fix1//test20tig_AVDZ_AVQZfit/ DONE 24.956814515935015 1 1.0 0.0 7.488550011203188e-07 -5.238000000407084e-08 7.535889920973204e-07 -5.978200001699463e-08
shell4_X-1_Y4_Z1_mono3_fix1//test20tig_AVDZ_AVQZfit/ DONE 24.956814515935015 1 1.0 0.0 7.488550011203188e-07 -5.238000000407084e-08 7.535889920973204e-07 -5.978200001699463e-08
shell4_X1_Y-4_Z3_mono2_fix1//test20tig_AVDZ_AVQZfit/ DONE 24.979475827263908 1 1.0 0.0 5.85793991092487e-07 -3.228000006183507e-08 5.900060031649446e-07 -3.761800002055615e-08
shell4_X3_Y1_Z-4_mono3_fix1//test20tig_AVDZ_AVQZfit/ DONE 24.979475827263908 1 1.0 0.0 5.85793991092487e-07 -3.228000006183507e-08 5.900060031649446e-07 -3.761800002055615e-08
shell4_X-4_Y3_Z1_mono1_fix1//test20tig_AVDZ_AVQZfit/ DONE 24.979475827263908 1 1.0 0.0 5.85793991092487e-07 -3.228000006183507e-08 5.900060031649446e-07 -3.761800002055615e-08
shell4_X-2_Y1_Z4_mono1_fix1//test20tig_AVDZ_AVQZfit/ DONE 24.999338274718422 1 1.0 0.0 2.876661007178427e-06 -2.892730000536581e-07 2.888913996912379e-06 -3.267420000119259e-07
shell4_X1_Y1_Z4_mono1_fix1//test20tig_AVDZ_AVQZfit/ DONE 24.999338274718422 1 1.0 0.0 2.876661007178427e-06 -2.892730000536581e-07 2.888913996912379e-06 -3.267420000119259e-07
shell4_X1_Y4_Z-2_mono3_fix1//test20tig_AVDZ_AVQZfit/ DONE 24.999338274718422 1 1.0 0.0 2.876661007178427e-06 -2.892730000536581e-07 2.888913996912379e-06 -3.267420000119259e-07
shell4_X4_Y-2_Z1_mono2_fix1//test20tig_AVDZ_AVQZfit/ DONE 24.999338274718422 1 1.0 0.0 2.876661007178427e-06 -2.892730000536581e-07 2.888913996912379e-06 -3.267420000119259e-07
shell4_X1_Y4_Z1_mono3_fix1//test20tig_AVDZ_AVQZfit/ DONE 24.999338274718422 1 1.0 0.0 2.876661007178427e-06 -2.892730000536581e-07 2.888913996912379e-06 -3.267420000119259e-07
shell4_X4_Y1_Z1_mono2_fix1//test20tig_AVDZ_AVQZfit/ DONE 24.999338274718422 1 1.0 0.0 2.876661007178427e-06 -2.892730000536581e-07 2.888913996912379e-06 -3.267420000119259e-07
shell4_X-2_Y-2_Z4_mono0_fix1//test20tig_AVDZ_AVQZfit/ DONE 25.147885189038714 1 1.0 0.0 3.5976399956894056e-06 -3.307819999576189e-07 3.6147470012792837e-06 -3.7518599999009083e-07
shell4_X2_Y2_Z-4_mono0_fix1//test20tig_AVDZ_AVQZfit/ DONE 25.147885189038714 1 1.0 0.0 3.5976399956894056e-06 -3.307819999576189e-07 3.6147470012792837e-06 -3.7518599999009083e-07
shell4_X-2_Y4_Z-2_mono0_fix1//test20tig_AVDZ_AVQZfit/ DONE 25.147885189038714 1 1.0 0.0 3.5976399956894056e-06 -3.307819999576189e-07 3.6147470012792837e-06 -3.7518599999009083e-07
shell4_X2_Y-4_Z2_mono0_fix1//test20tig_AVDZ_AVQZfit/ DONE 25.147885189038714 1 1.0 0.0 3.5976399956894056e-06 -3.307819999576189e-07 3.6147470012792837e-06 -3.7518599999009083e-07
shell4_X-4_Y2_Z2_mono0_fix1//test20tig_AVDZ_AVQZfit/ DONE 25.147885189038714 1 1.0 0.0 3.5976399956894056e-06 -3.307819999576189e-07 3.6147470012792837e-06 -3.7518599999009083e-07
shell4_X4_Y-2_Z-2_mono0_fix1//test20tig_AVDZ_AVQZfit/ DONE 25.147885189038714 1 1.0 0.0 3.5976399956894056e-06 -3.307819999576189e-07 3.6147470012792837e-06 -3.7518599999009083e-07
shell4_X-2_Y2_Z-4_mono0_fix1//test20tig_AVDZ_AVQZfit/ DONE 25.150504775551582 1 1.0 0.0 1.101485011645309e-06 -1.1663099996894744e-07 1.1074100072505644e-06 -1.297089999852119e-07
shell4_X2_Y-2_Z4_mono0_fix1//test20tig_AVDZ_AVQZfit/ DONE 25.150504775551582 1 1.0 0.0 1.101485011645309e-06 -1.1663099996894744e-07 1.1074100072505644e-06 -1.297089999852119e-07
shell4_X-2_Y4_Z2_mono0_fix1//test20tig_AVDZ_AVQZfit/ DONE 25.150504775551582 1 1.0 0.0 1.101485011645309e-06 -1.1663099996894744e-07 1.1074100072505644e-06 -1.297089999852119e-07
shell4_X2_Y-4_Z-2_mono0_fix1//test20tig_AVDZ_AVQZfit/ DONE 25.150504775551582 1 1.0 0.0 1.101485011645309e-06 -1.1663099996894744e-07 1.1074100072505644e-06 -1.297089999852119e-07
shell4_X-4_Y-2_Z2_mono0_fix1//test20tig_AVDZ_AVQZfit/ DONE 25.150504775551582 1 1.0 0.0 1.101485011645309e-06 -1.1663099996894744e-07 1.1074100072505644e-06 -1.297089999852119e-07
shell4_X4_Y2_Z-2_mono0_fix1//test20tig_AVDZ_AVQZfit/ DONE 25.150504775551582 1 1.0 0.0 1.101485011645309e-06 -1.1663099996894744e-07 1.1074100072505644e-06 -1.297089999852119e-07
shell4_X2_Y-2_Z-4_mono0_fix1//test20tig_AVDZ_AVQZfit/ DONE 25.15050688123208 1 1.0 0.0 1.1614460007081107e-06 -1.1892799994805969e-07 1.165618009224545e-06 -1.341539999644148e-07
shell4_X-2_Y2_Z4_mono0_fix1//test20tig_AVDZ_AVQZfit/ DONE 25.15050688123208 1 1.0 0.0 1.1614460007081107e-06 -1.1892799994805969e-07 1.165618009224545e-06 -1.341539999644148e-07
shell4_X-4_Y2_Z-2_mono0_fix1//test20tig_AVDZ_AVQZfit/ DONE 25.15050688123208 1 1.0 0.0 1.1614460007081107e-06 -1.1892799994805969e-07 1.165618009224545e-06 -1.341539999644148e-07
shell4_X-2_Y-4_Z2_mono0_fix1//test20tig_AVDZ_AVQZfit/ DONE 25.15050688123208 1 1.0 0.0 1.1614460007081107e-06 -1.1892799994805969e-07 1.165618009224545e-06 -1.341539999644148e-07
shell4_X2_Y4_Z-2_mono0_fix1//test20tig_AVDZ_AVQZfit/ DONE 25.15050688123208 1 1.0 0.0 1.1614460007081107e-06 -1.1892799994805969e-07 1.165618009224545e-06 -1.341539999644148e-07
shell4_X4_Y-2_Z2_mono0_fix1//test20tig_AVDZ_AVQZfit/ DONE 25.15050688123208 1 1.0 0.0 1.1614460007081107e-06 -1.1892799994805969e-07 1.165618009224545e-06 -1.341539999644148e-07
shell4_X-4_Y-2_Z-2_mono0_fix1//test20tig_AVDZ_AVQZfit/ DONE 25.15834749699458 1 1.0 0.0 -5.809331995010325e-06 5.443280000627659e-07 -5.83844399670852e-06 6.163609999887409e-07
shell4_X-2_Y-2_Z-4_mono0_fix1//test20tig_AVDZ_AVQZfit/ DONE 25.15834749699458 1 1.0 0.0 -5.809331995010325e-06 5.443280000627659e-07 -5.83844399670852e-06 6.163609999887409e-07
shell4_X2_Y2_Z4_mono0_fix1//test20tig_AVDZ_AVQZfit/ DONE 25.15834749699458 1 1.0 0.0 -5.809331995010325e-06 5.443280000627659e-07 -5.83844399670852e-06 6.163609999887409e-07
shell4_X-2_Y-4_Z-2_mono0_fix1//test20tig_AVDZ_AVQZfit/ DONE 25.15834749699458 1 1.0 0.0 -5.809331995010325e-06 5.443280000627659e-07 -5.83844399670852e-06 6.163609999887409e-07
shell4_X2_Y4_Z2_mono0_fix1//test20tig_AVDZ_AVQZfit/ DONE 25.15834749699458 1 1.0 0.0 -5.809331995010325e-06 5.443280000627659e-07 -5.83844399670852e-06 6.163609999887409e-07
shell4_X4_Y2_Z2_mono0_fix1//test20tig_AVDZ_AVQZfit/ DONE 25.15834749699458 1 1.0 0.0 -5.809331995010325e-06 5.443280000627659e-07 -5.83844399670852e-06 6.163609999887409e-07
shell4_X-4_Y-3_Z-2_mono3_fix1//test20tig_AVDZ_AVQZfit/ DONE 25.289449839199225 1 1.0 0.0 5.3148669962865824e-06 -4.427779999316428e-07 5.346070999223684e-06 -5.023299999851183e-07
shell4_X1_Y-4_Z-3_mono1_fix1//test20tig_AVDZ_AVQZfit/ DONE 25.289449839199225 1 1.0 0.0 5.3148669962865824e-06 -4.427779999316428e-07 5.346070999223684e-06 -5.023299999851183e-07
shell4_X-2_Y-4_Z-3_mono1_fix1//test20tig_AVDZ_AVQZfit/ DONE 25.289449839199225 1 1.0 0.0 5.3148669962865824e-06 -4.427779999316428e-07 5.346070999223684e-06 -5.023299999851183e-07
shell4_X-3_Y1_Z-4_mono2_fix1//test20tig_AVDZ_AVQZfit/ DONE 25.289449839199225 1 1.0 0.0 5.3148669962865824e-06 -4.427779999316428e-07 5.346070999223684e-06 -5.023299999851183e-07
shell4_X-4_Y-3_Z1_mono3_fix1//test20tig_AVDZ_AVQZfit/ DONE 25.289449839199225 1 1.0 0.0 5.3148669962865824e-06 -4.427779999316428e-07 5.346070999223684e-06 -5.023299999851183e-07
shell4_X-3_Y-2_Z-4_mono2_fix1//test20tig_AVDZ_AVQZfit/ DONE 25.289449839199225 1 1.0 0.0 5.3148669962865824e-06 -4.427779999316428e-07 5.346070999223684e-06 -5.023299999851183e-07
shell4_X-4_Y-2_Z-3_mono3_fix1//test20tig_AVDZ_AVQZfit/ DONE 25.30765873774263 1 1.0 0.0 2.16434599309423e-06 -2.134570000200675e-07 2.1719080010029757e-06 -2.4223300001957604e-07
shell4_X-2_Y2_Z-4_mono2_fix1//test20tig_AVDZ_AVQZfit/ DONE 25.30765873774263 1 1.0 0.0 2.16434599309423e-06 -2.134570000200675e-07 2.1719080010029757e-06 -2.4223300001957604e-07
shell4_X2_Y-4_Z-2_mono1_fix1//test20tig_AVDZ_AVQZfit/ DONE 25.30765873774263 1 1.0 0.0 2.16434599309423e-06 -2.134570000200675e-07 2.1719080010029757e-06 -2.4223300001957604e-07
shell4_X-3_Y-4_Z-2_mono1_fix1//test20tig_AVDZ_AVQZfit/ DONE 25.30765873774263 1 1.0 0.0 2.16434599309423e-06 -2.134570000200675e-07 2.1719080010029757e-06 -2.4223300001957604e-07
shell4_X-2_Y-3_Z-4_mono2_fix1//test20tig_AVDZ_AVQZfit/ DONE 25.30765873774263 1 1.0 0.0 2.16434599309423e-06 -2.134570000200675e-07 2.1719080010029757e-06 -2.4223300001957604e-07
shell4_X-4_Y-2_Z2_mono3_fix1//test20tig_AVDZ_AVQZfit/ DONE 25.30765873774263 1 1.0 0.0 2.16434599309423e-06 -2.134570000200675e-07 2.1719080010029757e-06 -2.4223300001957604e-07
shell4_X3_Y0_Z-4_mono1_fix1//test20tig_AVDZ_AVQZfit/ DONE 25.34443707486923 1 1.0 0.0 -1.9122070042953965e-06 1.1963400003978109e-07 -1.9265970010451383e-06 1.3831700004796055e-07
shell4_X-4_Y0_Z-4_mono1_fix1//test20tig_AVDZ_AVQZfit/ DONE 25.34443707486923 1 1.0 0.0 -1.9122070042953965e-06 1.1963400003978109e-07 -1.9265970010451383e-06 1.3831700004796055e-07
shell4_X-4_Y3_Z0_mono2_fix1//test20tig_AVDZ_AVQZfit/ DONE 25.34443707486923 1 1.0 0.0 -1.9122070042953965e-06 1.1963400003978109e-07 -1.9265970010451383e-06 1.3831700004796055e-07
shell4_X0_Y-4_Z3_mono3_fix1//test20tig_AVDZ_AVQZfit/ DONE 25.34443707486923 1 1.0 0.0 -1.9122070042953965e-06 1.1963400003978109e-07 -1.9265970010451383e-06 1.3831700004796055e-07
shell4_X0_Y-4_Z-4_mono3_fix1//test20tig_AVDZ_AVQZfit/ DONE 25.34443707486923 1 1.0 0.0 -1.9122070042953965e-06 1.1963400003978109e-07 -1.9265970010451383e-06 1.3831700004796055e-07
shell4_X-4_Y-4_Z0_mono2_fix1//test20tig_AVDZ_AVQZfit/ DONE 25.34443707486923 1 1.0 0.0 -1.9122070042953965e-06 1.1963400003978109e-07 -1.9265970010451383e-06 1.3831700004796055e-07
shell4_X2_Y-4_Z1_mono1_fix1//test20tig_AVDZ_AVQZfit/ DONE 25.36204651738462 1 1.0 0.0 -1.6441829941982178e-06 1.1392999998971476e-07 -1.6560390037057005e-06 1.307550000217983e-07
shell4_X-3_Y-4_Z1_mono1_fix1//test20tig_AVDZ_AVQZfit/ DONE 25.36204651738462 1 1.0 0.0 -1.6441829941982178e-06 1.1392999998971476e-07 -1.6560390037057005e-06 1.307550000217983e-07
shell4_X1_Y2_Z-4_mono2_fix1//test20tig_AVDZ_AVQZfit/ DONE 25.36204651738462 1 1.0 0.0 -1.6441829941982178e-06 1.1392999998971476e-07 -1.6560390037057005e-06 1.307550000217983e-07
shell4_X1_Y-3_Z-4_mono2_fix1//test20tig_AVDZ_AVQZfit/ DONE 25.36204651738462 1 1.0 0.0 -1.6441829941982178e-06 1.1392999998971476e-07 -1.6560390037057005e-06 1.307550000217983e-07
shell4_X-4_Y1_Z2_mono3_fix1//test20tig_AVDZ_AVQZfit/ DONE 25.36204651738462 1 1.0 0.0 -1.6441829941982178e-06 1.1392999998971476e-07 -1.6560390037057005e-06 1.307550000217983e-07
shell4_X-4_Y1_Z-3_mono3_fix1//test20tig_AVDZ_AVQZfit/ DONE 25.36204651738462 1 1.0 0.0 -1.6441829941982178e-06 1.1392999998971476e-07 -1.6560390037057005e-06 1.307550000217983e-07
shell4_X-2_Y-1_Z4_mono3_fix1//test20tig_AVDZ_AVQZfit/ DONE 25.364375718477277 1 1.0 0.0 -3.8317790043151945e-06 3.037430000296659e-07 -3.857281996033635e-06 3.450400000160059e-07
shell4_X-1_Y4_Z-2_mono2_fix1//test20tig_AVDZ_AVQZfit/ DONE 25.364375718477277 1 1.0 0.0 -3.8317790043151945e-06 3.037430000296659e-07 -3.857281996033635e-06 3.450400000160059e-07
shell4_X4_Y-2_Z-1_mono1_fix1//test20tig_AVDZ_AVQZfit/ DONE 25.364375718477277 1 1.0 0.0 -3.8317790043151945e-06 3.037430000296659e-07 -3.857281996033635e-06 3.450400000160059e-07
shell4_X2_Y1_Z-4_mono2_fix1//test20tig_AVDZ_AVQZfit/ DONE 25.380054743265156 1 1.0 0.0 -1.4226400040229237e-06 1.0914799997152613e-07 -1.431480995961465e-06 1.2518000000460994e-07
shell4_X-2_Y-4_Z2_mono1_fix1//test20tig_AVDZ_AVQZfit/ DONE 25.380054743265156 1 1.0 0.0 -1.4226400040229237e-06 1.0914799997152613e-07 -1.431480995961465e-06 1.2518000000460994e-07
shell4_X1_Y-4_Z2_mono1_fix1//test20tig_AVDZ_AVQZfit/ DONE 25.380054743265156 1 1.0 0.0 -1.4226400040229237e-06 1.0914799997152613e-07 -1.431480995961465e-06 1.2518000000460994e-07
shell4_X2_Y-2_Z-4_mono2_fix1//test20tig_AVDZ_AVQZfit/ DONE 25.380054743265156 1 1.0 0.0 -1.4226400040229237e-06 1.0914799997152613e-07 -1.431480995961465e-06 1.2518000000460994e-07
shell4_X-4_Y2_Z-2_mono3_fix1//test20tig_AVDZ_AVQZfit/ DONE 25.380054743265156 1 1.0 0.0 -1.4226400040229237e-06 1.0914799997152613e-07 -1.431480995961465e-06 1.2518000000460994e-07
shell4_X-4_Y2_Z1_mono3_fix1//test20tig_AVDZ_AVQZfit/ DONE 25.380054743265156 1 1.0 0.0 -1.4226400040229237e-06 1.0914799997152613e-07 -1.431480995961465e-06 1.2518000000460994e-07
shell4_X-2_Y0_Z4_mono3_fix1//test20tig_AVDZ_AVQZfit/ DONE 25.383182280662012 1 1.0 0.0 -4.0993690078039435e-06 3.489540000845004e-07 -4.1232979981487006e-06 3.9660399997476503e-07
shell4_X0_Y4_Z-2_mono2_fix1//test20tig_AVDZ_AVQZfit/ DONE 25.383182280662012 1 1.0 0.0 -4.0993690078039435e-06 3.489540000845004e-07 -4.1232979981487006e-06 3.9660399997476503e-07
shell4_X4_Y-2_Z0_mono1_fix1//test20tig_AVDZ_AVQZfit/ DONE 25.383182280662012 1 1.0 0.0 -4.0993690078039435e-06 3.489540000845004e-07 -4.1232979981487006e-06 3.9660399997476503e-07
shell4_X-3_Y1_Z4_mono2_fix1//test20tig_AVDZ_AVQZfit/ DONE 25.438488942539838 1 1.0 0.0 -8.495759971083316e-07 9.166900000190381e-08 -8.515979956769115e-07 1.0481400000705854e-07
shell4_X4_Y-3_Z-2_mono3_fix1//test20tig_AVDZ_AVQZfit/ DONE 25.438488942539838 1 1.0 0.0 -8.495759971083316e-07 9.166900000190381e-08 -8.515979956769115e-07 1.0481400000705854e-07
shell4_X-2_Y4_Z-3_mono1_fix1//test20tig_AVDZ_AVQZfit/ DONE 25.438488942539838 1 1.0 0.0 -8.495759971083316e-07 9.166900000190381e-08 -8.515979956769115e-07 1.0481400000705854e-07
shell4_X1_Y4_Z-3_mono1_fix1//test20tig_AVDZ_AVQZfit/ DONE 25.438488942539838 1 1.0 0.0 -8.495759971083316e-07 9.166900000190381e-08 -8.515979956769115e-07 1.0481400000705854e-07
shell4_X-3_Y-2_Z4_mono2_fix1//test20tig_AVDZ_AVQZfit/ DONE 25.438488942539838 1 1.0 0.0 -8.495759971083316e-07 9.166900000190381e-08 -8.515979956769115e-07 1.0481400000705854e-07
shell4_X4_Y-3_Z1_mono3_fix1//test20tig_AVDZ_AVQZfit/ DONE 25.438488942539838 1 1.0 0.0 -8.495759971083316e-07 9.166900000190381e-08 -8.515979956769115e-07 1.0481400000705854e-07
shell4_X-1_Y4_Z2_mono2_fix1//test20tig_AVDZ_AVQZfit/ DONE 25.441067936639023 1 1.0 0.0 -3.096189004736516e-06 3.187939999760303e-07 -3.1084629910083095e-06 3.6080800000504176e-07
shell4_X2_Y-1_Z4_mono3_fix1//test20tig_AVDZ_AVQZfit/ DONE 25.441067936639023 1 1.0 0.0 -3.096189004736516e-06 3.187939999760303e-07 -3.1084629910083095e-06 3.6080800000504176e-07
shell4_X4_Y2_Z-1_mono1_fix1//test20tig_AVDZ_AVQZfit/ DONE 25.441067936639023 1 1.0 0.0 -3.096189004736516e-06 3.187939999760303e-07 -3.1084629910083095e-06 3.6080800000504176e-07
shell4_X0_Y-2_Z4_mono1_fix1//test20tig_AVDZ_AVQZfit/ DONE 25.45790204774247 1 1.0 0.0 1.0040699294222577e-07 9.540000067698173e-09 1.0117599913428421e-07 9.54900000738057e-09
shell4_X-2_Y4_Z0_mono3_fix1//test20tig_AVDZ_AVQZfit/ DONE 25.45790204774247 1 1.0 0.0 1.0040699294222577e-07 9.540000067698173e-09 1.0117599913428421e-07 9.54900000738057e-09
shell4_X-2_Y4_Z-1_mono3_fix1//test20tig_AVDZ_AVQZfit/ DONE 25.45790204774247 1 1.0 0.0 1.0040699294222577e-07 9.540000067698173e-09 1.0117599913428421e-07 9.54900000738057e-09
shell4_X4_Y-1_Z-2_mono2_fix1//test20tig_AVDZ_AVQZfit/ DONE 25.45790204774247 1 1.0 0.0 1.0040699294222577e-07 9.540000067698173e-09 1.0117599913428421e-07 9.54900000738057e-09
shell4_X-1_Y-2_Z4_mono1_fix1//test20tig_AVDZ_AVQZfit/ DONE 25.45790204774247 1 1.0 0.0 1.0040699294222577e-07 9.540000067698173e-09 1.0117599913428421e-07 9.54900000738057e-09
shell4_X4_Y0_Z-2_mono2_fix1//test20tig_AVDZ_AVQZfit/ DONE 25.45790204774247 1 1.0 0.0 1.0040699294222577e-07 9.540000067698173e-09 1.0117599913428421e-07 9.54900000738057e-09
shell4_X-2_Y2_Z4_mono2_fix1//test20tig_AVDZ_AVQZfit/ DONE 25.458976048896115 1 1.0 0.0 -6.725650010253048e-07 8.528799999574233e-08 -6.732890014404802e-07 9.658400001999468e-08
shell4_X2_Y4_Z-2_mono1_fix1//test20tig_AVDZ_AVQZfit/ DONE 25.458976048896115 1 1.0 0.0 -6.725650010253048e-07 8.528799999574233e-08 -6.732890014404802e-07 9.658400001999468e-08
shell4_X-3_Y4_Z-2_mono1_fix1//test20tig_AVDZ_AVQZfit/ DONE 25.458976048896115 1 1.0 0.0 -6.725650010253048e-07 8.528799999574233e-08 -6.732890014404802e-07 9.658400001999468e-08
shell4_X-2_Y-3_Z4_mono2_fix1//test20tig_AVDZ_AVQZfit/ DONE 25.458976048896115 1 1.0 0.0 -6.725650010253048e-07 8.528799999574233e-08 -6.732890014404802e-07 9.658400001999468e-08
shell4_X4_Y-2_Z2_mono3_fix1//test20tig_AVDZ_AVQZfit/ DONE 25.458976048896115 1 1.0 0.0 -6.725650010253048e-07 8.528799999574233e-08 -6.732890014404802e-07 9.658400001999468e-08
shell4_X4_Y-2_Z-3_mono3_fix1//test20tig_AVDZ_AVQZfit/ DONE 25.458976048896115 1 1.0 0.0 -6.725650010253048e-07 8.528799999574233e-08 -6.732890014404802e-07 9.658400001999468e-08
shell4_X4_Y2_Z0_mono1_fix1//test20tig_AVDZ_AVQZfit/ DONE 25.461083902377183 1 1.0 0.0 -2.32329099958406e-06 2.5765600003557765e-07 -2.330949996576237e-06 2.911719999831863e-07
shell4_X0_Y4_Z2_mono2_fix1//test20tig_AVDZ_AVQZfit/ DONE 25.461083902377183 1 1.0 0.0 -2.32329099958406e-06 2.5765600003557765e-07 -2.330949996576237e-06 2.911719999831863e-07
shell4_X2_Y0_Z4_mono3_fix1//test20tig_AVDZ_AVQZfit/ DONE 25.461083902377183 1 1.0 0.0 -2.32329099958406e-06 2.5765600003557765e-07 -2.330949996576237e-06 2.911719999831863e-07
shell4_X0_Y3_Z-4_mono3_fix1//test20tig_AVDZ_AVQZfit/ DONE 25.480299168243118 1 1.0 0.0 -5.465250012548495e-07 7.96810000203152e-08 -5.450870048662182e-07 9.073200002429616e-08
shell4_X3_Y-4_Z0_mono2_fix1//test20tig_AVDZ_AVQZfit/ DONE 25.480299168243118 1 1.0 0.0 -5.465250012548495e-07 7.96810000203152e-08 -5.450870048662182e-07 9.073200002429616e-08
shell4_X-4_Y0_Z3_mono1_fix1//test20tig_AVDZ_AVQZfit/ DONE 25.480299168243118 1 1.0 0.0 -5.465250012548495e-07 7.96810000203152e-08 -5.450870048662182e-07 9.073200002429616e-08
shell4_X1_Y2_Z4_mono2_fix1//test20tig_AVDZ_AVQZfit/ DONE 25.520617503919887 1 1.0 0.0 2.2017979972588364e-06 -2.1408299999414737e-07 2.21088400564895e-06 -2.4267300000047065e-07
shell4_X2_Y4_Z1_mono1_fix1//test20tig_AVDZ_AVQZfit/ DONE 25.520617503919887 1 1.0 0.0 2.2017979972588364e-06 -2.1408299999414737e-07 2.21088400564895e-06 -2.4267300000047065e-07
shell4_X-3_Y4_Z1_mono1_fix1//test20tig_AVDZ_AVQZfit/ DONE 25.520617503919887 1 1.0 0.0 2.2017979972588364e-06 -2.1408299999414737e-07 2.21088400564895e-06 -2.4267300000047065e-07
shell4_X4_Y1_Z2_mono3_fix1//test20tig_AVDZ_AVQZfit/ DONE 25.520617503919887 1 1.0 0.0 2.2017979972588364e-06 -2.1408299999414737e-07 2.21088400564895e-06 -2.4267300000047065e-07
shell4_X4_Y1_Z-3_mono3_fix1//test20tig_AVDZ_AVQZfit/ DONE 25.520617503919887 1 1.0 0.0 2.2017979972588364e-06 -2.1408299999414737e-07 2.21088400564895e-06 -2.4267300000047065e-07
shell4_X1_Y-3_Z4_mono2_fix1//test20tig_AVDZ_AVQZfit/ DONE 25.520617503919887 1 1.0 0.0 2.2017979972588364e-06 -2.1408299999414737e-07 2.21088400564895e-06 -2.4267300000047065e-07
shell4_X2_Y4_Z0_mono3_fix1//test20tig_AVDZ_AVQZfit/ DONE 25.540981186237033 1 1.0 0.0 3.901806998385382e-06 -4.1464599997986795e-07 3.916088999744716e-06 -4.679179999855787e-07
shell4_X2_Y4_Z-1_mono3_fix1//test20tig_AVDZ_AVQZfit/ DONE 25.540981186237033 1 1.0 0.0 3.901806998385382e-06 -4.1464599997986795e-07 3.916088999744716e-06 -4.679179999855787e-07
shell4_X0_Y2_Z4_mono1_fix1//test20tig_AVDZ_AVQZfit/ DONE 25.540981186237033 1 1.0 0.0 3.901806998385382e-06 -4.1464599997986795e-07 3.916088999744716e-06 -4.679179999855787e-07
shell4_X-1_Y2_Z4_mono1_fix1//test20tig_AVDZ_AVQZfit/ DONE 25.540981186237033 1 1.0 0.0 3.901806998385382e-06 -4.1464599997986795e-07 3.916088999744716e-06 -4.679179999855787e-07
shell4_X4_Y0_Z2_mono2_fix1//test20tig_AVDZ_AVQZfit/ DONE 25.540981186237033 1 1.0 0.0 3.901806998385382e-06 -4.1464599997986795e-07 3.916088999744716e-06 -4.679179999855787e-07
shell4_X4_Y-1_Z2_mono2_fix1//test20tig_AVDZ_AVQZfit/ DONE 25.540981186237033 1 1.0 0.0 3.901806998385382e-06 -4.1464599997986795e-07 3.916088999744716e-06 -4.679179999855787e-07
shell4_X2_Y-2_Z4_mono2_fix1//test20tig_AVDZ_AVQZfit/ DONE 25.54118090860115 1 1.0 0.0 3.7189650043956135e-06 -3.93537000042965e-07 3.7320350045888517e-06 -4.447680000130294e-07
shell4_X-2_Y4_Z2_mono1_fix1//test20tig_AVDZ_AVQZfit/ DONE 25.54118090860115 1 1.0 0.0 3.7189650043956135e-06 -3.93537000042965e-07 3.7320350045888517e-06 -4.447680000130294e-07
shell4_X4_Y2_Z1_mono3_fix1//test20tig_AVDZ_AVQZfit/ DONE 25.54118090860115 1 1.0 0.0 3.7189650043956135e-06 -3.93537000042965e-07 3.7320350045888517e-06 -4.447680000130294e-07
shell4_X2_Y1_Z4_mono2_fix1//test20tig_AVDZ_AVQZfit/ DONE 25.54118090860115 1 1.0 0.0 3.7189650043956135e-06 -3.93537000042965e-07 3.7320350045888517e-06 -4.447680000130294e-07
shell4_X4_Y2_Z-2_mono3_fix1//test20tig_AVDZ_AVQZfit/ DONE 25.54118090860115 1 1.0 0.0 3.7189650043956135e-06 -3.93537000042965e-07 3.7320350045888517e-06 -4.447680000130294e-07
shell4_X1_Y4_Z2_mono1_fix1//test20tig_AVDZ_AVQZfit/ DONE 25.54118090860115 1 1.0 0.0 3.7189650043956135e-06 -3.93537000042965e-07 3.7320350045888517e-06 -4.447680000130294e-07
shell4_X0_Y-3_Z4_mono0_fix1//test20tig_AVDZ_AVQZfit/ DONE 25.66604843987512 1 1.0 0.0 3.23100699972656e-06 -2.9854600008816234e-07 3.2466660044860873e-06 -3.382619999936498e-07
shell4_X3_Y-4_Z0_mono0_fix1//test20tig_AVDZ_AVQZfit/ DONE 25.66604843987512 1 1.0 0.0 3.23100699972656e-06 -2.9854600008816234e-07 3.2466660044860873e-06 -3.382619999936498e-07
shell4_X0_Y3_Z-4_mono0_fix1//test20tig_AVDZ_AVQZfit/ DONE 25.66604843987512 1 1.0 0.0 3.23100699972656e-06 -2.9854600008816234e-07 3.2466660044860873e-06 -3.382619999936498e-07
shell4_X-3_Y4_Z0_mono0_fix1//test20tig_AVDZ_AVQZfit/ DONE 25.66604843987512 1 1.0 0.0 3.23100699972656e-06 -2.9854600008816234e-07 3.2466660044860873e-06 -3.382619999936498e-07
shell4_X-4_Y0_Z3_mono0_fix1//test20tig_AVDZ_AVQZfit/ DONE 25.66604843987512 1 1.0 0.0 3.23100699972656e-06 -2.9854600008816234e-07 3.2466660044860873e-06 -3.382619999936498e-07
shell4_X4_Y0_Z-3_mono0_fix1//test20tig_AVDZ_AVQZfit/ DONE 25.66604843987512 1 1.0 0.0 3.23100699972656e-06 -2.9854600008816234e-07 3.2466660044860873e-06 -3.382619999936498e-07
shell4_X0_Y-4_Z3_mono0_fix1//test20tig_AVDZ_AVQZfit/ DONE 25.666049256652716 1 1.0 0.0 3.2524039994541454e-06 -2.993350000091155e-07 3.2674580054958824e-06 -3.398549999755751e-07
shell4_X-3_Y0_Z4_mono0_fix1//test20tig_AVDZ_AVQZfit/ DONE 25.666049256652716 1 1.0 0.0 3.2524039994541454e-06 -2.993350000091155e-07 3.2674580054958824e-06 -3.398549999755751e-07
shell4_X-4_Y3_Z0_mono0_fix1//test20tig_AVDZ_AVQZfit/ DONE 25.666049256652716 1 1.0 0.0 3.2524039994541454e-06 -2.993350000091155e-07 3.2674580054958824e-06 -3.398549999755751e-07
shell4_X4_Y-3_Z0_mono0_fix1//test20tig_AVDZ_AVQZfit/ DONE 25.666049256652716 1 1.0 0.0 3.2524039994541454e-06 -2.993350000091155e-07 3.2674580054958824e-06 -3.398549999755751e-07
shell4_X0_Y4_Z-3_mono0_fix1//test20tig_AVDZ_AVQZfit/ DONE 25.666049256652716 1 1.0 0.0 3.2524039994541454e-06 -2.993350000091155e-07 3.2674580054958824e-06 -3.398549999755751e-07
shell4_X3_Y0_Z-4_mono0_fix1//test20tig_AVDZ_AVQZfit/ DONE 25.666049256652716 1 1.0 0.0 3.2524039994541454e-06 -2.993350000091155e-07 3.2674580054958824e-06 -3.398549999755751e-07
shell4_X-4_Y-3_Z0_mono0_fix1//test20tig_AVDZ_AVQZfit/ DONE 25.67343410572333 1 1.0 0.0 -3.238616002931849e-06 2.890870000049617e-07 -3.2547259962711905e-06 3.2921599998902984e-07
shell4_X4_Y3_Z0_mono0_fix1//test20tig_AVDZ_AVQZfit/ DONE 25.67343410572333 1 1.0 0.0 -3.238616002931849e-06 2.890870000049617e-07 -3.2547259962711905e-06 3.2921599998902984e-07
shell4_X0_Y-4_Z-3_mono0_fix1//test20tig_AVDZ_AVQZfit/ DONE 25.67343410572333 1 1.0 0.0 -3.238616002931849e-06 2.890870000049617e-07 -3.2547259962711905e-06 3.2921599998902984e-07
shell4_X0_Y4_Z3_mono0_fix1//test20tig_AVDZ_AVQZfit/ DONE 25.67343410572333 1 1.0 0.0 -3.238616002931849e-06 2.890870000049617e-07 -3.2547259962711905e-06 3.2921599998902984e-07
shell4_X-3_Y0_Z-4_mono0_fix1//test20tig_AVDZ_AVQZfit/ DONE 25.67343410572333 1 1.0 0.0 -3.238616002931849e-06 2.890870000049617e-07 -3.2547259962711905e-06 3.2921599998902984e-07
shell4_X3_Y0_Z4_mono0_fix1//test20tig_AVDZ_AVQZfit/ DONE 25.67343410572333 1 1.0 0.0 -3.238616002931849e-06 2.890870000049617e-07 -3.2547259962711905e-06 3.2921599998902984e-07
shell4_X0_Y-3_Z-4_mono0_fix1//test20tig_AVDZ_AVQZfit/ DONE 25.673434907100788 1 1.0 0.0 -3.2166069985350987e-06 2.880709999986131e-07 -3.2333749970803183e-06 3.275860000206965e-07
shell4_X4_Y0_Z3_mono0_fix1//test20tig_AVDZ_AVQZfit/ DONE 25.673434907100788 1 1.0 0.0 -3.2166069985350987e-06 2.880709999986131e-07 -3.2333749970803183e-06 3.275860000206965e-07
shell4_X-3_Y-4_Z0_mono0_fix1//test20tig_AVDZ_AVQZfit/ DONE 25.673434907100788 1 1.0 0.0 -3.2166069985350987e-06 2.880709999986131e-07 -3.2333749970803183e-06 3.275860000206965e-07
shell4_X3_Y4_Z0_mono0_fix1//test20tig_AVDZ_AVQZfit/ DONE 25.673434907100788 1 1.0 0.0 -3.2166069985350987e-06 2.880709999986131e-07 -3.2333749970803183e-06 3.275860000206965e-07
shell4_X-4_Y0_Z-3_mono0_fix1//test20tig_AVDZ_AVQZfit/ DONE 25.673434907100788 1 1.0 0.0 -3.2166069985350987e-06 2.880709999986131e-07 -3.2333749970803183e-06 3.275860000206965e-07
shell4_X0_Y3_Z4_mono0_fix1//test20tig_AVDZ_AVQZfit/ DONE 25.673434907100788 1 1.0 0.0 -3.2166069985350987e-06 2.880709999986131e-07 -3.2333749970803183e-06 3.275860000206965e-07
shell4_X-1_Y-4_Z-4_mono3_fix1//test20tig_AVDZ_AVQZfit/ DONE 25.84053646616879 1 1.0 0.0 -7.141980020719529e-07 1.5067000036506073e-08 -7.226169955742989e-07 1.939000005002356e-08
shell4_X-4_Y-1_Z-4_mono1_fix1//test20tig_AVDZ_AVQZfit/ DONE 25.84053646616879 1 1.0 0.0 -7.141980020719529e-07 1.5067000036506073e-08 -7.226169955742989e-07 1.939000005002356e-08
shell4_X3_Y-1_Z-4_mono1_fix1//test20tig_AVDZ_AVQZfit/ DONE 25.84053646616879 1 1.0 0.0 -7.141980020719529e-07 1.5067000036506073e-08 -7.226169955742989e-07 1.939000005002356e-08
shell4_X-4_Y3_Z-1_mono2_fix1//test20tig_AVDZ_AVQZfit/ DONE 25.84053646616879 1 1.0 0.0 -7.141980020719529e-07 1.5067000036506073e-08 -7.226169955742989e-07 1.939000005002356e-08
shell4_X-4_Y-4_Z-1_mono2_fix1//test20tig_AVDZ_AVQZfit/ DONE 25.84053646616879 1 1.0 0.0 -7.141980020719529e-07 1.5067000036506073e-08 -7.226169955742989e-07 1.939000005002356e-08
shell4_X-1_Y-4_Z3_mono3_fix1//test20tig_AVDZ_AVQZfit/ DONE 25.84053646616879 1 1.0 0.0 -7.141980020719529e-07 1.5067000036506073e-08 -7.226169955742989e-07 1.939000005002356e-08
shell4_X-4_Y1_Z-4_mono1_fix1//test20tig_AVDZ_AVQZfit/ DONE 25.87650853577443 1 1.0 0.0 -2.4083149980924645e-06 1.8118799999244928e-07 -2.423679994478789e-06 2.0770899997191172e-07
shell4_X1_Y-4_Z-4_mono3_fix1//test20tig_AVDZ_AVQZfit/ DONE 25.87650853577443 1 1.0 0.0 -2.4083149980924645e-06 1.8118799999244928e-07 -2.423679994478789e-06 2.0770899997191172e-07
shell4_X3_Y1_Z-4_mono1_fix1//test20tig_AVDZ_AVQZfit/ DONE 25.87650853577443 1 1.0 0.0 -2.4083149980924645e-06 1.8118799999244928e-07 -2.423679994478789e-06 2.0770899997191172e-07
shell4_X-4_Y3_Z1_mono2_fix1//test20tig_AVDZ_AVQZfit/ DONE 25.87650853577443 1 1.0 0.0 -2.4083149980924645e-06 1.8118799999244928e-07 -2.423679994478789e-06 2.0770899997191172e-07
shell4_X-4_Y-4_Z1_mono2_fix1//test20tig_AVDZ_AVQZfit/ DONE 25.87650853577443 1 1.0 0.0 -2.4083149980924645e-06 1.8118799999244928e-07 -2.423679994478789e-06 2.0770899997191172e-07
shell4_X1_Y-4_Z3_mono3_fix1//test20tig_AVDZ_AVQZfit/ DONE 25.87650853577443 1 1.0 0.0 -2.4083149980924645e-06 1.8118799999244928e-07 -2.423679994478789e-06 2.0770899997191172e-07
shell4_X-1_Y3_Z-4_mono3_fix1//test20tig_AVDZ_AVQZfit/ DONE 25.97167914587027 1 1.0 0.0 -1.3274079933012217e-06 1.4917899998634354e-07 -1.3301759906880761e-06 1.6957000001371902e-07
shell4_X3_Y-4_Z-1_mono2_fix1//test20tig_AVDZ_AVQZfit/ DONE 25.97167914587027 1 1.0 0.0 -1.3274079933012217e-06 1.4917899998634354e-07 -1.3301759906880761e-06 1.6957000001371902e-07
shell4_X-4_Y-1_Z3_mono1_fix1//test20tig_AVDZ_AVQZfit/ DONE 25.97167914587027 1 1.0 0.0 -1.3274079933012217e-06 1.4917899998634354e-07 -1.3301759906880761e-06 1.6957000001371902e-07
shell4_X3_Y-4_Z1_mono2_fix1//test20tig_AVDZ_AVQZfit/ DONE 26.011635703206558 1 1.0 0.0 3.8254599843412507e-07 -1.6344000042245455e-08 3.871009965905614e-07 -1.827100001849935e-08
shell4_X-4_Y1_Z3_mono1_fix1//test20tig_AVDZ_AVQZfit/ DONE 26.011635703206558 1 1.0 0.0 3.8254599843412507e-07 -1.6344000042245455e-08 3.871009965905614e-07 -1.827100001849935e-08
shell4_X1_Y3_Z-4_mono3_fix1//test20tig_AVDZ_AVQZfit/ DONE 26.011635703206558 1 1.0 0.0 3.8254599843412507e-07 -1.6344000042245455e-08 3.871009965905614e-07 -1.827100001849935e-08
shell4_X4_Y-1_Z-3_mono0_fix1//test20tig_AVDZ_AVQZfit/ DONE 26.173654016178613 1 1.0 0.0 3.1863169951407144e-06 -2.928099999133238e-07 3.201415999853907e-06 -3.322680000028555e-07
shell4_X1_Y3_Z-4_mono0_fix1//test20tig_AVDZ_AVQZfit/ DONE 26.173654016178613 1 1.0 0.0 3.1863169951407144e-06 -2.928099999133238e-07 3.201415999853907e-06 -3.322680000028555e-07
shell4_X-3_Y4_Z-1_mono0_fix1//test20tig_AVDZ_AVQZfit/ DONE 26.173654016178613 1 1.0 0.0 3.1863169951407144e-06 -2.928099999133238e-07 3.201415999853907e-06 -3.322680000028555e-07
shell4_X3_Y-4_Z1_mono0_fix1//test20tig_AVDZ_AVQZfit/ DONE 26.173654016178613 1 1.0 0.0 3.1863169951407144e-06 -2.928099999133238e-07 3.201415999853907e-06 -3.322680000028555e-07
shell4_X-4_Y1_Z3_mono0_fix1//test20tig_AVDZ_AVQZfit/ DONE 26.173654016178613 1 1.0 0.0 3.1863169951407144e-06 -2.928099999133238e-07 3.201415999853907e-06 -3.322680000028555e-07
shell4_X-1_Y-3_Z4_mono0_fix1//test20tig_AVDZ_AVQZfit/ DONE 26.173654016178613 1 1.0 0.0 3.1863169951407144e-06 -2.928099999133238e-07 3.201415999853907e-06 -3.322680000028555e-07
shell4_X-4_Y3_Z1_mono0_fix1//test20tig_AVDZ_AVQZfit/ DONE 26.173654041255748 1 1.0 0.0 3.185884999368227e-06 -2.928519999279011e-07 3.2010140031957235e-06 -3.32245999989933e-07
shell4_X-1_Y4_Z-3_mono0_fix1//test20tig_AVDZ_AVQZfit/ DONE 26.173654041255748 1 1.0 0.0 3.185884999368227e-06 -2.928519999279011e-07 3.2010140031957235e-06 -3.32245999989933e-07
shell4_X1_Y-4_Z3_mono0_fix1//test20tig_AVDZ_AVQZfit/ DONE 26.173654041255748 1 1.0 0.0 3.185884999368227e-06 -2.928519999279011e-07 3.2010140031957235e-06 -3.32245999989933e-07
shell4_X-3_Y-1_Z4_mono0_fix1//test20tig_AVDZ_AVQZfit/ DONE 26.173654041255748 1 1.0 0.0 3.185884999368227e-06 -2.928519999279011e-07 3.2010140031957235e-06 -3.32245999989933e-07
shell4_X4_Y-3_Z-1_mono0_fix1//test20tig_AVDZ_AVQZfit/ DONE 26.173654041255748 1 1.0 0.0 3.185884999368227e-06 -2.928519999279011e-07 3.2010140031957235e-06 -3.32245999989933e-07
shell4_X3_Y1_Z-4_mono0_fix1//test20tig_AVDZ_AVQZfit/ DONE 26.173654041255748 1 1.0 0.0 3.185884999368227e-06 -2.928519999279011e-07 3.2010140031957235e-06 -3.32245999989933e-07
shell4_X1_Y-3_Z4_mono0_fix1//test20tig_AVDZ_AVQZfit/ DONE 26.17423462799638 1 1.0 0.0 2.6593009962994074e-06 -2.4886200000739933e-07 2.672466997921674e-06 -2.8127099999109006e-07
shell4_X-1_Y3_Z-4_mono0_fix1//test20tig_AVDZ_AVQZfit/ DONE 26.17423462799638 1 1.0 0.0 2.6593009962994074e-06 -2.4886200000739933e-07 2.672466997921674e-06 -2.8127099999109006e-07
shell4_X-3_Y4_Z1_mono0_fix1//test20tig_AVDZ_AVQZfit/ DONE 26.17423462799638 1 1.0 0.0 2.6593009962994074e-06 -2.4886200000739933e-07 2.672466997921674e-06 -2.8127099999109006e-07
shell4_X3_Y-4_Z-1_mono0_fix1//test20tig_AVDZ_AVQZfit/ DONE 26.17423462799638 1 1.0 0.0 2.6593009962994074e-06 -2.4886200000739933e-07 2.672466997921674e-06 -2.8127099999109006e-07
shell4_X-4_Y-1_Z3_mono0_fix1//test20tig_AVDZ_AVQZfit/ DONE 26.17423462799638 1 1.0 0.0 2.6593009962994074e-06 -2.4886200000739933e-07 2.672466997921674e-06 -2.8127099999109006e-07
shell4_X4_Y1_Z-3_mono0_fix1//test20tig_AVDZ_AVQZfit/ DONE 26.17423462799638 1 1.0 0.0 2.6593009962994074e-06 -2.4886200000739933e-07 2.672466997921674e-06 -2.8127099999109006e-07
shell4_X-1_Y-4_Z3_mono0_fix1//test20tig_AVDZ_AVQZfit/ DONE 26.17423601957016 1 1.0 0.0 2.6957660068660516e-06 -2.5013000004570074e-07 2.7078750051146017e-06 -2.8397699997073644e-07
shell4_X1_Y4_Z-3_mono0_fix1//test20tig_AVDZ_AVQZfit/ DONE 26.17423601957016 1 1.0 0.0 2.6957660068660516e-06 -2.5013000004570074e-07 2.7078750051146017e-06 -2.8397699997073644e-07
shell4_X-3_Y1_Z4_mono0_fix1//test20tig_AVDZ_AVQZfit/ DONE 26.17423601957016 1 1.0 0.0 2.6957660068660516e-06 -2.5013000004570074e-07 2.7078750051146017e-06 -2.8397699997073644e-07
shell4_X-4_Y3_Z-1_mono0_fix1//test20tig_AVDZ_AVQZfit/ DONE 26.17423601957016 1 1.0 0.0 2.6957660068660516e-06 -2.5013000004570074e-07 2.7078750051146017e-06 -2.8397699997073644e-07
shell4_X4_Y-3_Z1_mono0_fix1//test20tig_AVDZ_AVQZfit/ DONE 26.17423601957016 1 1.0 0.0 2.6957660068660516e-06 -2.5013000004570074e-07 2.7078750051146017e-06 -2.8397699997073644e-07
shell4_X3_Y-1_Z-4_mono0_fix1//test20tig_AVDZ_AVQZfit/ DONE 26.17423601957016 1 1.0 0.0 2.6957660068660516e-06 -2.5013000004570074e-07 2.7078750051146017e-06 -2.8397699997073644e-07
shell4_X1_Y-4_Z-3_mono0_fix1//test20tig_AVDZ_AVQZfit/ DONE 26.178879352424392 1 1.0 0.0 -1.2833639928544471e-06 1.0437999992118918e-07 -1.2897319905391669e-06 1.2021500001013763e-07
shell4_X-4_Y-3_Z1_mono0_fix1//test20tig_AVDZ_AVQZfit/ DONE 26.178879352424392 1 1.0 0.0 -1.2833639928544471e-06 1.0437999992118918e-07 -1.2897319905391669e-06 1.2021500001013763e-07
shell4_X4_Y3_Z-1_mono0_fix1//test20tig_AVDZ_AVQZfit/ DONE 26.178879352424392 1 1.0 0.0 -1.2833639928544471e-06 1.0437999992118918e-07 -1.2897319905391669e-06 1.2021500001013763e-07
shell4_X-1_Y4_Z3_mono0_fix1//test20tig_AVDZ_AVQZfit/ DONE 26.178879352424392 1 1.0 0.0 -1.2833639928544471e-06 1.0437999992118918e-07 -1.2897319905391669e-06 1.2021500001013763e-07
shell4_X-3_Y1_Z-4_mono0_fix1//test20tig_AVDZ_AVQZfit/ DONE 26.178879352424392 1 1.0 0.0 -1.2833639928544471e-06 1.0437999992118918e-07 -1.2897319905391669e-06 1.2021500001013763e-07
shell4_X3_Y-1_Z4_mono0_fix1//test20tig_AVDZ_AVQZfit/ DONE 26.178879352424392 1 1.0 0.0 -1.2833639928544471e-06 1.0437999992118918e-07 -1.2897319905391669e-06 1.2021500001013763e-07
shell4_X4_Y-1_Z3_mono0_fix1//test20tig_AVDZ_AVQZfit/ DONE 26.17887989466999 1 1.0 0.0 -1.2690220074773606e-06 1.0364199998225132e-07 -1.2758170058191354e-06 1.1915500003345514e-07
shell4_X-1_Y3_Z4_mono0_fix1//test20tig_AVDZ_AVQZfit/ DONE 26.17887989466999 1 1.0 0.0 -1.2690220074773606e-06 1.0364199998225132e-07 -1.2758170058191354e-06 1.1915500003345514e-07
shell4_X1_Y-3_Z-4_mono0_fix1//test20tig_AVDZ_AVQZfit/ DONE 26.17887989466999 1 1.0 0.0 -1.2690220074773606e-06 1.0364199998225132e-07 -1.2758170058191354e-06 1.1915500003345514e-07
shell4_X3_Y4_Z-1_mono0_fix1//test20tig_AVDZ_AVQZfit/ DONE 26.17887989466999 1 1.0 0.0 -1.2690220074773606e-06 1.0364199998225132e-07 -1.2758170058191354e-06 1.1915500003345514e-07
shell4_X-4_Y1_Z-3_mono0_fix1//test20tig_AVDZ_AVQZfit/ DONE 26.17887989466999 1 1.0 0.0 -1.2690220074773606e-06 1.0364199998225132e-07 -1.2758170058191354e-06 1.1915500003345514e-07
shell4_X-3_Y-4_Z1_mono0_fix1//test20tig_AVDZ_AVQZfit/ DONE 26.17887989466999 1 1.0 0.0 -1.2690220074773606e-06 1.0364199998225132e-07 -1.2758170058191354e-06 1.1915500003345514e-07
shell4_X4_Y3_Z1_mono0_fix1//test20tig_AVDZ_AVQZfit/ DONE 26.18293529783507 1 1.0 0.0 -4.556267001021297e-06 4.219190000709361e-07 -4.579017002015462e-06 4.783470000102596e-07
shell4_X-1_Y-4_Z-3_mono0_fix1//test20tig_AVDZ_AVQZfit/ DONE 26.18293529783507 1 1.0 0.0 -4.556267001021297e-06 4.219190000709361e-07 -4.579017002015462e-06 4.783470000102596e-07
shell4_X3_Y1_Z4_mono0_fix1//test20tig_AVDZ_AVQZfit/ DONE 26.18293529783507 1 1.0 0.0 -4.556267001021297e-06 4.219190000709361e-07 -4.579017002015462e-06 4.783470000102596e-07
shell4_X-4_Y-3_Z-1_mono0_fix1//test20tig_AVDZ_AVQZfit/ DONE 26.18293529783507 1 1.0 0.0 -4.556267001021297e-06 4.219190000709361e-07 -4.579017002015462e-06 4.783470000102596e-07
shell4_X1_Y4_Z3_mono0_fix1//test20tig_AVDZ_AVQZfit/ DONE 26.18293529783507 1 1.0 0.0 -4.556267001021297e-06 4.219190000709361e-07 -4.579017002015462e-06 4.783470000102596e-07
shell4_X-3_Y-1_Z-4_mono0_fix1//test20tig_AVDZ_AVQZfit/ DONE 26.18293529783507 1 1.0 0.0 -4.556267001021297e-06 4.219190000709361e-07 -4.579017002015462e-06 4.783470000102596e-07
shell4_X3_Y4_Z1_mono0_fix1//test20tig_AVDZ_AVQZfit/ DONE 26.182935697297008 1 1.0 0.0 -4.5456850017444594e-06 4.2149399998026027e-07 -4.568754000899844e-06 4.775640000120873e-07
shell4_X-4_Y-1_Z-3_mono0_fix1//test20tig_AVDZ_AVQZfit/ DONE 26.182935697297008 1 1.0 0.0 -4.5456850017444594e-06 4.2149399998026027e-07 -4.568754000899844e-06 4.775640000120873e-07
shell4_X-1_Y-3_Z-4_mono0_fix1//test20tig_AVDZ_AVQZfit/ DONE 26.182935697297008 1 1.0 0.0 -4.5456850017444594e-06 4.2149399998026027e-07 -4.568754000899844e-06 4.775640000120873e-07
shell4_X-3_Y-4_Z-1_mono0_fix1//test20tig_AVDZ_AVQZfit/ DONE 26.182935697297008 1 1.0 0.0 -4.5456850017444594e-06 4.2149399998026027e-07 -4.568754000899844e-06 4.775640000120873e-07
shell4_X1_Y3_Z4_mono0_fix1//test20tig_AVDZ_AVQZfit/ DONE 26.182935697297008 1 1.0 0.0 -4.5456850017444594e-06 4.2149399998026027e-07 -4.568754000899844e-06 4.775640000120873e-07
shell4_X4_Y1_Z3_mono0_fix1//test20tig_AVDZ_AVQZfit/ DONE 26.182935697297008 1 1.0 0.0 -4.5456850017444594e-06 4.2149399998026027e-07 -4.568754000899844e-06 4.775640000120873e-07
shell4_X-2_Y4_Z-2_mono2_fix1//test20tig_AVDZ_AVQZfit/ DONE 26.363552672888655 1 1.0 0.0 -2.6838449969091016e-06 1.9481100005380725e-07 -2.7038940046963944e-06 2.2190599999194482e-07
shell4_X4_Y-2_Z-2_mono1_fix1//test20tig_AVDZ_AVQZfit/ DONE 26.363552672888655 1 1.0 0.0 -2.6838449969091016e-06 1.9481100005380725e-07 -2.7038940046963944e-06 2.2190599999194482e-07
shell4_X-2_Y-2_Z4_mono3_fix1//test20tig_AVDZ_AVQZfit/ DONE 26.363552672888655 1 1.0 0.0 -2.6838449969091016e-06 1.9481100005380725e-07 -2.7038940046963944e-06 2.2190599999194482e-07
shell4_X0_Y-3_Z4_mono3_fix1//test20tig_AVDZ_AVQZfit/ DONE 26.38123788555909 1 1.0 0.0 -3.2511449958860794e-06 2.575240000135537e-07 -3.271035005525391e-06 2.940589999833598e-07
shell4_X-3_Y4_Z0_mono2_fix1//test20tig_AVDZ_AVQZfit/ DONE 26.38123788555909 1 1.0 0.0 -3.2511449958860794e-06 2.575240000135537e-07 -3.271035005525391e-06 2.940589999833598e-07
shell4_X4_Y0_Z-3_mono1_fix1//test20tig_AVDZ_AVQZfit/ DONE 26.38123788555909 1 1.0 0.0 -3.2511449958860794e-06 2.575240000135537e-07 -3.271035005525391e-06 2.940589999833598e-07
shell4_X1_Y4_Z-2_mono2_fix1//test20tig_AVDZ_AVQZfit/ DONE 26.417921307049937 1 1.0 0.0 -3.4021739949707808e-06 3.0788300003914415e-07 -3.4194389968433825e-06 3.4992500000385895e-07
shell4_X4_Y-2_Z1_mono1_fix1//test20tig_AVDZ_AVQZfit/ DONE 26.417921307049937 1 1.0 0.0 -3.4021739949707808e-06 3.0788300003914415e-07 -3.4194389968433825e-06 3.4992500000385895e-07
shell4_X-2_Y1_Z4_mono3_fix1//test20tig_AVDZ_AVQZfit/ DONE 26.417921307049937 1 1.0 0.0 -3.4021739949707808e-06 3.0788300003914415e-07 -3.4194389968433825e-06 3.4992500000385895e-07
shell4_X2_Y-2_Z4_mono3_fix1//test20tig_AVDZ_AVQZfit/ DONE 26.436304727170494 1 1.0 0.0 -3.118381997069264e-06 2.9976900001171813e-07 -3.132510990155879e-06 3.399389999769742e-07
shell4_X4_Y2_Z-2_mono1_fix1//test20tig_AVDZ_AVQZfit/ DONE 26.436304727170494 1 1.0 0.0 -3.118381997069264e-06 2.9976900001171813e-07 -3.132510990155879e-06 3.399389999769742e-07
shell4_X-2_Y4_Z2_mono2_fix1//test20tig_AVDZ_AVQZfit/ DONE 26.436304727170494 1 1.0 0.0 -3.118381997069264e-06 2.9976900001171813e-07 -3.132510990155879e-06 3.399389999769742e-07
shell4_X-2_Y-2_Z4_mono1_fix1//test20tig_AVDZ_AVQZfit/ DONE 26.471906384489657 1 1.0 0.0 -2.004439991765139e-07 3.568299994372026e-08 -2.0052900140399288e-07 3.978299997764445e-08
shell4_X1_Y-2_Z4_mono1_fix1//test20tig_AVDZ_AVQZfit/ DONE 26.471906384489657 1 1.0 0.0 -2.004439991765139e-07 3.568299994372026e-08 -2.0052900140399288e-07 3.978299997764445e-08
shell4_X-2_Y4_Z-2_mono3_fix1//test20tig_AVDZ_AVQZfit/ DONE 26.471906384489657 1 1.0 0.0 -2.004439991765139e-07 3.568299994372026e-08 -2.0052900140399288e-07 3.978299997764445e-08
shell4_X4_Y1_Z-2_mono2_fix1//test20tig_AVDZ_AVQZfit/ DONE 26.471906384489657 1 1.0 0.0 -2.004439991765139e-07 3.568299994372026e-08 -2.0052900140399288e-07 3.978299997764445e-08
shell4_X-2_Y4_Z1_mono3_fix1//test20tig_AVDZ_AVQZfit/ DONE 26.471906384489657 1 1.0 0.0 -2.004439991765139e-07 3.568299994372026e-08 -2.0052900140399288e-07 3.978299997764445e-08
shell4_X4_Y-2_Z-2_mono2_fix1//test20tig_AVDZ_AVQZfit/ DONE 26.471906384489657 1 1.0 0.0 -2.004439991765139e-07 3.568299994372026e-08 -2.0052900140399288e-07 3.978299997764445e-08
shell4_X0_Y2_Z4_mono3_fix1//test20tig_AVDZ_AVQZfit/ DONE 26.474599384671542 1 1.0 0.0 -2.035702991065591e-06 2.2130299998091019e-07 -2.0415889991909353e-06 2.5096000000335295e-07
shell4_X4_Y0_Z2_mono1_fix1//test20tig_AVDZ_AVQZfit/ DONE 26.474599384671542 1 1.0 0.0 -2.035702991065591e-06 2.2130299998091019e-07 -2.0415889991909353e-06 2.5096000000335295e-07
shell4_X2_Y4_Z0_mono2_fix1//test20tig_AVDZ_AVQZfit/ DONE 26.474599384671542 1 1.0 0.0 -2.035702991065591e-06 2.2130299998091019e-07 -2.0415889991909353e-06 2.5096000000335295e-07
shell4_X2_Y1_Z4_mono3_fix1//test20tig_AVDZ_AVQZfit/ DONE 26.49389869493212 1 1.0 0.0 -1.2426960012135169e-06 1.5136599995635436e-07 -1.2455249986942363e-06 1.7071699998094658e-07
shell4_X4_Y2_Z1_mono1_fix1//test20tig_AVDZ_AVQZfit/ DONE 26.49389869493212 1 1.0 0.0 -1.2426960012135169e-06 1.5136599995635436e-07 -1.2455249986942363e-06 1.7071699998094658e-07
shell4_X1_Y4_Z2_mono2_fix1//test20tig_AVDZ_AVQZfit/ DONE 26.49389869493212 1 1.0 0.0 -1.2426960012135169e-06 1.5136599995635436e-07 -1.2455249986942363e-06 1.7071699998094658e-07
shell4_X0_Y4_Z-3_mono3_fix1//test20tig_AVDZ_AVQZfit/ DONE 26.511745423979164 1 1.0 0.0 8.730060088169012e-07 -7.035500004803907e-08 8.786830107965216e-07 -7.941499999275514e-08
shell4_X2_Y0_Z4_mono1_fix1//test20tig_AVDZ_AVQZfit/ DONE 26.511745423979164 1 1.0 0.0 8.730060088169012e-07 -7.035500004803907e-08 8.786830107965216e-07 -7.941499999275514e-08
shell4_X4_Y2_Z0_mono2_fix1//test20tig_AVDZ_AVQZfit/ DONE 26.511745423979164 1 1.0 0.0 8.730060088169012e-07 -7.035500004803907e-08 8.786830107965216e-07 -7.941499999275514e-08
shell4_X4_Y-3_Z0_mono2_fix1//test20tig_AVDZ_AVQZfit/ DONE 26.511745423979164 1 1.0 0.0 8.730060088169012e-07 -7.035500004803907e-08 8.786830107965216e-07 -7.941499999275514e-08
shell4_X0_Y4_Z2_mono3_fix1//test20tig_AVDZ_AVQZfit/ DONE 26.511745423979164 1 1.0 0.0 8.730060088169012e-07 -7.035500004803907e-08 8.786830107965216e-07 -7.941499999275514e-08
shell4_X-3_Y0_Z4_mono1_fix1//test20tig_AVDZ_AVQZfit/ DONE 26.511745423979164 1 1.0 0.0 8.730060088169012e-07 -7.035500004803907e-08 8.786830107965216e-07 -7.941499999275514e-08
shell4_X2_Y4_Z-2_mono3_fix1//test20tig_AVDZ_AVQZfit/ DONE 26.55136089274982 1 1.0 0.0 3.072292997785553e-06 -3.1937000005699545e-07 3.0842110021467306e-06 -3.607140000028153e-07
shell4_X4_Y-2_Z2_mono2_fix1//test20tig_AVDZ_AVQZfit/ DONE 26.55136089274982 1 1.0 0.0 3.072292997785553e-06 -3.1937000005699545e-07 3.0842110021467306e-06 -3.607140000028153e-07
shell4_X1_Y2_Z4_mono1_fix1//test20tig_AVDZ_AVQZfit/ DONE 26.55136089274982 1 1.0 0.0 3.072292997785553e-06 -3.1937000005699545e-07 3.0842110021467306e-06 -3.607140000028153e-07
shell4_X-2_Y2_Z4_mono1_fix1//test20tig_AVDZ_AVQZfit/ DONE 26.55136089274982 1 1.0 0.0 3.072292997785553e-06 -3.1937000005699545e-07 3.0842110021467306e-06 -3.607140000028153e-07
shell4_X2_Y4_Z1_mono3_fix1//test20tig_AVDZ_AVQZfit/ DONE 26.55136089274982 1 1.0 0.0 3.072292997785553e-06 -3.1937000005699545e-07 3.0842110021467306e-06 -3.607140000028153e-07
shell4_X4_Y1_Z2_mono2_fix1//test20tig_AVDZ_AVQZfit/ DONE 26.55136089274982 1 1.0 0.0 3.072292997785553e-06 -3.1937000005699545e-07 3.0842110021467306e-06 -3.607140000028153e-07
shell4_X-3_Y-4_Z2_mono3_fix1//test20tig_AVDZ_AVQZfit/ DONE 26.8050209230475 1 1.0 0.0 3.088013002638945e-06 -2.7463200003019494e-07 3.104030007250458e-06 -3.113380000197008e-07
shell4_X-3_Y-4_Z-3_mono3_fix1//test20tig_AVDZ_AVQZfit/ DONE 26.8050209230475 1 1.0 0.0 3.088013002638945e-06 -2.7463200003019494e-07 3.104030007250458e-06 -3.113380000197008e-07
shell4_X-4_Y-3_Z-3_mono2_fix1//test20tig_AVDZ_AVQZfit/ DONE 26.8050209230475 1 1.0 0.0 3.088013002638945e-06 -2.7463200003019494e-07 3.104030007250458e-06 -3.113380000197008e-07
shell4_X-4_Y2_Z-3_mono2_fix1//test20tig_AVDZ_AVQZfit/ DONE 26.8050209230475 1 1.0 0.0 3.088013002638945e-06 -2.7463200003019494e-07 3.104030007250458e-06 -3.113380000197008e-07
shell4_X2_Y-3_Z-4_mono1_fix1//test20tig_AVDZ_AVQZfit/ DONE 26.8050209230475 1 1.0 0.0 3.088013002638945e-06 -2.7463200003019494e-07 3.104030007250458e-06 -3.113380000197008e-07
shell4_X-3_Y-3_Z-4_mono1_fix1//test20tig_AVDZ_AVQZfit/ DONE 26.8050209230475 1 1.0 0.0 3.088013002638945e-06 -2.7463200003019494e-07 3.104030007250458e-06 -3.113380000197008e-07
shell4_X-3_Y-3_Z-4_mono3_fix1//test20tig_AVDZ_AVQZfit/ DONE 26.822611955015823 1 1.0 0.0 5.938710003761116e-07 -8.448500005142634e-08 5.923119985595804e-07 -9.546299997720276e-08
shell4_X-3_Y-4_Z-3_mono2_fix1//test20tig_AVDZ_AVQZfit/ DONE 26.822611955015823 1 1.0 0.0 5.938710003761116e-07 -8.448500005142634e-08 5.923119985595804e-07 -9.546299997720276e-08
shell4_X-4_Y-3_Z-3_mono1_fix1//test20tig_AVDZ_AVQZfit/ DONE 26.822611955015823 1 1.0 0.0 5.938710003761116e-07 -8.448500005142634e-08 5.923119985595804e-07 -9.546299997720276e-08
shell4_X-1_Y-3_Z4_mono3_fix1//test20tig_AVDZ_AVQZfit/ DONE 26.857871858289464 1 1.0 0.0 -2.50102100096683e-06 1.8164900000838813e-07 -2.5186110050867683e-06 2.0760299995759013e-07
shell4_X4_Y-1_Z-3_mono1_fix1//test20tig_AVDZ_AVQZfit/ DONE 26.857871858289464 1 1.0 0.0 -2.50102100096683e-06 1.8164900000838813e-07 -2.5186110050867683e-06 2.0760299995759013e-07
shell4_X-3_Y4_Z-1_mono2_fix1//test20tig_AVDZ_AVQZfit/ DONE 26.857871858289464 1 1.0 0.0 -2.50102100096683e-06 1.8164900000838813e-07 -2.5186110050867683e-06 2.0760299995759013e-07
shell4_X4_Y1_Z-3_mono1_fix1//test20tig_AVDZ_AVQZfit/ DONE 26.893115439799217 1 1.0 0.0 -3.1902689983098753e-06 2.717869999058209e-07 -3.207787990788802e-06 3.096729999929604e-07
shell4_X1_Y-3_Z4_mono3_fix1//test20tig_AVDZ_AVQZfit/ DONE 26.893115439799217 1 1.0 0.0 -3.1902689983098753e-06 2.717869999058209e-07 -3.207787990788802e-06 3.096729999929604e-07
shell4_X-3_Y4_Z1_mono2_fix1//test20tig_AVDZ_AVQZfit/ DONE 26.893115439799217 1 1.0 0.0 -3.1902689983098753e-06 2.717869999058209e-07 -3.207787990788802e-06 3.096729999929604e-07
shell4_X3_Y-4_Z2_mono3_fix1//test20tig_AVDZ_AVQZfit/ DONE 26.909450575599376 1 1.0 0.0 -1.649169995232569e-06 1.4589899999251088e-07 -1.6580309889491218e-06 1.6602600000359402e-07
shell4_X-4_Y2_Z3_mono2_fix1//test20tig_AVDZ_AVQZfit/ DONE 26.909450575599376 1 1.0 0.0 -1.649169995232569e-06 1.4589899999251088e-07 -1.6580309889491218e-06 1.6602600000359402e-07
shell4_X2_Y3_Z-4_mono1_fix1//test20tig_AVDZ_AVQZfit/ DONE 26.909450575599376 1 1.0 0.0 -1.649169995232569e-06 1.4589899999251088e-07 -1.6580309889491218e-06 1.6602600000359402e-07
shell4_X-3_Y3_Z-4_mono1_fix1//test20tig_AVDZ_AVQZfit/ DONE 26.909450575599376 1 1.0 0.0 -1.649169995232569e-06 1.4589899999251088e-07 -1.6580309889491218e-06 1.6602600000359402e-07
shell4_X3_Y-4_Z-3_mono3_fix1//test20tig_AVDZ_AVQZfit/ DONE 26.909450575599376 1 1.0 0.0 -1.649169995232569e-06 1.4589899999251088e-07 -1.6580309889491218e-06 1.6602600000359402e-07
shell4_X-4_Y-3_Z3_mono2_fix1//test20tig_AVDZ_AVQZfit/ DONE 26.909450575599376 1 1.0 0.0 -1.649169995232569e-06 1.4589899999251088e-07 -1.6580309889491218e-06 1.6602600000359402e-07
shell4_X2_Y-4_Z-3_mono2_fix1//test20tig_AVDZ_AVQZfit/ DONE 26.910249832153376 1 1.0 0.0 -2.2981240022090788e-06 2.0492799995830424e-07 -2.3097769954461e-06 2.333230000040043e-07
shell4_X-3_Y2_Z-4_mono3_fix1//test20tig_AVDZ_AVQZfit/ DONE 26.910249832153376 1 1.0 0.0 -2.2981240022090788e-06 2.0492799995830424e-07 -2.3097769954461e-06 2.333230000040043e-07
shell4_X-4_Y-3_Z2_mono1_fix1//test20tig_AVDZ_AVQZfit/ DONE 26.910249832153376 1 1.0 0.0 -2.2981240022090788e-06 2.0492799995830424e-07 -2.3097769954461e-06 2.333230000040043e-07
shell4_X3_Y-3_Z-4_mono3_fix1//test20tig_AVDZ_AVQZfit/ DONE 26.928448907277726 1 1.0 0.0 -2.081936003150986e-06 1.9887900004622594e-07 -2.091440997276095e-06 2.257890000245677e-07
shell4_X-4_Y3_Z-3_mono1_fix1//test20tig_AVDZ_AVQZfit/ DONE 26.928448907277726 1 1.0 0.0 -2.081936003150986e-06 1.9887900004622594e-07 -2.091440997276095e-06 2.257890000245677e-07
shell4_X-3_Y-4_Z3_mono2_fix1//test20tig_AVDZ_AVQZfit/ DONE 26.928448907277726 1 1.0 0.0 -2.081936003150986e-06 1.9887900004622594e-07 -2.091440997276095e-06 2.257890000245677e-07
shell4_X-1_Y2_Z4_mono3_fix1//test20tig_AVDZ_AVQZfit/ DONE 26.948223170089534 1 1.0 0.0 -2.4746289994936888e-06 2.503810000442641e-07 -2.4838520005232567e-06 2.841420000121442e-07
shell4_X2_Y4_Z-1_mono2_fix1//test20tig_AVDZ_AVQZfit/ DONE 26.948223170089534 1 1.0 0.0 -2.4746289994936888e-06 2.503810000442641e-07 -2.4838520005232567e-06 2.841420000121442e-07
shell4_X4_Y-1_Z2_mono1_fix1//test20tig_AVDZ_AVQZfit/ DONE 26.948223170089534 1 1.0 0.0 -2.4746289994936888e-06 2.503810000442641e-07 -2.4838520005232567e-06 2.841420000121442e-07
shell4_X-1_Y4_Z2_mono3_fix1//test20tig_AVDZ_AVQZfit/ DONE 26.984134480192186 1 1.0 0.0 3.5022004851725796e-08 1.425199996907267e-08 3.701799755617685e-08 1.5983999984703345e-08
shell4_X-1_Y4_Z-3_mono3_fix1//test20tig_AVDZ_AVQZfit/ DONE 26.984134480192186 1 1.0 0.0 3.5022004851725796e-08 1.425199996907267e-08 3.701799755617685e-08 1.5983999984703345e-08
shell4_X2_Y-1_Z4_mono1_fix1//test20tig_AVDZ_AVQZfit/ DONE 26.984134480192186 1 1.0 0.0 3.5022004851725796e-08 1.425199996907267e-08 3.701799755617685e-08 1.5983999984703345e-08
shell4_X-3_Y-1_Z4_mono1_fix1//test20tig_AVDZ_AVQZfit/ DONE 26.984134480192186 1 1.0 0.0 3.5022004851725796e-08 1.425199996907267e-08 3.701799755617685e-08 1.5983999984703345e-08
shell4_X4_Y-3_Z-1_mono2_fix1//test20tig_AVDZ_AVQZfit/ DONE 26.984134480192186 1 1.0 0.0 3.5022004851725796e-08 1.425199996907267e-08 3.701799755617685e-08 1.5983999984703345e-08
shell4_X4_Y2_Z-1_mono2_fix1//test20tig_AVDZ_AVQZfit/ DONE 26.984134480192186 1 1.0 0.0 3.5022004851725796e-08 1.425199996907267e-08 3.701799755617685e-08 1.5983999984703345e-08
shell4_X1_Y2_Z4_mono3_fix1//test20tig_AVDZ_AVQZfit/ DONE 26.98600910066596 1 1.0 0.0 -1.1894760021391448e-06 1.4251799995701475e-07 -1.1917079945078513e-06 1.6129300001166413e-07
shell4_X2_Y4_Z1_mono2_fix1//test20tig_AVDZ_AVQZfit/ DONE 26.98600910066596 1 1.0 0.0 -1.1894760021391448e-06 1.4251799995701475e-07 -1.1917079945078513e-06 1.6129300001166413e-07
shell4_X4_Y1_Z2_mono1_fix1//test20tig_AVDZ_AVQZfit/ DONE 26.98600910066596 1 1.0 0.0 -1.1894760021391448e-06 1.4251799995701475e-07 -1.1917079945078513e-06 1.6129300001166413e-07
shell4_X2_Y1_Z4_mono1_fix1//test20tig_AVDZ_AVQZfit/ DONE 27.02302661921426 1 1.0 0.0 1.6022709985463734e-06 -1.5139100001393402e-07 1.6102000017781393e-06 -1.7104500002473877e-07
shell4_X1_Y4_Z-3_mono3_fix1//test20tig_AVDZ_AVQZfit/ DONE 27.02302661921426 1 1.0 0.0 1.6022709985463734e-06 -1.5139100001393402e-07 1.6102000017781393e-06 -1.7104500002473877e-07
shell4_X-3_Y1_Z4_mono1_fix1//test20tig_AVDZ_AVQZfit/ DONE 27.02302661921426 1 1.0 0.0 1.6022709985463734e-06 -1.5139100001393402e-07 1.6102000017781393e-06 -1.7104500002473877e-07
shell4_X4_Y-3_Z1_mono2_fix1//test20tig_AVDZ_AVQZfit/ DONE 27.02302661921426 1 1.0 0.0 1.6022709985463734e-06 -1.5139100001393402e-07 1.6102000017781393e-06 -1.7104500002473877e-07
shell4_X1_Y4_Z2_mono3_fix1//test20tig_AVDZ_AVQZfit/ DONE 27.02302661921426 1 1.0 0.0 1.6022709985463734e-06 -1.5139100001393402e-07 1.6102000017781393e-06 -1.7104500002473877e-07
shell4_X4_Y2_Z1_mono2_fix1//test20tig_AVDZ_AVQZfit/ DONE 27.02302661921426 1 1.0 0.0 1.6022709985463734e-06 -1.5139100001393402e-07 1.6102000017781393e-06 -1.7104500002473877e-07
shell4_X3_Y2_Z-4_mono3_fix1//test20tig_AVDZ_AVQZfit/ DONE 27.023712736669506 1 1.0 0.0 1.142845000856596e-06 -1.0060400001954406e-07 1.1485740003536193e-06 -1.1422800000326916e-07
shell4_X2_Y-4_Z3_mono2_fix1//test20tig_AVDZ_AVQZfit/ DONE 27.023712736669506 1 1.0 0.0 1.142845000856596e-06 -1.0060400001954406e-07 1.1485740003536193e-06 -1.1422800000326916e-07
shell4_X-4_Y3_Z2_mono1_fix1//test20tig_AVDZ_AVQZfit/ DONE 27.023712736669506 1 1.0 0.0 1.142845000856596e-06 -1.0060400001954406e-07 1.1485740003536193e-06 -1.1422800000326916e-07
shell4_X0_Y-4_Z-4_mono1_fix1//test20tig_AVDZ_AVQZfit/ DONE 27.274371409028447 1 1.0 0.0 5.5173030020228e-06 -4.4414799998948595e-07 5.551964001426768e-06 -5.03976999993716e-07
shell4_X-4_Y0_Z-4_mono2_fix1//test20tig_AVDZ_AVQZfit/ DONE 27.274371409028447 1 1.0 0.0 5.5173030020228e-06 -4.4414799998948595e-07 5.551964001426768e-06 -5.03976999993716e-07
shell4_X-1_Y-4_Z-4_mono1_fix1//test20tig_AVDZ_AVQZfit/ DONE 27.274371409028447 1 1.0 0.0 5.5173030020228e-06 -4.4414799998948595e-07 5.551964001426768e-06 -5.03976999993716e-07
shell4_X-4_Y-1_Z-4_mono2_fix1//test20tig_AVDZ_AVQZfit/ DONE 27.274371409028447 1 1.0 0.0 5.5173030020228e-06 -4.4414799998948595e-07 5.551964001426768e-06 -5.03976999993716e-07
shell4_X-4_Y-4_Z0_mono3_fix1//test20tig_AVDZ_AVQZfit/ DONE 27.274371409028447 1 1.0 0.0 5.5173030020228e-06 -4.4414799998948595e-07 5.551964001426768e-06 -5.03976999993716e-07
shell4_X-4_Y-4_Z-1_mono3_fix1//test20tig_AVDZ_AVQZfit/ DONE 27.274371409028447 1 1.0 0.0 5.5173030020228e-06 -4.4414799998948595e-07 5.551964001426768e-06 -5.03976999993716e-07
shell4_X-3_Y-3_Z-4_mono2_fix1//test20tig_AVDZ_AVQZfit/ DONE 27.29142623138141 1 1.0 0.0 2.7652469967165416e-06 -2.474129999763264e-07 2.7787260066247654e-06 -2.808550000343857e-07
shell4_X-3_Y-4_Z-3_mono1_fix1//test20tig_AVDZ_AVQZfit/ DONE 27.29142623138141 1 1.0 0.0 2.7652469967165416e-06 -2.474129999763264e-07 2.7787260066247654e-06 -2.808550000343857e-07
shell4_X-4_Y-3_Z2_mono3_fix1//test20tig_AVDZ_AVQZfit/ DONE 27.29142623138141 1 1.0 0.0 2.7652469967165416e-06 -2.474129999763264e-07 2.7787260066247654e-06 -2.808550000343857e-07
shell4_X2_Y-4_Z-3_mono1_fix1//test20tig_AVDZ_AVQZfit/ DONE 27.29142623138141 1 1.0 0.0 2.7652469967165416e-06 -2.474129999763264e-07 2.7787260066247654e-06 -2.808550000343857e-07
shell4_X-3_Y2_Z-4_mono2_fix1//test20tig_AVDZ_AVQZfit/ DONE 27.29142623138141 1 1.0 0.0 2.7652469967165416e-06 -2.474129999763264e-07 2.7787260066247654e-06 -2.808550000343857e-07
shell4_X-4_Y-3_Z-3_mono3_fix1//test20tig_AVDZ_AVQZfit/ DONE 27.29142623138141 1 1.0 0.0 2.7652469967165416e-06 -2.474129999763264e-07 2.7787260066247654e-06 -2.808550000343857e-07
shell4_X-4_Y-2_Z-4_mono1_fix1//test20tig_AVDZ_AVQZfit/ DONE 27.308605807597395 1 1.0 0.0 4.7038300721169435e-07 -7.294900006282745e-08 4.6926300711902513e-07 -8.169000001445603e-08
shell4_X-2_Y-4_Z3_mono3_fix1//test20tig_AVDZ_AVQZfit/ DONE 27.308605807597395 1 1.0 0.0 4.7038300721169435e-07 -7.294900006282745e-08 4.6926300711902513e-07 -8.169000001445603e-08
shell4_X-2_Y-4_Z-4_mono3_fix1//test20tig_AVDZ_AVQZfit/ DONE 27.308605807597395 1 1.0 0.0 4.7038300721169435e-07 -7.294900006282745e-08 4.6926300711902513e-07 -8.169000001445603e-08
shell4_X3_Y-2_Z-4_mono1_fix1//test20tig_AVDZ_AVQZfit/ DONE 27.308605807597395 1 1.0 0.0 4.7038300721169435e-07 -7.294900006282745e-08 4.6926300711902513e-07 -8.169000001445603e-08
shell4_X-4_Y3_Z-2_mono2_fix1//test20tig_AVDZ_AVQZfit/ DONE 27.308605807597395 1 1.0 0.0 4.7038300721169435e-07 -7.294900006282745e-08 4.6926300711902513e-07 -8.169000001445603e-08
shell4_X-4_Y-4_Z-2_mono2_fix1//test20tig_AVDZ_AVQZfit/ DONE 27.308605807597395 1 1.0 0.0 4.7038300721169435e-07 -7.294900006282745e-08 4.6926300711902513e-07 -8.169000001445603e-08
shell4_X-1_Y-4_Z-4_mono2_fix1//test20tig_AVDZ_AVQZfit/ DONE 27.325483735828065 1 1.0 0.0 -6.010350048768487e-07 2.0320000071460953e-08 -6.093309963262072e-07 2.3092000034363735e-08
shell4_X-4_Y-1_Z3_mono3_fix1//test20tig_AVDZ_AVQZfit/ DONE 27.325483735828065 1 1.0 0.0 -6.010350048768487e-07 2.0320000071460953e-08 -6.093309963262072e-07 2.3092000034363735e-08
shell4_X-1_Y3_Z-4_mono2_fix1//test20tig_AVDZ_AVQZfit/ DONE 27.325483735828065 1 1.0 0.0 -6.010350048768487e-07 2.0320000071460953e-08 -6.093309963262072e-07 2.3092000034363735e-08
shell4_X-4_Y-1_Z-4_mono3_fix1//test20tig_AVDZ_AVQZfit/ DONE 27.325483735828065 1 1.0 0.0 -6.010350048768487e-07 2.0320000071460953e-08 -6.093309963262072e-07 2.3092000034363735e-08
shell4_X-4_Y-4_Z-1_mono1_fix1//test20tig_AVDZ_AVQZfit/ DONE 27.325483735828065 1 1.0 0.0 -6.010350048768487e-07 2.0320000071460953e-08 -6.093309963262072e-07 2.3092000034363735e-08
shell4_X3_Y-4_Z-1_mono1_fix1//test20tig_AVDZ_AVQZfit/ DONE 27.325483735828065 1 1.0 0.0 -6.010350048768487e-07 2.0320000071460953e-08 -6.093309963262072e-07 2.3092000034363735e-08
shell4_X3_Y-4_Z0_mono1_fix1//test20tig_AVDZ_AVQZfit/ DONE 27.34246920408416 1 1.0 0.0 -1.389676008045626e-06 9.308399995244798e-08 -1.4012369931037938e-06 1.0619399998246237e-07
shell4_X-4_Y-4_Z0_mono1_fix1//test20tig_AVDZ_AVQZfit/ DONE 27.34246920408416 1 1.0 0.0 -1.389676008045626e-06 9.308399995244798e-08 -1.4012369931037938e-06 1.0619399998246237e-07
shell4_X0_Y3_Z-4_mono2_fix1//test20tig_AVDZ_AVQZfit/ DONE 27.34246920408416 1 1.0 0.0 -1.389676008045626e-06 9.308399995244798e-08 -1.4012369931037938e-06 1.0619399998246237e-07
shell4_X0_Y-4_Z-4_mono2_fix1//test20tig_AVDZ_AVQZfit/ DONE 27.34246920408416 1 1.0 0.0 -1.389676008045626e-06 9.308399995244798e-08 -1.4012369931037938e-06 1.0619399998246237e-07
shell4_X-4_Y0_Z3_mono3_fix1//test20tig_AVDZ_AVQZfit/ DONE 27.34246920408416 1 1.0 0.0 -1.389676008045626e-06 9.308399995244798e-08 -1.4012369931037938e-06 1.0619399998246237e-07
shell4_X-4_Y0_Z-4_mono3_fix1//test20tig_AVDZ_AVQZfit/ DONE 27.34246920408416 1 1.0 0.0 -1.389676008045626e-06 9.308399995244798e-08 -1.4012369931037938e-06 1.0619399998246237e-07
shell4_X-3_Y-4_Z2_mono1_fix1//test20tig_AVDZ_AVQZfit/ DONE 27.376310988318913 1 1.0 0.0 -1.5122800007816295e-06 1.231299999182589e-07 -1.5212879986847838e-06 1.4056000002815594e-07
shell4_X-4_Y2_Z-3_mono3_fix1//test20tig_AVDZ_AVQZfit/ DONE 27.376310988318913 1 1.0 0.0 -1.5122800007816295e-06 1.231299999182589e-07 -1.5212879986847838e-06 1.4056000002815594e-07
shell4_X2_Y2_Z-4_mono2_fix1//test20tig_AVDZ_AVQZfit/ DONE 27.376310988318913 1 1.0 0.0 -1.5122800007816295e-06 1.231299999182589e-07 -1.5212879986847838e-06 1.4056000002815594e-07
shell4_X2_Y-4_Z2_mono1_fix1//test20tig_AVDZ_AVQZfit/ DONE 27.376310988318913 1 1.0 0.0 -1.5122800007816295e-06 1.231299999182589e-07 -1.5212879986847838e-06 1.4056000002815594e-07
shell4_X-4_Y2_Z2_mono3_fix1//test20tig_AVDZ_AVQZfit/ DONE 27.376310988318913 1 1.0 0.0 -1.5122800007816295e-06 1.231299999182589e-07 -1.5212879986847838e-06 1.4056000002815594e-07
shell4_X2_Y-3_Z-4_mono2_fix1//test20tig_AVDZ_AVQZfit/ DONE 27.376310988318913 1 1.0 0.0 -1.5122800007816295e-06 1.231299999182589e-07 -1.5212879986847838e-06 1.4056000002815594e-07
shell4_X2_Y-4_Z3_mono3_fix1//test20tig_AVDZ_AVQZfit/ DONE 27.377067213748607 1 1.0 0.0 -2.1280839916926197e-06 1.778529999940659e-07 -2.140271000428129e-06 2.0292399999233268e-07
shell4_X2_Y-4_Z-4_mono3_fix1//test20tig_AVDZ_AVQZfit/ DONE 27.377067213748607 1 1.0 0.0 -2.1280839916926197e-06 1.778529999940659e-07 -2.140271000428129e-06 2.0292399999233268e-07
shell4_X3_Y2_Z-4_mono1_fix1//test20tig_AVDZ_AVQZfit/ DONE 27.377067213748607 1 1.0 0.0 -2.1280839916926197e-06 1.778529999940659e-07 -2.140271000428129e-06 2.0292399999233268e-07
shell4_X-4_Y3_Z2_mono2_fix1//test20tig_AVDZ_AVQZfit/ DONE 27.377067213748607 1 1.0 0.0 -2.1280839916926197e-06 1.778529999940659e-07 -2.140271000428129e-06 2.0292399999233268e-07
shell4_X-4_Y-4_Z2_mono2_fix1//test20tig_AVDZ_AVQZfit/ DONE 27.377067213748607 1 1.0 0.0 -2.1280839916926197e-06 1.778529999940659e-07 -2.140271000428129e-06 2.0292399999233268e-07
shell4_X-4_Y2_Z-4_mono1_fix1//test20tig_AVDZ_AVQZfit/ DONE 27.377067213748607 1 1.0 0.0 -2.1280839916926197e-06 1.778529999940659e-07 -2.140271000428129e-06 2.0292399999233268e-07
shell4_X0_Y-4_Z3_mono1_fix1//test20tig_AVDZ_AVQZfit/ DONE 27.393150521324944 1 1.0 0.0 -9.449480060652604e-07 8.272600005021502e-08 -9.504719997721622e-07 9.420200000609391e-08
shell4_X3_Y-1_Z-4_mono2_fix1//test20tig_AVDZ_AVQZfit/ DONE 27.393150521324944 1 1.0 0.0 -9.449480060652604e-07 8.272600005021502e-08 -9.504719997721622e-07 9.420200000609391e-08
shell4_X-4_Y3_Z0_mono3_fix1//test20tig_AVDZ_AVQZfit/ DONE 27.393150521324944 1 1.0 0.0 -9.449480060652604e-07 8.272600005021502e-08 -9.504719997721622e-07 9.420200000609391e-08
shell4_X-4_Y3_Z-1_mono3_fix1//test20tig_AVDZ_AVQZfit/ DONE 27.393150521324944 1 1.0 0.0 -9.449480060652604e-07 8.272600005021502e-08 -9.504719997721622e-07 9.420200000609391e-08
shell4_X-1_Y-4_Z3_mono1_fix1//test20tig_AVDZ_AVQZfit/ DONE 27.393150521324944 1 1.0 0.0 -9.449480060652604e-07 8.272600005021502e-08 -9.504719997721622e-07 9.420200000609391e-08
shell4_X3_Y0_Z-4_mono2_fix1//test20tig_AVDZ_AVQZfit/ DONE 27.393150521324944 1 1.0 0.0 -9.449480060652604e-07 8.272600005021502e-08 -9.504719997721622e-07 9.420200000609391e-08
shell4_X0_Y4_Z-4_mono1_fix1//test20tig_AVDZ_AVQZfit/ DONE 27.411488956963947 1 1.0 0.0 -8.23816002082367e-07 7.883399999464302e-08 -8.275630065668338e-07 8.96749999812485e-08
shell4_X-4_Y0_Z4_mono2_fix1//test20tig_AVDZ_AVQZfit/ DONE 27.411488956963947 1 1.0 0.0 -8.23816002082367e-07 7.883399999464302e-08 -8.275630065668338e-07 8.96749999812485e-08
shell4_X4_Y-4_Z-1_mono3_fix1//test20tig_AVDZ_AVQZfit/ DONE 27.411488956963947 1 1.0 0.0 -8.23816002082367e-07 7.883399999464302e-08 -8.275630065668338e-07 8.96749999812485e-08
shell4_X-1_Y4_Z-4_mono1_fix1//test20tig_AVDZ_AVQZfit/ DONE 27.411488956963947 1 1.0 0.0 -8.23816002082367e-07 7.883399999464302e-08 -8.275630065668338e-07 8.96749999812485e-08
shell4_X-4_Y-1_Z4_mono2_fix1//test20tig_AVDZ_AVQZfit/ DONE 27.411488956963947 1 1.0 0.0 -8.23816002082367e-07 7.883399999464302e-08 -8.275630065668338e-07 8.96749999812485e-08
shell4_X4_Y-4_Z0_mono3_fix1//test20tig_AVDZ_AVQZfit/ DONE 27.411488956963947 1 1.0 0.0 -8.23816002082367e-07 7.883399999464302e-08 -8.275630065668338e-07 8.96749999812485e-08
shell4_X-3_Y-3_Z4_mono2_fix1//test20tig_AVDZ_AVQZfit/ DONE 27.430327309147035 1 1.0 0.0 -1.0572539963504823e-06 1.0971599995190928e-07 -1.0611029992446674e-06 1.2445700001140203e-07
shell4_X2_Y4_Z-3_mono1_fix1//test20tig_AVDZ_AVQZfit/ DONE 27.430327309147035 1 1.0 0.0 -1.0572539963504823e-06 1.0971599995190928e-07 -1.0611029992446674e-06 1.2445700001140203e-07
shell4_X-3_Y2_Z4_mono2_fix1//test20tig_AVDZ_AVQZfit/ DONE 27.430327309147035 1 1.0 0.0 -1.0572539963504823e-06 1.0971599995190928e-07 -1.0611029992446674e-06 1.2445700001140203e-07
shell4_X-3_Y4_Z-3_mono1_fix1//test20tig_AVDZ_AVQZfit/ DONE 27.430327309147035 1 1.0 0.0 -1.0572539963504823e-06 1.0971599995190928e-07 -1.0611029992446674e-06 1.2445700001140203e-07
shell4_X4_Y-3_Z-3_mono3_fix1//test20tig_AVDZ_AVQZfit/ DONE 27.430327309147035 1 1.0 0.0 -1.0572539963504823e-06 1.0971599995190928e-07 -1.0611029992446674e-06 1.2445700001140203e-07
shell4_X4_Y-3_Z2_mono3_fix1//test20tig_AVDZ_AVQZfit/ DONE 27.430327309147035 1 1.0 0.0 -1.0572539963504823e-06 1.0971599995190928e-07 -1.0611029992446674e-06 1.2445700001140203e-07
shell4_X-2_Y3_Z-4_mono3_fix1//test20tig_AVDZ_AVQZfit/ DONE 27.431087260034616 1 1.0 0.0 -1.5963260011631064e-06 1.6184599993529503e-07 -1.6021430013779536e-06 1.8397299997308103e-07
shell4_X3_Y-4_Z-2_mono2_fix1//test20tig_AVDZ_AVQZfit/ DONE 27.431087260034616 1 1.0 0.0 -1.5963260011631064e-06 1.6184599993529503e-07 -1.6021430013779536e-06 1.8397299997308103e-07
shell4_X-4_Y-2_Z3_mono1_fix1//test20tig_AVDZ_AVQZfit/ DONE 27.431087260034616 1 1.0 0.0 -1.5963260011631064e-06 1.6184599993529503e-07 -1.6021430013779536e-06 1.8397299997308103e-07
shell4_X-1_Y3_Z4_mono2_fix1//test20tig_AVDZ_AVQZfit/ DONE 27.468097190400538 1 1.0 0.0 -4.624149951837353e-07 6.544400005248363e-08 -4.629999992289413e-07 7.339599999989233e-08
shell4_X4_Y-1_Z-4_mono3_fix1//test20tig_AVDZ_AVQZfit/ DONE 27.468097190400538 1 1.0 0.0 -4.624149951837353e-07 6.544400005248363e-08 -4.629999992289413e-07 7.339599999989233e-08
shell4_X3_Y4_Z-1_mono1_fix1//test20tig_AVDZ_AVQZfit/ DONE 27.468097190400538 1 1.0 0.0 -4.624149951837353e-07 6.544400005248363e-08 -4.629999992289413e-07 7.339599999989233e-08
shell4_X4_Y-1_Z3_mono3_fix1//test20tig_AVDZ_AVQZfit/ DONE 27.468097190400538 1 1.0 0.0 -4.624149951837353e-07 6.544400005248363e-08 -4.629999992289413e-07 7.339599999989233e-08
shell4_X-4_Y4_Z-1_mono1_fix1//test20tig_AVDZ_AVQZfit/ DONE 27.468097190400538 1 1.0 0.0 -4.624149951837353e-07 6.544400005248363e-08 -4.629999992289413e-07 7.339599999989233e-08
shell4_X-1_Y-4_Z4_mono2_fix1//test20tig_AVDZ_AVQZfit/ DONE 27.468097190400538 1 1.0 0.0 -4.624149951837353e-07 6.544400005248363e-08 -4.629999992289413e-07 7.339599999989233e-08
shell4_X4_Y0_Z3_mono3_fix1//test20tig_AVDZ_AVQZfit/ DONE 27.48701049941088 1 1.0 0.0 2.5205599740729667e-07 -5.362999933034018e-09 2.5428700922702774e-07 -6.9969999794139426e-09
shell4_X0_Y3_Z4_mono2_fix1//test20tig_AVDZ_AVQZfit/ DONE 27.48701049941088 1 1.0 0.0 2.5205599740729667e-07 -5.362999933034018e-09 2.5428700922702774e-07 -6.9969999794139426e-09
shell4_X0_Y-4_Z4_mono2_fix1//test20tig_AVDZ_AVQZfit/ DONE 27.48701049941088 1 1.0 0.0 2.5205599740729667e-07 -5.362999933034018e-09 2.5428700922702774e-07 -6.9969999794139426e-09
shell4_X3_Y4_Z0_mono1_fix1//test20tig_AVDZ_AVQZfit/ DONE 27.48701049941088 1 1.0 0.0 2.5205599740729667e-07 -5.362999933034018e-09 2.5428700922702774e-07 -6.9969999794139426e-09
shell4_X4_Y0_Z-4_mono3_fix1//test20tig_AVDZ_AVQZfit/ DONE 27.48701049941088 1 1.0 0.0 2.5205599740729667e-07 -5.362999933034018e-09 2.5428700922702774e-07 -6.9969999794139426e-09
shell4_X-4_Y4_Z0_mono1_fix1//test20tig_AVDZ_AVQZfit/ DONE 27.48701049941088 1 1.0 0.0 2.5205599740729667e-07 -5.362999933034018e-09 2.5428700922702774e-07 -6.9969999794139426e-09
shell4_X-4_Y2_Z3_mono1_fix1//test20tig_AVDZ_AVQZfit/ DONE 27.50629434250179 1 1.0 0.0 1.0165909927195571e-06 -8.839099996382771e-08 1.0223290018984699e-06 -1.0008400000427464e-07
shell4_X2_Y3_Z-4_mono3_fix1//test20tig_AVDZ_AVQZfit/ DONE 27.50629434250179 1 1.0 0.0 1.0165909927195571e-06 -8.839099996382771e-08 1.0223290018984699e-06 -1.0008400000427464e-07
shell4_X3_Y-4_Z2_mono2_fix1//test20tig_AVDZ_AVQZfit/ DONE 27.50629434250179 1 1.0 0.0 1.0165909927195571e-06 -8.839099996382771e-08 1.0223290018984699e-06 -1.0008400000427464e-07
shell4_X2_Y-3_Z4_mono2_fix1//test20tig_AVDZ_AVQZfit/ DONE 27.524849108071194 1 1.0 0.0 2.3084639977355437e-06 -2.3331300003093247e-07 2.3173710061996644e-06 -2.640110000062812e-07
shell4_X2_Y2_Z4_mono2_fix1//test20tig_AVDZ_AVQZfit/ DONE 27.524849108071194 1 1.0 0.0 2.3084639977355437e-06 -2.3331300003093247e-07 2.3173710061996644e-06 -2.640110000062812e-07
shell4_X-3_Y4_Z2_mono1_fix1//test20tig_AVDZ_AVQZfit/ DONE 27.524849108071194 1 1.0 0.0 2.3084639977355437e-06 -2.3331300003093247e-07 2.3173710061996644e-06 -2.640110000062812e-07
shell4_X4_Y2_Z-3_mono3_fix1//test20tig_AVDZ_AVQZfit/ DONE 27.524849108071194 1 1.0 0.0 2.3084639977355437e-06 -2.3331300003093247e-07 2.3173710061996644e-06 -2.640110000062812e-07
shell4_X2_Y4_Z2_mono1_fix1//test20tig_AVDZ_AVQZfit/ DONE 27.524849108071194 1 1.0 0.0 2.3084639977355437e-06 -2.3331300003093247e-07 2.3173710061996644e-06 -2.640110000062812e-07
shell4_X4_Y2_Z2_mono3_fix1//test20tig_AVDZ_AVQZfit/ DONE 27.524849108071194 1 1.0 0.0 2.3084639977355437e-06 -2.3331300003093247e-07 2.3173710061996644e-06 -2.640110000062812e-07
shell4_X3_Y0_Z4_mono2_fix1//test20tig_AVDZ_AVQZfit/ DONE 27.543756967413124 1 1.0 0.0 3.59342800493323e-06 -3.852780000035416e-07 3.605701998310451e-06 -4.35334000015164e-07
shell4_X3_Y-1_Z4_mono2_fix1//test20tig_AVDZ_AVQZfit/ DONE 27.543756967413124 1 1.0 0.0 3.59342800493323e-06 -3.852780000035416e-07 3.605701998310451e-06 -4.35334000015164e-07
shell4_X0_Y4_Z3_mono1_fix1//test20tig_AVDZ_AVQZfit/ DONE 27.543756967413124 1 1.0 0.0 3.59342800493323e-06 -3.852780000035416e-07 3.605701998310451e-06 -4.35334000015164e-07
shell4_X-1_Y4_Z3_mono1_fix1//test20tig_AVDZ_AVQZfit/ DONE 27.543756967413124 1 1.0 0.0 3.59342800493323e-06 -3.852780000035416e-07 3.605701998310451e-06 -4.35334000015164e-07
shell4_X4_Y3_Z0_mono3_fix1//test20tig_AVDZ_AVQZfit/ DONE 27.543756967413124 1 1.0 0.0 3.59342800493323e-06 -3.852780000035416e-07 3.605701998310451e-06 -4.35334000015164e-07
shell4_X4_Y3_Z-1_mono3_fix1//test20tig_AVDZ_AVQZfit/ DONE 27.543756967413124 1 1.0 0.0 3.59342800493323e-06 -3.852780000035416e-07 3.605701998310451e-06 -4.35334000015164e-07
shell4_X-2_Y4_Z-3_mono0_fix1//test20tig_AVDZ_AVQZfit/ DONE 27.64114744899895 1 1.0 0.0 2.5992050041168113e-06 -2.3958899997289507e-07 2.611603996172107e-06 -2.7179100001162304e-07
shell4_X-3_Y-2_Z4_mono0_fix1//test20tig_AVDZ_AVQZfit/ DONE 27.64114744899895 1 1.0 0.0 2.5992050041168113e-06 -2.3958899997289507e-07 2.611603996172107e-06 -2.7179100001162304e-07
shell4_X3_Y2_Z-4_mono0_fix1//test20tig_AVDZ_AVQZfit/ DONE 27.64114744899895 1 1.0 0.0 2.5992050041168113e-06 -2.3958899997289507e-07 2.611603996172107e-06 -2.7179100001162304e-07
shell4_X-4_Y3_Z2_mono0_fix1//test20tig_AVDZ_AVQZfit/ DONE 27.64114744899895 1 1.0 0.0 2.5992050041168113e-06 -2.3958899997289507e-07 2.611603996172107e-06 -2.7179100001162304e-07
shell4_X4_Y-3_Z-2_mono0_fix1//test20tig_AVDZ_AVQZfit/ DONE 27.64114744899895 1 1.0 0.0 2.5992050041168113e-06 -2.3958899997289507e-07 2.611603996172107e-06 -2.7179100001162304e-07
shell4_X2_Y-4_Z3_mono0_fix1//test20tig_AVDZ_AVQZfit/ DONE 27.64114744899895 1 1.0 0.0 2.5992050041168113e-06 -2.3958899997289507e-07 2.611603996172107e-06 -2.7179100001162304e-07
shell4_X-2_Y-3_Z4_mono0_fix1//test20tig_AVDZ_AVQZfit/ DONE 27.641147674916024 1 1.0 0.0 2.6049560020169338e-06 -2.4008300003597327e-07 2.6171800016072666e-06 -2.7221399998000884e-07
shell4_X3_Y-4_Z2_mono0_fix1//test20tig_AVDZ_AVQZfit/ DONE 27.641147674916024 1 1.0 0.0 2.6049560020169338e-06 -2.4008300003597327e-07 2.6171800016072666e-06 -2.7221399998000884e-07
shell4_X-4_Y2_Z3_mono0_fix1//test20tig_AVDZ_AVQZfit/ DONE 27.641147674916024 1 1.0 0.0 2.6049560020169338e-06 -2.4008300003597327e-07 2.6171800016072666e-06 -2.7221399998000884e-07
shell4_X2_Y3_Z-4_mono0_fix1//test20tig_AVDZ_AVQZfit/ DONE 27.641147674916024 1 1.0 0.0 2.6049560020169338e-06 -2.4008300003597327e-07 2.6171800016072666e-06 -2.7221399998000884e-07
shell4_X4_Y-2_Z-3_mono0_fix1//test20tig_AVDZ_AVQZfit/ DONE 27.641147674916024 1 1.0 0.0 2.6049560020169338e-06 -2.4008300003597327e-07 2.6171800016072666e-06 -2.7221399998000884e-07
shell4_X-3_Y4_Z-2_mono0_fix1//test20tig_AVDZ_AVQZfit/ DONE 27.641147674916024 1 1.0 0.0 2.6049560020169338e-06 -2.4008300003597327e-07 2.6171800016072666e-06 -2.7221399998000884e-07
shell4_X-3_Y4_Z2_mono0_fix1//test20tig_AVDZ_AVQZfit/ DONE 27.642133674393364 1 1.0 0.0 1.820900997984154e-06 -1.7292499998600164e-07 1.8298710031672272e-06 -1.9514399995923526e-07
shell4_X3_Y-4_Z-2_mono0_fix1//test20tig_AVDZ_AVQZfit/ DONE 27.642133674393364 1 1.0 0.0 1.820900997984154e-06 -1.7292499998600164e-07 1.8298710031672272e-06 -1.9514399995923526e-07
shell4_X-2_Y3_Z-4_mono0_fix1//test20tig_AVDZ_AVQZfit/ DONE 27.642133674393364 1 1.0 0.0 1.820900997984154e-06 -1.7292499998600164e-07 1.8298710031672272e-06 -1.9514399995923526e-07
shell4_X2_Y-3_Z4_mono0_fix1//test20tig_AVDZ_AVQZfit/ DONE 27.642133674393364 1 1.0 0.0 1.820900997984154e-06 -1.7292499998600164e-07 1.8298710031672272e-06 -1.9514399995923526e-07
shell4_X-4_Y-2_Z3_mono0_fix1//test20tig_AVDZ_AVQZfit/ DONE 27.642133674393364 1 1.0 0.0 1.820900997984154e-06 -1.7292499998600164e-07 1.8298710031672272e-06 -1.9514399995923526e-07
shell4_X4_Y2_Z-3_mono0_fix1//test20tig_AVDZ_AVQZfit/ DONE 27.642133674393364 1 1.0 0.0 1.820900997984154e-06 -1.7292499998600164e-07 1.8298710031672272e-06 -1.9514399995923526e-07
shell4_X-2_Y-4_Z3_mono0_fix1//test20tig_AVDZ_AVQZfit/ DONE 27.642134856175907 1 1.0 0.0 1.848909995771919e-06 -1.7412500002977893e-07 1.8570620028413032e-06 -1.9722099997565579e-07
shell4_X2_Y4_Z-3_mono0_fix1//test20tig_AVDZ_AVQZfit/ DONE 27.642134856175907 1 1.0 0.0 1.848909995771919e-06 -1.7412500002977893e-07 1.8570620028413032e-06 -1.9722099997565579e-07
shell4_X-3_Y2_Z4_mono0_fix1//test20tig_AVDZ_AVQZfit/ DONE 27.642134856175907 1 1.0 0.0 1.848909995771919e-06 -1.7412500002977893e-07 1.8570620028413032e-06 -1.9722099997565579e-07
shell4_X3_Y-2_Z-4_mono0_fix1//test20tig_AVDZ_AVQZfit/ DONE 27.642134856175907 1 1.0 0.0 1.848909995771919e-06 -1.7412500002977893e-07 1.8570620028413032e-06 -1.9722099997565579e-07
shell4_X-4_Y3_Z-2_mono0_fix1//test20tig_AVDZ_AVQZfit/ DONE 27.642134856175907 1 1.0 0.0 1.848909995771919e-06 -1.7412500002977893e-07 1.8570620028413032e-06 -1.9722099997565579e-07
shell4_X4_Y-3_Z2_mono0_fix1//test20tig_AVDZ_AVQZfit/ DONE 27.642134856175907 1 1.0 0.0 1.848909995771919e-06 -1.7412500002977893e-07 1.8570620028413032e-06 -1.9722099997565579e-07
shell4_X-3_Y2_Z-4_mono0_fix1//test20tig_AVDZ_AVQZfit/ DONE 27.64410592005187 1 1.0 0.0 3.152779939341599e-07 -3.8690000037089334e-08 3.167229962741658e-07 -4.28140000396926e-08
shell4_X4_Y3_Z-2_mono0_fix1//test20tig_AVDZ_AVQZfit/ DONE 27.64410592005187 1 1.0 0.0 3.152779939341599e-07 -3.8690000037089334e-08 3.167229962741658e-07 -4.28140000396926e-08
shell4_X-2_Y4_Z3_mono0_fix1//test20tig_AVDZ_AVQZfit/ DONE 27.64410592005187 1 1.0 0.0 3.152779939341599e-07 -3.8690000037089334e-08 3.167229962741658e-07 -4.28140000396926e-08
shell4_X2_Y-4_Z-3_mono0_fix1//test20tig_AVDZ_AVQZfit/ DONE 27.64410592005187 1 1.0 0.0 3.152779939341599e-07 -3.8690000037089334e-08 3.167229962741658e-07 -4.28140000396926e-08
shell4_X-4_Y-3_Z2_mono0_fix1//test20tig_AVDZ_AVQZfit/ DONE 27.64410592005187 1 1.0 0.0 3.152779939341599e-07 -3.8690000037089334e-08 3.167229962741658e-07 -4.28140000396926e-08
shell4_X3_Y-2_Z4_mono0_fix1//test20tig_AVDZ_AVQZfit/ DONE 27.64410592005187 1 1.0 0.0 3.152779939341599e-07 -3.8690000037089334e-08 3.167229962741658e-07 -4.28140000396926e-08
shell4_X-2_Y3_Z4_mono0_fix1//test20tig_AVDZ_AVQZfit/ DONE 27.64410676799554 1 1.0 0.0 3.353120021643008e-07 -3.967300005180974e-08 3.36167992998071e-07 -4.429800001815032e-08
shell4_X2_Y-3_Z-4_mono0_fix1//test20tig_AVDZ_AVQZfit/ DONE 27.64410676799554 1 1.0 0.0 3.353120021643008e-07 -3.967300005180974e-08 3.36167992998071e-07 -4.429800001815032e-08
shell4_X-3_Y-4_Z2_mono0_fix1//test20tig_AVDZ_AVQZfit/ DONE 27.64410676799554 1 1.0 0.0 3.353120021643008e-07 -3.967300005180974e-08 3.36167992998071e-07 -4.429800001815032e-08
shell4_X3_Y4_Z-2_mono0_fix1//test20tig_AVDZ_AVQZfit/ DONE 27.64410676799554 1 1.0 0.0 3.353120021643008e-07 -3.967300005180974e-08 3.36167992998071e-07 -4.429800001815032e-08
shell4_X-4_Y2_Z-3_mono0_fix1//test20tig_AVDZ_AVQZfit/ DONE 27.64410676799554 1 1.0 0.0 3.353120021643008e-07 -3.967300005180974e-08 3.36167992998071e-07 -4.429800001815032e-08
shell4_X4_Y-2_Z3_mono0_fix1//test20tig_AVDZ_AVQZfit/ DONE 27.64410676799554 1 1.0 0.0 3.353120021643008e-07 -3.967300005180974e-08 3.36167992998071e-07 -4.429800001815032e-08
shell4_X-2_Y-4_Z-3_mono0_fix1//test20tig_AVDZ_AVQZfit/ DONE 27.65099494342022 1 1.0 0.0 -4.704566997304482e-06 4.4269999999180243e-07 -4.728127990460962e-06 5.011220000072925e-07
shell4_X2_Y4_Z3_mono0_fix1//test20tig_AVDZ_AVQZfit/ DONE 27.65099494342022 1 1.0 0.0 -4.704566997304482e-06 4.4269999999180243e-07 -4.728127990460962e-06 5.011220000072925e-07
shell4_X-3_Y-2_Z-4_mono0_fix1//test20tig_AVDZ_AVQZfit/ DONE 27.65099494342022 1 1.0 0.0 -4.704566997304482e-06 4.4269999999180243e-07 -4.728127990460962e-06 5.011220000072925e-07
shell4_X3_Y2_Z4_mono0_fix1//test20tig_AVDZ_AVQZfit/ DONE 27.65099494342022 1 1.0 0.0 -4.704566997304482e-06 4.4269999999180243e-07 -4.728127990460962e-06 5.011220000072925e-07
shell4_X4_Y3_Z2_mono0_fix1//test20tig_AVDZ_AVQZfit/ DONE 27.65099494342022 1 1.0 0.0 -4.704566997304482e-06 4.4269999999180243e-07 -4.728127990460962e-06 5.011220000072925e-07
shell4_X-4_Y-3_Z-2_mono0_fix1//test20tig_AVDZ_AVQZfit/ DONE 27.65099494342022 1 1.0 0.0 -4.704566997304482e-06 4.4269999999180243e-07 -4.728127990460962e-06 5.011220000072925e-07
shell4_X-4_Y-2_Z-3_mono0_fix1//test20tig_AVDZ_AVQZfit/ DONE 27.65099494342022 1 1.0 0.0 -4.704566997304482e-06 4.4269999999180243e-07 -4.728127990460962e-06 5.011220000072925e-07
shell4_X2_Y3_Z4_mono0_fix1//test20tig_AVDZ_AVQZfit/ DONE 27.65099494342022 1 1.0 0.0 -4.704566997304482e-06 4.4269999999180243e-07 -4.728127990460962e-06 5.011220000072925e-07
shell4_X-3_Y-4_Z-2_mono0_fix1//test20tig_AVDZ_AVQZfit/ DONE 27.65099494342022 1 1.0 0.0 -4.704566997304482e-06 4.4269999999180243e-07 -4.728127990460962e-06 5.011220000072925e-07
shell4_X3_Y4_Z2_mono0_fix1//test20tig_AVDZ_AVQZfit/ DONE 27.65099494342022 1 1.0 0.0 -4.704566997304482e-06 4.4269999999180243e-07 -4.728127990460962e-06 5.011220000072925e-07
shell4_X4_Y2_Z3_mono0_fix1//test20tig_AVDZ_AVQZfit/ DONE 27.65099494342022 1 1.0 0.0 -4.704566997304482e-06 4.4269999999180243e-07 -4.728127990460962e-06 5.011220000072925e-07
shell4_X-2_Y-3_Z-4_mono0_fix1//test20tig_AVDZ_AVQZfit/ DONE 27.65099494342022 1 1.0 0.0 -4.704566997304482e-06 4.4269999999180243e-07 -4.728127990460962e-06 5.011220000072925e-07
shell4_X-3_Y-1_Z4_mono3_fix1//test20tig_AVDZ_AVQZfit/ DONE 27.820525778682104 1 1.0 0.0 -2.111707004814889e-06 1.5676699993694143e-07 -2.127610997604279e-06 1.7808300004085176e-07
shell4_X-1_Y4_Z-3_mono2_fix1//test20tig_AVDZ_AVQZfit/ DONE 27.820525778682104 1 1.0 0.0 -2.111707004814889e-06 1.5676699993694143e-07 -2.127610997604279e-06 1.7808300004085176e-07
shell4_X4_Y-3_Z-1_mono1_fix1//test20tig_AVDZ_AVQZfit/ DONE 27.820525778682104 1 1.0 0.0 -2.111707004814889e-06 1.5676699993694143e-07 -2.127610997604279e-06 1.7808300004085176e-07
shell4_X4_Y-3_Z0_mono1_fix1//test20tig_AVDZ_AVQZfit/ DONE 27.83750972131917 1 1.0 0.0 -2.525385994545104e-06 2.035850000248196e-07 -2.54187999360056e-06 2.3149000002997688e-07
shell4_X0_Y4_Z-3_mono2_fix1//test20tig_AVDZ_AVQZfit/ DONE 27.83750972131917 1 1.0 0.0 -2.525385994545104e-06 2.035850000248196e-07 -2.54187999360056e-06 2.3149000002997688e-07
shell4_X-3_Y0_Z4_mono3_fix1//test20tig_AVDZ_AVQZfit/ DONE 27.83750972131917 1 1.0 0.0 -2.525385994545104e-06 2.035850000248196e-07 -2.54187999360056e-06 2.3149000002997688e-07
shell4_X0_Y-3_Z4_mono1_fix1//test20tig_AVDZ_AVQZfit/ DONE 27.90505222282411 1 1.0 0.0 -4.808630009733861e-07 5.474299991092835e-08 -4.83251000105156e-07 6.137900002145535e-08
shell4_X-1_Y-3_Z4_mono1_fix1//test20tig_AVDZ_AVQZfit/ DONE 27.90505222282411 1 1.0 0.0 -4.808630009733861e-07 5.474299991092835e-08 -4.83251000105156e-07 6.137900002145535e-08
shell4_X-3_Y4_Z-1_mono3_fix1//test20tig_AVDZ_AVQZfit/ DONE 27.90505222282411 1 1.0 0.0 -4.808630009733861e-07 5.474299991092835e-08 -4.83251000105156e-07 6.137900002145535e-08
shell4_X-3_Y4_Z0_mono3_fix1//test20tig_AVDZ_AVQZfit/ DONE 27.90505222282411 1 1.0 0.0 -4.808630009733861e-07 5.474299991092835e-08 -4.83251000105156e-07 6.137900002145535e-08
shell4_X4_Y0_Z-3_mono2_fix1//test20tig_AVDZ_AVQZfit/ DONE 27.90505222282411 1 1.0 0.0 -4.808630009733861e-07 5.474299991092835e-08 -4.83251000105156e-07 6.137900002145535e-08
shell4_X4_Y-1_Z-3_mono2_fix1//test20tig_AVDZ_AVQZfit/ DONE 27.90505222282411 1 1.0 0.0 -4.808630009733861e-07 5.474299991092835e-08 -4.83251000105156e-07 6.137900002145535e-08
shell4_X3_Y-1_Z4_mono3_fix1//test20tig_AVDZ_AVQZfit/ DONE 27.92560245634657 1 1.0 0.0 -1.6312430020093416e-06 1.7691100001604454e-07 -1.6372540017073334e-06 1.9964599998201216e-07
shell4_X-1_Y4_Z3_mono2_fix1//test20tig_AVDZ_AVQZfit/ DONE 27.92560245634657 1 1.0 0.0 -1.6312430020093416e-06 1.7691100001604454e-07 -1.6372540017073334e-06 1.9964599998201216e-07
shell4_X4_Y3_Z-1_mono1_fix1//test20tig_AVDZ_AVQZfit/ DONE 27.92560245634657 1 1.0 0.0 -1.6312430020093416e-06 1.7691100001604454e-07 -1.6372540017073334e-06 1.9964599998201216e-07
shell4_X4_Y3_Z0_mono1_fix1//test20tig_AVDZ_AVQZfit/ DONE 27.943959606337195 1 1.0 0.0 -1.036686001043563e-06 1.241110000327339e-07 -1.0396889962294154e-06 1.3979699997612727e-07
shell4_X0_Y4_Z3_mono2_fix1//test20tig_AVDZ_AVQZfit/ DONE 27.943959606337195 1 1.0 0.0 -1.036686001043563e-06 1.241110000327339e-07 -1.0396889962294154e-06 1.3979699997612727e-07
shell4_X3_Y0_Z4_mono3_fix1//test20tig_AVDZ_AVQZfit/ DONE 27.943959606337195 1 1.0 0.0 -1.036686001043563e-06 1.241110000327339e-07 -1.0396889962294154e-06 1.3979699997612727e-07
shell4_X4_Y0_Z3_mono2_fix1//test20tig_AVDZ_AVQZfit/ DONE 28.017316715958557 1 1.0 0.0 3.3113889941205343e-06 -3.5253300006976573e-07 3.3231509917186486e-06 -3.981710000044991e-07
shell4_X0_Y3_Z4_mono1_fix1//test20tig_AVDZ_AVQZfit/ DONE 28.017316715958557 1 1.0 0.0 3.3113889941205343e-06 -3.5253300006976573e-07 3.3231509917186486e-06 -3.981710000044991e-07
shell4_X-1_Y3_Z4_mono1_fix1//test20tig_AVDZ_AVQZfit/ DONE 28.017316715958557 1 1.0 0.0 3.3113889941205343e-06 -3.5253300006976573e-07 3.3231509917186486e-06 -3.981710000044991e-07
shell4_X3_Y4_Z0_mono3_fix1//test20tig_AVDZ_AVQZfit/ DONE 28.017316715958557 1 1.0 0.0 3.3113889941205343e-06 -3.5253300006976573e-07 3.3231509917186486e-06 -3.981710000044991e-07
shell4_X3_Y4_Z-1_mono3_fix1//test20tig_AVDZ_AVQZfit/ DONE 28.017316715958557 1 1.0 0.0 3.3113889941205343e-06 -3.5253300006976573e-07 3.3231509917186486e-06 -3.981710000044991e-07
shell4_X4_Y-1_Z3_mono2_fix1//test20tig_AVDZ_AVQZfit/ DONE 28.017316715958557 1 1.0 0.0 3.3113889941205343e-06 -3.5253300006976573e-07 3.3231509917186486e-06 -3.981710000044991e-07
shell4_X-2_Y-4_Z-4_mono1_fix1//test20tig_AVDZ_AVQZfit/ DONE 28.222734566192145 1 1.0 0.0 4.246430002297075e-06 -3.5073799992124677e-07 4.27173200279185e-06 -3.979599999814898e-07
shell4_X-4_Y-4_Z-2_mono3_fix1//test20tig_AVDZ_AVQZfit/ DONE 28.222734566192145 1 1.0 0.0 4.246430002297075e-06 -3.5073799992124677e-07 4.27173200279185e-06 -3.979599999814898e-07
shell4_X-4_Y-2_Z-4_mono2_fix1//test20tig_AVDZ_AVQZfit/ DONE 28.222734566192145 1 1.0 0.0 4.246430002297075e-06 -3.5073799992124677e-07 4.27173200279185e-06 -3.979599999814898e-07
shell4_X1_Y-4_Z-4_mono1_fix1//test20tig_AVDZ_AVQZfit/ DONE 28.222734566192145 1 1.0 0.0 4.246430002297075e-06 -3.5073799992124677e-07 4.27173200279185e-06 -3.979599999814898e-07
shell4_X-4_Y1_Z-4_mono2_fix1//test20tig_AVDZ_AVQZfit/ DONE 28.222734566192145 1 1.0 0.0 4.246430002297075e-06 -3.5073799992124677e-07 4.27173200279185e-06 -3.979599999814898e-07
shell4_X-4_Y-4_Z1_mono3_fix1//test20tig_AVDZ_AVQZfit/ DONE 28.222734566192145 1 1.0 0.0 4.246430002297075e-06 -3.5073799992124677e-07 4.27173200279185e-06 -3.979599999814898e-07
shell4_X-2_Y-4_Z-4_mono2_fix1//test20tig_AVDZ_AVQZfit/ DONE 28.25581327502352 1 1.0 0.0 3.5265299658249205e-07 -5.632099997487927e-08 3.5029000144959355e-07 -6.400800001138407e-08
shell4_X3_Y-4_Z-2_mono1_fix1//test20tig_AVDZ_AVQZfit/ DONE 28.25581327502352 1 1.0 0.0 3.5265299658249205e-07 -5.632099997487927e-08 3.5029000144959355e-07 -6.400800001138407e-08
shell4_X-4_Y-2_Z3_mono3_fix1//test20tig_AVDZ_AVQZfit/ DONE 28.25581327502352 1 1.0 0.0 3.5265299658249205e-07 -5.632099997487927e-08 3.5029000144959355e-07 -6.400800001138407e-08
shell4_X-4_Y-2_Z-4_mono3_fix1//test20tig_AVDZ_AVQZfit/ DONE 28.25581327502352 1 1.0 0.0 3.5265299658249205e-07 -5.632099997487927e-08 3.5029000144959355e-07 -6.400800001138407e-08
shell4_X-2_Y3_Z-4_mono2_fix1//test20tig_AVDZ_AVQZfit/ DONE 28.25581327502352 1 1.0 0.0 3.5265299658249205e-07 -5.632099997487927e-08 3.5029000144959355e-07 -6.400800001138407e-08
shell4_X-4_Y-4_Z-2_mono1_fix1//test20tig_AVDZ_AVQZfit/ DONE 28.25581327502352 1 1.0 0.0 3.5265299658249205e-07 -5.632099997487927e-08 3.5029000144959355e-07 -6.400800001138407e-08
shell4_X-2_Y-3_Z4_mono3_fix1//test20tig_AVDZ_AVQZfit/ DONE 28.272923750470376 1 1.0 0.0 -1.3728940047030846e-06 8.686900004883924e-08 -1.3846639959069762e-06 9.938400000186753e-08
shell4_X4_Y-2_Z-3_mono1_fix1//test20tig_AVDZ_AVQZfit/ DONE 28.272923750470376 1 1.0 0.0 -1.3728940047030846e-06 8.686900004883924e-08 -1.3846639959069762e-06 9.938400000186753e-08
shell4_X-3_Y4_Z-2_mono2_fix1//test20tig_AVDZ_AVQZfit/ DONE 28.272923750470376 1 1.0 0.0 -1.3728940047030846e-06 8.686900004883924e-08 -1.3846639959069762e-06 9.938400000186753e-08
shell4_X-4_Y1_Z-4_mono3_fix1//test20tig_AVDZ_AVQZfit/ DONE 28.305261896662564 1 1.0 0.0 -1.6420370059222478e-06 1.2772899998791942e-07 -1.6529929922626252e-06 1.4561400002444103e-07
shell4_X1_Y3_Z-4_mono2_fix1//test20tig_AVDZ_AVQZfit/ DONE 28.305261896662564 1 1.0 0.0 -1.6420370059222478e-06 1.2772899998791942e-07 -1.6529929922626252e-06 1.4561400002444103e-07
shell4_X1_Y-4_Z-4_mono2_fix1//test20tig_AVDZ_AVQZfit/ DONE 28.305261896662564 1 1.0 0.0 -1.6420370059222478e-06 1.2772899998791942e-07 -1.6529929922626252e-06 1.4561400002444103e-07
shell4_X-4_Y1_Z3_mono3_fix1//test20tig_AVDZ_AVQZfit/ DONE 28.305261896662564 1 1.0 0.0 -1.6420370059222478e-06 1.2772899998791942e-07 -1.6529929922626252e-06 1.4561400002444103e-07
shell4_X3_Y-4_Z1_mono1_fix1//test20tig_AVDZ_AVQZfit/ DONE 28.305261896662564 1 1.0 0.0 -1.6420370059222478e-06 1.2772899998791942e-07 -1.6529929922626252e-06 1.4561400002444103e-07
shell4_X-4_Y-4_Z1_mono1_fix1//test20tig_AVDZ_AVQZfit/ DONE 28.305261896662564 1 1.0 0.0 -1.6420370059222478e-06 1.2772899998791942e-07 -1.6529929922626252e-06 1.4561400002444103e-07
shell4_X3_Y1_Z-4_mono2_fix1//test20tig_AVDZ_AVQZfit/ DONE 28.338030837416134 1 1.0 0.0 -1.0207819940433183e-06 9.007600004773408e-08 -1.0264970029538745e-06 1.025199999893367e-07
shell4_X1_Y-4_Z3_mono1_fix1//test20tig_AVDZ_AVQZfit/ DONE 28.338030837416134 1 1.0 0.0 -1.0207819940433183e-06 9.007600004773408e-08 -1.0264970029538745e-06 1.025199999893367e-07
shell4_X-2_Y-4_Z3_mono1_fix1//test20tig_AVDZ_AVQZfit/ DONE 28.338030837416134 1 1.0 0.0 -1.0207819940433183e-06 9.007600004773408e-08 -1.0264970029538745e-06 1.025199999893367e-07
shell4_X3_Y-2_Z-4_mono2_fix1//test20tig_AVDZ_AVQZfit/ DONE 28.338030837416134 1 1.0 0.0 -1.0207819940433183e-06 9.007600004773408e-08 -1.0264970029538745e-06 1.025199999893367e-07
shell4_X-4_Y3_Z1_mono3_fix1//test20tig_AVDZ_AVQZfit/ DONE 28.338030837416134 1 1.0 0.0 -1.0207819940433183e-06 9.007600004773408e-08 -1.0264970029538745e-06 1.025199999893367e-07
shell4_X-4_Y3_Z-2_mono3_fix1//test20tig_AVDZ_AVQZfit/ DONE 28.338030837416134 1 1.0 0.0 -1.0207819940433183e-06 9.007600004773408e-08 -1.0264970029538745e-06 1.025199999893367e-07
shell4_X2_Y-3_Z4_mono3_fix1//test20tig_AVDZ_AVQZfit/ DONE 28.340118782382742 1 1.0 0.0 -2.5048599994192955e-06 2.2700099999717338e-07 -2.5175329980697825e-06 2.5788899998824277e-07
shell4_X-3_Y4_Z2_mono2_fix1//test20tig_AVDZ_AVQZfit/ DONE 28.340118782382742 1 1.0 0.0 -2.5048599994192955e-06 2.2700099999717338e-07 -2.5175329980697825e-06 2.5788899998824277e-07
shell4_X4_Y2_Z-3_mono1_fix1//test20tig_AVDZ_AVQZfit/ DONE 28.340118782382742 1 1.0 0.0 -2.5048599994192955e-06 2.2700099999717338e-07 -2.5175329980697825e-06 2.5788899998824277e-07
shell4_X1_Y4_Z-4_mono1_fix1//test20tig_AVDZ_AVQZfit/ DONE 28.35566851856541 1 1.0 0.0 -9.068099942055596e-07 8.666700002102345e-08 -9.110580023730108e-07 9.83589999725698e-08
shell4_X4_Y-4_Z-2_mono3_fix1//test20tig_AVDZ_AVQZfit/ DONE 28.35566851856541 1 1.0 0.0 -9.068099942055596e-07 8.666700002102345e-08 -9.110580023730108e-07 9.83589999725698e-08
shell4_X-2_Y4_Z-4_mono1_fix1//test20tig_AVDZ_AVQZfit/ DONE 28.35566851856541 1 1.0 0.0 -9.068099942055596e-07 8.666700002102345e-08 -9.110580023730108e-07 9.83589999725698e-08
shell4_X-4_Y1_Z4_mono2_fix1//test20tig_AVDZ_AVQZfit/ DONE 28.35566851856541 1 1.0 0.0 -9.068099942055596e-07 8.666700002102345e-08 -9.110580023730108e-07 9.83589999725698e-08
shell4_X-4_Y-2_Z4_mono2_fix1//test20tig_AVDZ_AVQZfit/ DONE 28.35566851856541 1 1.0 0.0 -9.068099942055596e-07 8.666700002102345e-08 -9.110580023730108e-07 9.83589999725698e-08
shell4_X4_Y-4_Z1_mono3_fix1//test20tig_AVDZ_AVQZfit/ DONE 28.35566851856541 1 1.0 0.0 -9.068099942055596e-07 8.666700002102345e-08 -9.110580023730108e-07 9.83589999725698e-08
shell4_X-2_Y2_Z4_mono3_fix1//test20tig_AVDZ_AVQZfit/ DONE 28.357689373331446 1 1.0 0.0 -2.32488200424541e-06 2.2109499997480242e-07 -2.335320992585821e-06 2.513629999978395e-07
shell4_X2_Y4_Z-2_mono2_fix1//test20tig_AVDZ_AVQZfit/ DONE 28.357689373331446 1 1.0 0.0 -2.32488200424541e-06 2.2109499997480242e-07 -2.335320992585821e-06 2.513629999978395e-07
shell4_X4_Y-2_Z2_mono1_fix1//test20tig_AVDZ_AVQZfit/ DONE 28.357689373331446 1 1.0 0.0 -2.32488200424541e-06 2.2109499997480242e-07 -2.335320992585821e-06 2.513629999978395e-07
shell4_X-2_Y4_Z2_mono3_fix1//test20tig_AVDZ_AVQZfit/ DONE 28.39137592499211 1 1.0 0.0 -5.415920014684161e-07 6.443500000230529e-08 -5.429879905705093e-07 7.289299999713172e-08
shell4_X-3_Y-2_Z4_mono1_fix1//test20tig_AVDZ_AVQZfit/ DONE 28.39137592499211 1 1.0 0.0 -5.415920014684161e-07 6.443500000230529e-08 -5.429879905705093e-07 7.289299999713172e-08
shell4_X-2_Y4_Z-3_mono3_fix1//test20tig_AVDZ_AVQZfit/ DONE 28.39137592499211 1 1.0 0.0 -5.415920014684161e-07 6.443500000230529e-08 -5.429879905705093e-07 7.289299999713172e-08
shell4_X4_Y2_Z-2_mono2_fix1//test20tig_AVDZ_AVQZfit/ DONE 28.39137592499211 1 1.0 0.0 -5.415920014684161e-07 6.443500000230529e-08 -5.429879905705093e-07 7.289299999713172e-08
shell4_X4_Y-3_Z-2_mono2_fix1//test20tig_AVDZ_AVQZfit/ DONE 28.39137592499211 1 1.0 0.0 -5.415920014684161e-07 6.443500000230529e-08 -5.429879905705093e-07 7.289299999713172e-08
shell4_X2_Y-2_Z4_mono1_fix1//test20tig_AVDZ_AVQZfit/ DONE 28.39137592499211 1 1.0 0.0 -5.415920014684161e-07 6.443500000230529e-08 -5.429879905705093e-07 7.289299999713172e-08
shell4_X3_Y4_Z-2_mono1_fix1//test20tig_AVDZ_AVQZfit/ DONE 28.392027892333953 1 1.0 0.0 -9.697279921283553e-07 1.0783299997374485e-07 -9.72959000478113e-07 1.218289999993516e-07
shell4_X4_Y-2_Z3_mono3_fix1//test20tig_AVDZ_AVQZfit/ DONE 28.392027892333953 1 1.0 0.0 -9.697279921283553e-07 1.0783299997374485e-07 -9.72959000478113e-07 1.218289999993516e-07
shell4_X4_Y-2_Z-4_mono3_fix1//test20tig_AVDZ_AVQZfit/ DONE 28.392027892333953 1 1.0 0.0 -9.697279921283553e-07 1.0783299997374485e-07 -9.72959000478113e-07 1.218289999993516e-07
shell4_X-2_Y3_Z4_mono2_fix1//test20tig_AVDZ_AVQZfit/ DONE 28.392027892333953 1 1.0 0.0 -9.697279921283553e-07 1.0783299997374485e-07 -9.72959000478113e-07 1.218289999993516e-07
shell4_X-2_Y-4_Z4_mono2_fix1//test20tig_AVDZ_AVQZfit/ DONE 28.392027892333953 1 1.0 0.0 -9.697279921283553e-07 1.0783299997374485e-07 -9.72959000478113e-07 1.218289999993516e-07
shell4_X-4_Y4_Z-2_mono1_fix1//test20tig_AVDZ_AVQZfit/ DONE 28.392027892333953 1 1.0 0.0 -9.697279921283553e-07 1.0783299997374485e-07 -9.72959000478113e-07 1.218289999993516e-07
shell4_X2_Y4_Z2_mono2_fix1//test20tig_AVDZ_AVQZfit/ DONE 28.4292381095477 1 1.0 0.0 -3.661739995663993e-07 5.6784000057596984e-08 -3.658280007812209e-07 6.391400003691317e-08
shell4_X2_Y2_Z4_mono3_fix1//test20tig_AVDZ_AVQZfit/ DONE 28.4292381095477 1 1.0 0.0 -3.661739995663993e-07 5.6784000057596984e-08 -3.658280007812209e-07 6.391400003691317e-08
shell4_X4_Y2_Z2_mono1_fix1//test20tig_AVDZ_AVQZfit/ DONE 28.4292381095477 1 1.0 0.0 -3.661739995663993e-07 5.6784000057596984e-08 -3.658280007812209e-07 6.391400003691317e-08
shell4_X1_Y-4_Z4_mono2_fix1//test20tig_AVDZ_AVQZfit/ DONE 28.446700754833227 1 1.0 0.0 8.51803001467033e-07 -7.131199997179039e-08 8.560020035019988e-07 -8.145300001149991e-08
shell4_X3_Y4_Z1_mono1_fix1//test20tig_AVDZ_AVQZfit/ DONE 28.446700754833227 1 1.0 0.0 8.51803001467033e-07 -7.131199997179039e-08 8.560020035019988e-07 -8.145300001149991e-08
shell4_X4_Y1_Z3_mono3_fix1//test20tig_AVDZ_AVQZfit/ DONE 28.446700754833227 1 1.0 0.0 8.51803001467033e-07 -7.131199997179039e-08 8.560020035019988e-07 -8.145300001149991e-08
shell4_X4_Y1_Z-4_mono3_fix1//test20tig_AVDZ_AVQZfit/ DONE 28.446700754833227 1 1.0 0.0 8.51803001467033e-07 -7.131199997179039e-08 8.560020035019988e-07 -8.145300001149991e-08
shell4_X1_Y3_Z4_mono2_fix1//test20tig_AVDZ_AVQZfit/ DONE 28.446700754833227 1 1.0 0.0 8.51803001467033e-07 -7.131199997179039e-08 8.560020035019988e-07 -8.145300001149991e-08
shell4_X-4_Y4_Z1_mono1_fix1//test20tig_AVDZ_AVQZfit/ DONE 28.446700754833227 1 1.0 0.0 8.51803001467033e-07 -7.131199997179039e-08 8.560020035019988e-07 -8.145300001149991e-08
shell4_X2_Y2_Z4_mono1_fix1//test20tig_AVDZ_AVQZfit/ DONE 28.46480427018193 1 1.0 0.0 1.9341270061090654e-06 -1.9260600003789818e-07 1.942417995337564e-06 -2.17722999990011e-07
shell4_X-3_Y2_Z4_mono1_fix1//test20tig_AVDZ_AVQZfit/ DONE 28.46480427018193 1 1.0 0.0 1.9341270061090654e-06 -1.9260600003789818e-07 1.942417995337564e-06 -2.17722999990011e-07
shell4_X2_Y4_Z2_mono3_fix1//test20tig_AVDZ_AVQZfit/ DONE 28.46480427018193 1 1.0 0.0 1.9341270061090654e-06 -1.9260600003789818e-07 1.942417995337564e-06 -2.17722999990011e-07
shell4_X4_Y2_Z2_mono2_fix1//test20tig_AVDZ_AVQZfit/ DONE 28.46480427018193 1 1.0 0.0 1.9341270061090654e-06 -1.9260600003789818e-07 1.942417995337564e-06 -2.17722999990011e-07
shell4_X4_Y-3_Z2_mono2_fix1//test20tig_AVDZ_AVQZfit/ DONE 28.46480427018193 1 1.0 0.0 1.9341270061090654e-06 -1.9260600003789818e-07 1.942417995337564e-06 -2.17722999990011e-07
shell4_X2_Y4_Z-3_mono3_fix1//test20tig_AVDZ_AVQZfit/ DONE 28.46480427018193 1 1.0 0.0 1.9341270061090654e-06 -1.9260600003789818e-07 1.942417995337564e-06 -2.17722999990011e-07
shell4_X4_Y3_Z1_mono3_fix1//test20tig_AVDZ_AVQZfit/ DONE 28.48315073736328 1 1.0 0.0 2.95059100352546e-06 -3.10963999994307e-07 2.961086003949731e-06 -3.515349999982931e-07
shell4_X4_Y3_Z-2_mono3_fix1//test20tig_AVDZ_AVQZfit/ DONE 28.48315073736328 1 1.0 0.0 2.95059100352546e-06 -3.10963999994307e-07 2.961086003949731e-06 -3.515349999982931e-07
shell4_X3_Y-2_Z4_mono2_fix1//test20tig_AVDZ_AVQZfit/ DONE 28.48315073736328 1 1.0 0.0 2.95059100352546e-06 -3.10963999994307e-07 2.961086003949731e-06 -3.515349999982931e-07
shell4_X1_Y4_Z3_mono1_fix1//test20tig_AVDZ_AVQZfit/ DONE 28.48315073736328 1 1.0 0.0 2.95059100352546e-06 -3.10963999994307e-07 2.961086003949731e-06 -3.515349999982931e-07
shell4_X-2_Y4_Z3_mono1_fix1//test20tig_AVDZ_AVQZfit/ DONE 28.48315073736328 1 1.0 0.0 2.95059100352546e-06 -3.10963999994307e-07 2.961086003949731e-06 -3.515349999982931e-07
shell4_X3_Y1_Z4_mono2_fix1//test20tig_AVDZ_AVQZfit/ DONE 28.48315073736328 1 1.0 0.0 2.95059100352546e-06 -3.10963999994307e-07 2.961086003949731e-06 -3.515349999982931e-07
shell4_X-3_Y-2_Z4_mono3_fix1//test20tig_AVDZ_AVQZfit/ DONE 28.734574219805513 1 1.0 0.0 -1.2723059938934966e-06 8.216200003685614e-08 -1.2837459948400465e-06 9.33529999969096e-08
shell4_X-2_Y4_Z-3_mono2_fix1//test20tig_AVDZ_AVQZfit/ DONE 28.734574219805513 1 1.0 0.0 -1.2723059938934966e-06 8.216200003685614e-08 -1.2837459948400465e-06 9.33529999969096e-08
shell4_X4_Y-3_Z-2_mono1_fix1//test20tig_AVDZ_AVQZfit/ DONE 28.734574219805513 1 1.0 0.0 -1.2723059938934966e-06 8.216200003685614e-08 -1.2837459948400465e-06 9.33529999969096e-08
shell4_X-3_Y1_Z4_mono3_fix1//test20tig_AVDZ_AVQZfit/ DONE 28.784006217397685 1 1.0 0.0 -2.3465409952905247e-06 2.0168300002287864e-07 -2.3600009910751396e-06 2.293710000267346e-07
shell4_X1_Y4_Z-3_mono2_fix1//test20tig_AVDZ_AVQZfit/ DONE 28.784006217397685 1 1.0 0.0 -2.3465409952905247e-06 2.0168300002287864e-07 -2.3600009910751396e-06 2.293710000267346e-07
shell4_X4_Y-3_Z1_mono1_fix1//test20tig_AVDZ_AVQZfit/ DONE 28.784006217397685 1 1.0 0.0 -2.3465409952905247e-06 2.0168300002287864e-07 -2.3600009910751396e-06 2.293710000267346e-07
shell4_X1_Y-3_Z4_mono1_fix1//test20tig_AVDZ_AVQZfit/ DONE 28.83313210168647 1 1.0 0.0 -6.033619968093262e-07 6.480999997782178e-08 -6.060879940150699e-07 7.311700001011445e-08
shell4_X-2_Y-3_Z4_mono1_fix1//test20tig_AVDZ_AVQZfit/ DONE 28.83313210168647 1 1.0 0.0 -6.033619968093262e-07 6.480999997782178e-08 -6.060879940150699e-07 7.311700001011445e-08
shell4_X-3_Y4_Z1_mono3_fix1//test20tig_AVDZ_AVQZfit/ DONE 28.83313210168647 1 1.0 0.0 -6.033619968093262e-07 6.480999997782178e-08 -6.060879940150699e-07 7.311700001011445e-08
shell4_X-3_Y4_Z-2_mono3_fix1//test20tig_AVDZ_AVQZfit/ DONE 28.83313210168647 1 1.0 0.0 -6.033619968093262e-07 6.480999997782178e-08 -6.060879940150699e-07 7.311700001011445e-08
shell4_X4_Y1_Z-3_mono2_fix1//test20tig_AVDZ_AVQZfit/ DONE 28.83313210168647 1 1.0 0.0 -6.033619968093262e-07 6.480999997782178e-08 -6.060879940150699e-07 7.311700001011445e-08
shell4_X4_Y-2_Z-3_mono2_fix1//test20tig_AVDZ_AVQZfit/ DONE 28.83313210168647 1 1.0 0.0 -6.033619968093262e-07 6.480999997782178e-08 -6.060879940150699e-07 7.311700001011445e-08
shell4_X3_Y-2_Z4_mono3_fix1//test20tig_AVDZ_AVQZfit/ DONE 28.83509329757991 1 1.0 0.0 -1.85732300650443e-06 1.8737600004925525e-07 -1.8652139956998326e-06 2.1201799996206638e-07
shell4_X-2_Y4_Z3_mono2_fix1//test20tig_AVDZ_AVQZfit/ DONE 28.83509329757991 1 1.0 0.0 -1.85732300650443e-06 1.8737600004925525e-07 -1.8652139956998326e-06 2.1201799996206638e-07
shell4_X4_Y3_Z-2_mono1_fix1//test20tig_AVDZ_AVQZfit/ DONE 28.83509329757991 1 1.0 0.0 -1.85732300650443e-06 1.8737600004925525e-07 -1.8652139956998326e-06 2.1201799996206638e-07
shell4_X1_Y4_Z3_mono2_fix1//test20tig_AVDZ_AVQZfit/ DONE 28.888258913226117 1 1.0 0.0 -3.4924399017199903e-07 5.401100000579362e-08 -3.4939998982963516e-07 6.061200000240241e-08
shell4_X3_Y1_Z4_mono3_fix1//test20tig_AVDZ_AVQZfit/ DONE 28.888258913226117 1 1.0 0.0 -3.4924399017199903e-07 5.401100000579362e-08 -3.4939998982963516e-07 6.061200000240241e-08
shell4_X4_Y3_Z1_mono1_fix1//test20tig_AVDZ_AVQZfit/ DONE 28.888258913226117 1 1.0 0.0 -3.4924399017199903e-07 5.401100000579362e-08 -3.4939998982963516e-07 6.061200000240241e-08
shell4_X3_Y4_Z1_mono3_fix1//test20tig_AVDZ_AVQZfit/ DONE 28.941364442432192 1 1.0 0.0 2.728135001461851e-06 -2.856860000233219e-07 2.7382260014974236e-06 -3.2279699999082645e-07
shell4_X1_Y3_Z4_mono1_fix1//test20tig_AVDZ_AVQZfit/ DONE 28.941364442432192 1 1.0 0.0 2.728135001461851e-06 -2.856860000233219e-07 2.7382260014974236e-06 -3.2279699999082645e-07
shell4_X-2_Y3_Z4_mono1_fix1//test20tig_AVDZ_AVQZfit/ DONE 28.941364442432192 1 1.0 0.0 2.728135001461851e-06 -2.856860000233219e-07 2.7382260014974236e-06 -3.2279699999082645e-07
shell4_X3_Y4_Z-2_mono3_fix1//test20tig_AVDZ_AVQZfit/ DONE 28.941364442432192 1 1.0 0.0 2.728135001461851e-06 -2.856860000233219e-07 2.7382260014974236e-06 -3.2279699999082645e-07
shell4_X4_Y-2_Z3_mono2_fix1//test20tig_AVDZ_AVQZfit/ DONE 28.941364442432192 1 1.0 0.0 2.728135001461851e-06 -2.856860000233219e-07 2.7382260014974236e-06 -3.2279699999082645e-07
shell4_X4_Y1_Z3_mono2_fix1//test20tig_AVDZ_AVQZfit/ DONE 28.941364442432192 1 1.0 0.0 2.728135001461851e-06 -2.856860000233219e-07 2.7382260014974236e-06 -3.2279699999082645e-07
shell4_X0_Y4_Z-4_mono0_fix1//test20tig_AVDZ_AVQZfit/ DONE 29.03432949202007 1 1.0 0.0 2.3264959949642616e-06 -2.1393900001553945e-07 2.33741500466067e-06 -2.426469999650127e-07
shell4_X4_Y0_Z-4_mono0_fix1//test20tig_AVDZ_AVQZfit/ DONE 29.03432949202007 1 1.0 0.0 2.3264959949642616e-06 -2.1393900001553945e-07 2.33741500466067e-06 -2.426469999650127e-07
shell4_X-4_Y4_Z0_mono0_fix1//test20tig_AVDZ_AVQZfit/ DONE 29.03432949202007 1 1.0 0.0 2.3264959949642616e-06 -2.1393900001553945e-07 2.33741500466067e-06 -2.426469999650127e-07
shell4_X-4_Y0_Z4_mono0_fix1//test20tig_AVDZ_AVQZfit/ DONE 29.03432949202007 1 1.0 0.0 2.3264959949642616e-06 -2.1393900001553945e-07 2.33741500466067e-06 -2.426469999650127e-07
shell4_X4_Y-4_Z0_mono0_fix1//test20tig_AVDZ_AVQZfit/ DONE 29.03432949202007 1 1.0 0.0 2.3264959949642616e-06 -2.1393900001553945e-07 2.33741500466067e-06 -2.426469999650127e-07
shell4_X0_Y-4_Z4_mono0_fix1//test20tig_AVDZ_AVQZfit/ DONE 29.03432949202007 1 1.0 0.0 2.3264959949642616e-06 -2.1393900001553945e-07 2.33741500466067e-06 -2.426469999650127e-07
shell4_X0_Y-4_Z-4_mono0_fix1//test20tig_AVDZ_AVQZfit/ DONE 29.041130968238257 1 1.0 0.0 -2.3134889985954032e-06 2.0941099998506019e-07 -2.32537799149668e-06 2.379649999828537e-07
shell4_X4_Y0_Z4_mono0_fix1//test20tig_AVDZ_AVQZfit/ DONE 29.041130968238257 1 1.0 0.0 -2.3134889985954032e-06 2.0941099998506019e-07 -2.32537799149668e-06 2.379649999828537e-07
shell4_X0_Y4_Z4_mono0_fix1//test20tig_AVDZ_AVQZfit/ DONE 29.041130968238257 1 1.0 0.0 -2.3134889985954032e-06 2.0941099998506019e-07 -2.32537799149668e-06 2.379649999828537e-07
shell4_X-4_Y0_Z-4_mono0_fix1//test20tig_AVDZ_AVQZfit/ DONE 29.041130968238257 1 1.0 0.0 -2.3134889985954032e-06 2.0941099998506019e-07 -2.32537799149668e-06 2.379649999828537e-07
shell4_X-4_Y-4_Z0_mono0_fix1//test20tig_AVDZ_AVQZfit/ DONE 29.041130968238257 1 1.0 0.0 -2.3134889985954032e-06 2.0941099998506019e-07 -2.32537799149668e-06 2.379649999828537e-07
shell4_X4_Y4_Z0_mono0_fix1//test20tig_AVDZ_AVQZfit/ DONE 29.041130968238257 1 1.0 0.0 -2.3134889985954032e-06 2.0941099998506019e-07 -2.32537799149668e-06 2.379649999828537e-07
shell4_X0_Y-4_Z4_mono3_fix1//test20tig_AVDZ_AVQZfit/ DONE 29.204751531724245 1 1.0 0.0 -1.750225997909638e-06 1.3054600001005667e-07 -1.7619579963934484e-06 1.4926900002154575e-07
shell4_X4_Y0_Z-4_mono1_fix1//test20tig_AVDZ_AVQZfit/ DONE 29.204751531724245 1 1.0 0.0 -1.750225997909638e-06 1.3054600001005667e-07 -1.7619579963934484e-06 1.4926900002154575e-07
shell4_X-4_Y4_Z0_mono2_fix1//test20tig_AVDZ_AVQZfit/ DONE 29.204751531724245 1 1.0 0.0 -1.750225997909638e-06 1.3054600001005667e-07 -1.7619579963934484e-06 1.4926900002154575e-07
shell4_X0_Y3_Z4_mono3_fix1//test20tig_AVDZ_AVQZfit/ DONE 29.322703144020313 1 1.0 0.0 -9.14615000624508e-07 1.056499999707583e-07 -9.165929952814622e-07 1.1978700004133813e-07
shell4_X4_Y0_Z3_mono1_fix1//test20tig_AVDZ_AVQZfit/ DONE 29.322703144020313 1 1.0 0.0 -9.14615000624508e-07 1.056499999707583e-07 -9.165929952814622e-07 1.1978700004133813e-07
shell4_X3_Y4_Z0_mono2_fix1//test20tig_AVDZ_AVQZfit/ DONE 29.322703144020313 1 1.0 0.0 -9.14615000624508e-07 1.056499999707583e-07 -9.165929952814622e-07 1.1978700004133813e-07
shell4_X4_Y-4_Z0_mono2_fix1//test20tig_AVDZ_AVQZfit/ DONE 29.33947807993971 1 1.0 0.0 8.61979927435641e-08 5.700000027530905e-09 8.826300756936689e-08 6.549999986837918e-09
shell4_X0_Y4_Z3_mono3_fix1//test20tig_AVDZ_AVQZfit/ DONE 29.33947807993971 1 1.0 0.0 8.61979927435641e-08 5.700000027530905e-09 8.826300756936689e-08 6.549999986837918e-09
shell4_X4_Y3_Z0_mono2_fix1//test20tig_AVDZ_AVQZfit/ DONE 29.33947807993971 1 1.0 0.0 8.61979927435641e-08 5.700000027530905e-09 8.826300756936689e-08 6.549999986837918e-09
shell4_X0_Y4_Z-4_mono3_fix1//test20tig_AVDZ_AVQZfit/ DONE 29.33947807993971 1 1.0 0.0 8.61979927435641e-08 5.700000027530905e-09 8.826300756936689e-08 6.549999986837918e-09
shell4_X3_Y0_Z4_mono1_fix1//test20tig_AVDZ_AVQZfit/ DONE 29.33947807993971 1 1.0 0.0 8.61979927435641e-08 5.700000027530905e-09 8.826300756936689e-08 6.549999986837918e-09
shell4_X-4_Y0_Z4_mono1_fix1//test20tig_AVDZ_AVQZfit/ DONE 29.33947807993971 1 1.0 0.0 8.61979927435641e-08 5.700000027530905e-09 8.826300756936689e-08 6.549999986837918e-09
shell4_X1_Y-4_Z4_mono0_fix1//test20tig_AVDZ_AVQZfit/ DONE 29.484237990677574 1 1.0 0.0 2.146343007325413e-06 -1.979559999809588e-07 2.1565500034625984e-06 -2.243919999811439e-07
shell4_X4_Y1_Z-4_mono0_fix1//test20tig_AVDZ_AVQZfit/ DONE 29.484237990677574 1 1.0 0.0 2.146343007325413e-06 -1.979559999809588e-07 2.1565500034625984e-06 -2.243919999811439e-07
shell4_X4_Y-4_Z-1_mono0_fix1//test20tig_AVDZ_AVQZfit/ DONE 29.484237990677574 1 1.0 0.0 2.146343007325413e-06 -1.979559999809588e-07 2.1565500034625984e-06 -2.243919999811439e-07
shell4_X-1_Y4_Z-4_mono0_fix1//test20tig_AVDZ_AVQZfit/ DONE 29.484237990677574 1 1.0 0.0 2.146343007325413e-06 -1.979559999809588e-07 2.1565500034625984e-06 -2.243919999811439e-07
shell4_X-4_Y-1_Z4_mono0_fix1//test20tig_AVDZ_AVQZfit/ DONE 29.484237990677574 1 1.0 0.0 2.146343007325413e-06 -1.979559999809588e-07 2.1565500034625984e-06 -2.243919999811439e-07
shell4_X-4_Y4_Z1_mono0_fix1//test20tig_AVDZ_AVQZfit/ DONE 29.484237990677574 1 1.0 0.0 2.146343007325413e-06 -1.979559999809588e-07 2.1565500034625984e-06 -2.243919999811439e-07
shell4_X1_Y4_Z-4_mono0_fix1//test20tig_AVDZ_AVQZfit/ DONE 29.484238415185217 1 1.0 0.0 2.155347004872965e-06 -1.983689999485172e-07 2.1652889969914213e-06 -2.2505799998628895e-07
shell4_X4_Y-1_Z-4_mono0_fix1//test20tig_AVDZ_AVQZfit/ DONE 29.484238415185217 1 1.0 0.0 2.155347004872965e-06 -1.983689999485172e-07 2.1652889969914213e-06 -2.2505799998628895e-07
shell4_X-1_Y-4_Z4_mono0_fix1//test20tig_AVDZ_AVQZfit/ DONE 29.484238415185217 1 1.0 0.0 2.155347004872965e-06 -1.983689999485172e-07 2.1652889969914213e-06 -2.2505799998628895e-07
shell4_X-4_Y1_Z4_mono0_fix1//test20tig_AVDZ_AVQZfit/ DONE 29.484238415185217 1 1.0 0.0 2.155347004872965e-06 -1.983689999485172e-07 2.1652889969914213e-06 -2.2505799998628895e-07
shell4_X-4_Y4_Z-1_mono0_fix1//test20tig_AVDZ_AVQZfit/ DONE 29.484238415185217 1 1.0 0.0 2.155347004872965e-06 -1.983689999485172e-07 2.1652889969914213e-06 -2.2505799998628895e-07
shell4_X4_Y-4_Z1_mono0_fix1//test20tig_AVDZ_AVQZfit/ DONE 29.484238415185217 1 1.0 0.0 2.155347004872965e-06 -1.983689999485172e-07 2.1652889969914213e-06 -2.2505799998628895e-07
shell4_X-1_Y4_Z4_mono0_fix1//test20tig_AVDZ_AVQZfit/ DONE 29.489110970891076 1 1.0 0.0 -1.0976700011156026e-06 9.459799993338791e-08 -1.103555000270262e-06 1.0797100000181636e-07
shell4_X-4_Y1_Z-4_mono0_fix1//test20tig_AVDZ_AVQZfit/ DONE 29.489110970891076 1 1.0 0.0 -1.0976700011156026e-06 9.459799993338791e-08 -1.103555000270262e-06 1.0797100000181636e-07
shell4_X4_Y4_Z-1_mono0_fix1//test20tig_AVDZ_AVQZfit/ DONE 29.489110970891076 1 1.0 0.0 -1.0976700011156026e-06 9.459799993338791e-08 -1.103555000270262e-06 1.0797100000181636e-07
shell4_X1_Y-4_Z-4_mono0_fix1//test20tig_AVDZ_AVQZfit/ DONE 29.489110970891076 1 1.0 0.0 -1.0976700011156026e-06 9.459799993338791e-08 -1.103555000270262e-06 1.0797100000181636e-07
shell4_X4_Y-1_Z4_mono0_fix1//test20tig_AVDZ_AVQZfit/ DONE 29.489110970891076 1 1.0 0.0 -1.0976700011156026e-06 9.459799993338791e-08 -1.103555000270262e-06 1.0797100000181636e-07
shell4_X-4_Y-4_Z1_mono0_fix1//test20tig_AVDZ_AVQZfit/ DONE 29.489110970891076 1 1.0 0.0 -1.0976700011156026e-06 9.459799993338791e-08 -1.103555000270262e-06 1.0797100000181636e-07
shell4_X1_Y4_Z4_mono0_fix1//test20tig_AVDZ_AVQZfit/ DONE 29.492353977341395 1 1.0 0.0 -3.1728639910966194e-06 2.9439900001149155e-07 -3.1889640013105236e-06 3.334639999963418e-07
shell4_X-4_Y-1_Z-4_mono0_fix1//test20tig_AVDZ_AVQZfit/ DONE 29.492353977341395 1 1.0 0.0 -3.1728639910966194e-06 2.9439900001149155e-07 -3.1889640013105236e-06 3.334639999963418e-07
shell4_X-1_Y-4_Z-4_mono0_fix1//test20tig_AVDZ_AVQZfit/ DONE 29.492353977341395 1 1.0 0.0 -3.1728639910966194e-06 2.9439900001149155e-07 -3.1889640013105236e-06 3.334639999963418e-07
shell4_X-4_Y-4_Z-1_mono0_fix1//test20tig_AVDZ_AVQZfit/ DONE 29.492353977341395 1 1.0 0.0 -3.1728639910966194e-06 2.9439900001149155e-07 -3.1889640013105236e-06 3.334639999963418e-07
shell4_X4_Y4_Z1_mono0_fix1//test20tig_AVDZ_AVQZfit/ DONE 29.492353977341395 1 1.0 0.0 -3.1728639910966194e-06 2.9439900001149155e-07 -3.1889640013105236e-06 3.334639999963418e-07
shell4_X4_Y1_Z4_mono0_fix1//test20tig_AVDZ_AVQZfit/ DONE 29.492353977341395 1 1.0 0.0 -3.1728639910966194e-06 2.9439900001149155e-07 -3.1889640013105236e-06 3.334639999963418e-07
shell4_X-3_Y-4_Z3_mono3_fix1//test20tig_AVDZ_AVQZfit/ DONE 29.60429940209013 1 1.0 0.0 1.1103540060730666e-06 -1.1334100002979852e-07 1.1139740010435162e-06 -1.2839200000391848e-07
shell4_X3_Y-3_Z-4_mono1_fix1//test20tig_AVDZ_AVQZfit/ DONE 29.60429940209013 1 1.0 0.0 1.1103540060730666e-06 -1.1334100002979852e-07 1.1139740010435162e-06 -1.2839200000391848e-07
shell4_X-3_Y-4_Z-4_mono3_fix1//test20tig_AVDZ_AVQZfit/ DONE 29.60429940209013 1 1.0 0.0 1.1103540060730666e-06 -1.1334100002979852e-07 1.1139740010435162e-06 -1.2839200000391848e-07
shell4_X-4_Y3_Z-3_mono2_fix1//test20tig_AVDZ_AVQZfit/ DONE 29.60429940209013 1 1.0 0.0 1.1103540060730666e-06 -1.1334100002979852e-07 1.1139740010435162e-06 -1.2839200000391848e-07
shell4_X-4_Y-3_Z-4_mono1_fix1//test20tig_AVDZ_AVQZfit/ DONE 29.60429940209013 1 1.0 0.0 1.1103540060730666e-06 -1.1334100002979852e-07 1.1139740010435162e-06 -1.2839200000391848e-07
shell4_X-4_Y-4_Z-3_mono2_fix1//test20tig_AVDZ_AVQZfit/ DONE 29.60429940209013 1 1.0 0.0 1.1103540060730666e-06 -1.1334100002979852e-07 1.1139740010435162e-06 -1.2839200000391848e-07
shell4_X-1_Y-4_Z4_mono3_fix1//test20tig_AVDZ_AVQZfit/ DONE 29.63608505727512 1 1.0 0.0 -1.159596990873979e-06 7.536600005186855e-08 -1.16880099909622e-06 8.651199998044312e-08
shell4_X-4_Y4_Z-1_mono2_fix1//test20tig_AVDZ_AVQZfit/ DONE 29.63608505727512 1 1.0 0.0 -1.159596990873979e-06 7.536600005186855e-08 -1.16880099909622e-06 8.651199998044312e-08
shell4_X4_Y-1_Z-4_mono1_fix1//test20tig_AVDZ_AVQZfit/ DONE 29.63608505727512 1 1.0 0.0 -1.159596990873979e-06 7.536600005186855e-08 -1.16880099909622e-06 8.651199998044312e-08
shell4_X1_Y-4_Z4_mono3_fix1//test20tig_AVDZ_AVQZfit/ DONE 29.66787483885665 1 1.0 0.0 -1.9336550067805547e-06 1.5696200000858695e-07 -1.9453049944218037e-06 1.7886400002775638e-07
shell4_X4_Y1_Z-4_mono1_fix1//test20tig_AVDZ_AVQZfit/ DONE 29.66787483885665 1 1.0 0.0 -1.9336550067805547e-06 1.5696200000858695e-07 -1.9453049944218037e-06 1.7886400002775638e-07
shell4_X-4_Y4_Z1_mono2_fix1//test20tig_AVDZ_AVQZfit/ DONE 29.66787483885665 1 1.0 0.0 -1.9336550067805547e-06 1.5696200000858695e-07 -1.9453049944218037e-06 1.7886400002775638e-07
shell4_X3_Y3_Z-4_mono1_fix1//test20tig_AVDZ_AVQZfit/ DONE 29.699733700892033 1 1.0 0.0 -1.5255349978815502e-06 1.3718299995968408e-07 -1.533572010714579e-06 1.5594300001309236e-07
shell4_X3_Y-4_Z-4_mono3_fix1//test20tig_AVDZ_AVQZfit/ DONE 29.699733700892033 1 1.0 0.0 -1.5255349978815502e-06 1.3718299995968408e-07 -1.533572010714579e-06 1.5594300001309236e-07
shell4_X-4_Y3_Z3_mono2_fix1//test20tig_AVDZ_AVQZfit/ DONE 29.699733700892033 1 1.0 0.0 -1.5255349978815502e-06 1.3718299995968408e-07 -1.533572010714579e-06 1.5594300001309236e-07
shell4_X-4_Y-4_Z3_mono2_fix1//test20tig_AVDZ_AVQZfit/ DONE 29.699733700892033 1 1.0 0.0 -1.5255349978815502e-06 1.3718299995968408e-07 -1.533572010714579e-06 1.5594300001309236e-07
shell4_X3_Y-4_Z3_mono3_fix1//test20tig_AVDZ_AVQZfit/ DONE 29.699733700892033 1 1.0 0.0 -1.5255349978815502e-06 1.3718299995968408e-07 -1.533572010714579e-06 1.5594300001309236e-07
shell4_X-4_Y3_Z-4_mono1_fix1//test20tig_AVDZ_AVQZfit/ DONE 29.699733700892033 1 1.0 0.0 -1.5255349978815502e-06 1.3718299995968408e-07 -1.533572010714579e-06 1.5594300001309236e-07
shell4_X-3_Y3_Z-4_mono3_fix1//test20tig_AVDZ_AVQZfit/ DONE 29.71633929687746 1 1.0 0.0 -1.4092939935039794e-06 1.334940000763396e-07 -1.415806998750213e-06 1.5174699999342955e-07
shell4_X3_Y-4_Z-3_mono2_fix1//test20tig_AVDZ_AVQZfit/ DONE 29.71633929687746 1 1.0 0.0 -1.4092939935039794e-06 1.334940000763396e-07 -1.415806998750213e-06 1.5174699999342955e-07
shell4_X-4_Y-3_Z3_mono1_fix1//test20tig_AVDZ_AVQZfit/ DONE 29.71633929687746 1 1.0 0.0 -1.4092939935039794e-06 1.334940000763396e-07 -1.415806998750213e-06 1.5174699999342955e-07
shell4_X3_Y4_Z-1_mono2_fix1//test20tig_AVDZ_AVQZfit/ DONE 29.750918966122477 1 1.0 0.0 -1.3069610105276297e-06 1.38129000015752e-07 -1.3112739907228388e-06 1.566190000468204e-07
shell4_X-1_Y3_Z4_mono3_fix1//test20tig_AVDZ_AVQZfit/ DONE 29.750918966122477 1 1.0 0.0 -1.3069610105276297e-06 1.38129000015752e-07 -1.3112739907228388e-06 1.566190000468204e-07
shell4_X4_Y-1_Z3_mono1_fix1//test20tig_AVDZ_AVQZfit/ DONE 29.750918966122477 1 1.0 0.0 -1.3069610105276297e-06 1.38129000015752e-07 -1.3112739907228388e-06 1.566190000468204e-07
shell4_X-4_Y-1_Z4_mono1_fix1//test20tig_AVDZ_AVQZfit/ DONE 29.7672371666929 1 1.0 0.0 -4.2749000073172283e-07 5.4621000000754094e-08 -4.278959977455088e-07 6.189800003109092e-08
shell4_X4_Y-4_Z-1_mono2_fix1//test20tig_AVDZ_AVQZfit/ DONE 29.7672371666929 1 1.0 0.0 -4.2749000073172283e-07 5.4621000000754094e-08 -4.278959977455088e-07 6.189800003109092e-08
shell4_X-1_Y4_Z3_mono3_fix1//test20tig_AVDZ_AVQZfit/ DONE 29.7672371666929 1 1.0 0.0 -4.2749000073172283e-07 5.4621000000754094e-08 -4.278959977455088e-07 6.189800003109092e-08
shell4_X-1_Y4_Z-4_mono3_fix1//test20tig_AVDZ_AVQZfit/ DONE 29.7672371666929 1 1.0 0.0 -4.2749000073172283e-07 5.4621000000754094e-08 -4.278959977455088e-07 6.189800003109092e-08
shell4_X3_Y-1_Z4_mono1_fix1//test20tig_AVDZ_AVQZfit/ DONE 29.7672371666929 1 1.0 0.0 -4.2749000073172283e-07 5.4621000000754094e-08 -4.278959977455088e-07 6.189800003109092e-08
shell4_X4_Y3_Z-1_mono2_fix1//test20tig_AVDZ_AVQZfit/ DONE 29.7672371666929 1 1.0 0.0 -4.2749000073172283e-07 5.4621000000754094e-08 -4.278959977455088e-07 6.189800003109092e-08
shell4_X1_Y3_Z4_mono3_fix1//test20tig_AVDZ_AVQZfit/ DONE 29.785356248337866 1 1.0 0.0 -3.5870898784651217e-07 5.158099997126797e-08 -3.584350025676031e-07 5.839900002468923e-08
shell4_X3_Y4_Z1_mono2_fix1//test20tig_AVDZ_AVQZfit/ DONE 29.785356248337866 1 1.0 0.0 -3.5870898784651217e-07 5.158099997126797e-08 -3.584350025676031e-07 5.839900002468923e-08
shell4_X4_Y1_Z3_mono1_fix1//test20tig_AVDZ_AVQZfit/ DONE 29.785356248337866 1 1.0 0.0 -3.5870898784651217e-07 5.158099997126797e-08 -3.584350025676031e-07 5.839900002468923e-08
shell4_X1_Y4_Z3_mono3_fix1//test20tig_AVDZ_AVQZfit/ DONE 29.80208391072583 1 1.0 0.0 6.172030069251377e-07 -5.0045999955283804e-08 6.21139001566462e-07 -5.640699998754606e-08
shell4_X1_Y4_Z-4_mono3_fix1//test20tig_AVDZ_AVQZfit/ DONE 29.80208391072583 1 1.0 0.0 6.172030069251377e-07 -5.0045999955283804e-08 6.21139001566462e-07 -5.640699998754606e-08
shell4_X-4_Y1_Z4_mono1_fix1//test20tig_AVDZ_AVQZfit/ DONE 29.80208391072583 1 1.0 0.0 6.172030069251377e-07 -5.0045999955283804e-08 6.21139001566462e-07 -5.640699998754606e-08
shell4_X4_Y-4_Z1_mono2_fix1//test20tig_AVDZ_AVQZfit/ DONE 29.80208391072583 1 1.0 0.0 6.172030069251377e-07 -5.0045999955283804e-08 6.21139001566462e-07 -5.640699998754606e-08
shell4_X3_Y1_Z4_mono1_fix1//test20tig_AVDZ_AVQZfit/ DONE 29.80208391072583 1 1.0 0.0 6.172030069251377e-07 -5.0045999955283804e-08 6.21139001566462e-07 -5.640699998754606e-08
shell4_X4_Y3_Z1_mono2_fix1//test20tig_AVDZ_AVQZfit/ DONE 29.80208391072583 1 1.0 0.0 6.172030069251377e-07 -5.0045999955283804e-08 6.21139001566462e-07 -5.640699998754606e-08
shell4_X-4_Y3_Z3_mono1_fix1//test20tig_AVDZ_AVQZfit/ DONE 29.819715359758625 1 1.0 0.0 1.232890006974685e-06 -1.1668399996223044e-07 1.2384739989101945e-06 -1.3220599998087224e-07
shell4_X3_Y-4_Z3_mono2_fix1//test20tig_AVDZ_AVQZfit/ DONE 29.819715359758625 1 1.0 0.0 1.232890006974685e-06 -1.1668399996223044e-07 1.2384739989101945e-06 -1.3220599998087224e-07
shell4_X3_Y3_Z-4_mono3_fix1//test20tig_AVDZ_AVQZfit/ DONE 29.819715359758625 1 1.0 0.0 1.232890006974685e-06 -1.1668399996223044e-07 1.2384739989101945e-06 -1.3220599998087224e-07
shell4_X-3_Y-3_Z4_mono0_fix1//test20tig_AVDZ_AVQZfit/ DONE 29.927572397475082 1 1.0 0.0 1.863586000183659e-06 -1.7268699997741166e-07 1.8723030024148102e-06 -1.9575099999280532e-07
shell4_X-3_Y4_Z-3_mono0_fix1//test20tig_AVDZ_AVQZfit/ DONE 29.927572397475082 1 1.0 0.0 1.863586000183659e-06 -1.7268699997741166e-07 1.8723030024148102e-06 -1.9575099999280532e-07
shell4_X3_Y-4_Z3_mono0_fix1//test20tig_AVDZ_AVQZfit/ DONE 29.927572397475082 1 1.0 0.0 1.863586000183659e-06 -1.7268699997741166e-07 1.8723030024148102e-06 -1.9575099999280532e-07
shell4_X-4_Y3_Z3_mono0_fix1//test20tig_AVDZ_AVQZfit/ DONE 29.927572397475082 1 1.0 0.0 1.863586000183659e-06 -1.7268699997741166e-07 1.8723030024148102e-06 -1.9575099999280532e-07
shell4_X3_Y3_Z-4_mono0_fix1//test20tig_AVDZ_AVQZfit/ DONE 29.927572397475082 1 1.0 0.0 1.863586000183659e-06 -1.7268699997741166e-07 1.8723030024148102e-06 -1.9575099999280532e-07
shell4_X4_Y-3_Z-3_mono0_fix1//test20tig_AVDZ_AVQZfit/ DONE 29.927572397475082 1 1.0 0.0 1.863586000183659e-06 -1.7268699997741166e-07 1.8723030024148102e-06 -1.9575099999280532e-07
shell4_X-3_Y3_Z-4_mono0_fix1//test20tig_AVDZ_AVQZfit/ DONE 29.928737725518896 1 1.0 0.0 1.0929750047239395e-06 -1.0517299997570007e-07 1.0981050095892897e-06 -1.1861400001089706e-07
shell4_X-3_Y4_Z3_mono0_fix1//test20tig_AVDZ_AVQZfit/ DONE 29.928737725518896 1 1.0 0.0 1.0929750047239395e-06 -1.0517299997570007e-07 1.0981050095892897e-06 -1.1861400001089706e-07
shell4_X-4_Y-3_Z3_mono0_fix1//test20tig_AVDZ_AVQZfit/ DONE 29.928737725518896 1 1.0 0.0 1.0929750047239395e-06 -1.0517299997570007e-07 1.0981050095892897e-06 -1.1861400001089706e-07
shell4_X3_Y-3_Z4_mono0_fix1//test20tig_AVDZ_AVQZfit/ DONE 29.928737725518896 1 1.0 0.0 1.0929750047239395e-06 -1.0517299997570007e-07 1.0981050095892897e-06 -1.1861400001089706e-07
shell4_X3_Y-4_Z-3_mono0_fix1//test20tig_AVDZ_AVQZfit/ DONE 29.928737725518896 1 1.0 0.0 1.0929750047239395e-06 -1.0517299997570007e-07 1.0981050095892897e-06 -1.1861400001089706e-07
shell4_X4_Y3_Z-3_mono0_fix1//test20tig_AVDZ_AVQZfit/ DONE 29.928737725518896 1 1.0 0.0 1.0929750047239395e-06 -1.0517299997570007e-07 1.0981050095892897e-06 -1.1861400001089706e-07
shell4_X-3_Y3_Z4_mono0_fix1//test20tig_AVDZ_AVQZfit/ DONE 29.928738268072774 1 1.0 0.0 1.1039340037655165e-06 -1.055330000054866e-07 1.1087409959031902e-06 -1.1942800004494103e-07
shell4_X3_Y-3_Z-4_mono0_fix1//test20tig_AVDZ_AVQZfit/ DONE 29.928738268072774 1 1.0 0.0 1.1039340037655165e-06 -1.055330000054866e-07 1.1087409959031902e-06 -1.1942800004494103e-07
shell4_X-4_Y3_Z-3_mono0_fix1//test20tig_AVDZ_AVQZfit/ DONE 29.928738268072774 1 1.0 0.0 1.1039340037655165e-06 -1.055330000054866e-07 1.1087409959031902e-06 -1.1942800004494103e-07
shell4_X-3_Y-4_Z3_mono0_fix1//test20tig_AVDZ_AVQZfit/ DONE 29.928738268072774 1 1.0 0.0 1.1039340037655165e-06 -1.055330000054866e-07 1.1087409959031902e-06 -1.1942800004494103e-07
shell4_X3_Y4_Z-3_mono0_fix1//test20tig_AVDZ_AVQZfit/ DONE 29.928738268072774 1 1.0 0.0 1.1039340037655165e-06 -1.055330000054866e-07 1.1087409959031902e-06 -1.1942800004494103e-07
shell4_X4_Y-3_Z3_mono0_fix1//test20tig_AVDZ_AVQZfit/ DONE 29.928738268072774 1 1.0 0.0 1.1039340037655165e-06 -1.055330000054866e-07 1.1087409959031902e-06 -1.1942800004494103e-07
shell4_X-3_Y-3_Z-4_mono0_fix1//test20tig_AVDZ_AVQZfit/ DONE 29.936881519273022 1 1.0 0.0 -4.007554991858342e-06 3.785679999479541e-07 -4.027703994324838e-06 4.2826600002432436e-07
shell4_X4_Y3_Z3_mono0_fix1//test20tig_AVDZ_AVQZfit/ DONE 29.936881519273022 1 1.0 0.0 -4.007554991858342e-06 3.785679999479541e-07 -4.027703994324838e-06 4.2826600002432436e-07
shell4_X3_Y3_Z4_mono0_fix1//test20tig_AVDZ_AVQZfit/ DONE 29.936881519273022 1 1.0 0.0 -4.007554991858342e-06 3.785679999479541e-07 -4.027703994324838e-06 4.2826600002432436e-07
shell4_X-3_Y-4_Z-3_mono0_fix1//test20tig_AVDZ_AVQZfit/ DONE 29.936881519273022 1 1.0 0.0 -4.007554991858342e-06 3.785679999479541e-07 -4.027703994324838e-06 4.2826600002432436e-07
shell4_X3_Y4_Z3_mono0_fix1//test20tig_AVDZ_AVQZfit/ DONE 29.936881519273022 1 1.0 0.0 -4.007554991858342e-06 3.785679999479541e-07 -4.027703994324838e-06 4.2826600002432436e-07
shell4_X-4_Y-3_Z-3_mono0_fix1//test20tig_AVDZ_AVQZfit/ DONE 29.936881519273022 1 1.0 0.0 -4.007554991858342e-06 3.785679999479541e-07 -4.027703994324838e-06 4.2826600002432436e-07
shell4_X-4_Y2_Z-4_mono2_fix1//test20tig_AVDZ_AVQZfit/ DONE 30.02981760600479 1 1.0 0.0 2.5741230018638817e-06 -2.2280700001653386e-07 2.587822002908524e-06 -2.5309600001910404e-07
shell4_X-4_Y-4_Z-3_mono3_fix1//test20tig_AVDZ_AVQZfit/ DONE 30.02981760600479 1 1.0 0.0 2.5741230018638817e-06 -2.2280700001653386e-07 2.587822002908524e-06 -2.5309600001910404e-07
shell4_X-4_Y-3_Z-4_mono2_fix1//test20tig_AVDZ_AVQZfit/ DONE 30.02981760600479 1 1.0 0.0 2.5741230018638817e-06 -2.2280700001653386e-07 2.587822002908524e-06 -2.5309600001910404e-07
shell4_X-4_Y-4_Z2_mono3_fix1//test20tig_AVDZ_AVQZfit/ DONE 30.02981760600479 1 1.0 0.0 2.5741230018638817e-06 -2.2280700001653386e-07 2.587822002908524e-06 -2.5309600001910404e-07
shell4_X2_Y-4_Z-4_mono1_fix1//test20tig_AVDZ_AVQZfit/ DONE 30.02981760600479 1 1.0 0.0 2.5741230018638817e-06 -2.2280700001653386e-07 2.587822002908524e-06 -2.5309600001910404e-07
shell4_X-3_Y-4_Z-4_mono1_fix1//test20tig_AVDZ_AVQZfit/ DONE 30.02981760600479 1 1.0 0.0 2.5741230018638817e-06 -2.2280700001653386e-07 2.587822002908524e-06 -2.5309600001910404e-07
shell4_X-3_Y3_Z-4_mono2_fix1//test20tig_AVDZ_AVQZfit/ DONE 30.045466922296733 1 1.0 0.0 1.009742994995122e-06 -1.0321200000218411e-07 1.0125100047275737e-06 -1.1733200000474397e-07
shell4_X-4_Y-3_Z3_mono3_fix1//test20tig_AVDZ_AVQZfit/ DONE 30.045466922296733 1 1.0 0.0 1.009742994995122e-06 -1.0321200000218411e-07 1.0125100047275737e-06 -1.1733200000474397e-07
shell4_X-4_Y-4_Z-3_mono1_fix1//test20tig_AVDZ_AVQZfit/ DONE 30.045466922296733 1 1.0 0.0 1.009742994995122e-06 -1.0321200000218411e-07 1.0125100047275737e-06 -1.1733200000474397e-07
shell4_X-3_Y-4_Z-4_mono2_fix1//test20tig_AVDZ_AVQZfit/ DONE 30.045466922296733 1 1.0 0.0 1.009742994995122e-06 -1.0321200000218411e-07 1.0125100047275737e-06 -1.1733200000474397e-07
shell4_X-4_Y-3_Z-4_mono3_fix1//test20tig_AVDZ_AVQZfit/ DONE 30.045466922296733 1 1.0 0.0 1.009742994995122e-06 -1.0321200000218411e-07 1.0125100047275737e-06 -1.1733200000474397e-07
shell4_X3_Y-4_Z-3_mono1_fix1//test20tig_AVDZ_AVQZfit/ DONE 30.045466922296733 1 1.0 0.0 1.009742994995122e-06 -1.0321200000218411e-07 1.0125100047275737e-06 -1.1733200000474397e-07
shell4_X-4_Y2_Z-4_mono3_fix1//test20tig_AVDZ_AVQZfit/ DONE 30.123449822802698 1 1.0 0.0 -1.4286849889799669e-06 1.2131799997927573e-07 -1.4369880005915547e-06 1.3794600001171275e-07
shell4_X3_Y-4_Z2_mono1_fix1//test20tig_AVDZ_AVQZfit/ DONE 30.123449822802698 1 1.0 0.0 -1.4286849889799669e-06 1.2131799997927573e-07 -1.4369880005915547e-06 1.3794600001171275e-07
shell4_X-4_Y2_Z3_mono3_fix1//test20tig_AVDZ_AVQZfit/ DONE 30.123449822802698 1 1.0 0.0 -1.4286849889799669e-06 1.2131799997927573e-07 -1.4369880005915547e-06 1.3794600001171275e-07
shell4_X-4_Y-4_Z2_mono1_fix1//test20tig_AVDZ_AVQZfit/ DONE 30.123449822802698 1 1.0 0.0 -1.4286849889799669e-06 1.2131799997927573e-07 -1.4369880005915547e-06 1.3794600001171275e-07
shell4_X2_Y3_Z-4_mono2_fix1//test20tig_AVDZ_AVQZfit/ DONE 30.123449822802698 1 1.0 0.0 -1.4286849889799669e-06 1.2131799997927573e-07 -1.4369880005915547e-06 1.3794600001171275e-07
shell4_X2_Y-4_Z-4_mono2_fix1//test20tig_AVDZ_AVQZfit/ DONE 30.123449822802698 1 1.0 0.0 -1.4286849889799669e-06 1.2131799997927573e-07 -1.4369880005915547e-06 1.3794600001171275e-07
shell4_X2_Y-4_Z3_mono1_fix1//test20tig_AVDZ_AVQZfit/ DONE 30.138956667308648 1 1.0 0.0 -1.0745269918288614e-06 9.594099997789485e-08 -1.0803370003031887e-06 1.090590000252245e-07
shell4_X-3_Y-4_Z3_mono1_fix1//test20tig_AVDZ_AVQZfit/ DONE 30.138956667308648 1 1.0 0.0 -1.0745269918288614e-06 9.594099997789485e-08 -1.0803370003031887e-06 1.090590000252245e-07
shell4_X-4_Y3_Z-3_mono3_fix1//test20tig_AVDZ_AVQZfit/ DONE 30.138956667308648 1 1.0 0.0 -1.0745269918288614e-06 9.594099997789485e-08 -1.0803370003031887e-06 1.090590000252245e-07
shell4_X3_Y2_Z-4_mono2_fix1//test20tig_AVDZ_AVQZfit/ DONE 30.138956667308648 1 1.0 0.0 -1.0745269918288614e-06 9.594099997789485e-08 -1.0803370003031887e-06 1.090590000252245e-07
shell4_X3_Y-3_Z-4_mono2_fix1//test20tig_AVDZ_AVQZfit/ DONE 30.138956667308648 1 1.0 0.0 -1.0745269918288614e-06 9.594099997789485e-08 -1.0803370003031887e-06 1.090590000252245e-07
shell4_X-4_Y3_Z2_mono3_fix1//test20tig_AVDZ_AVQZfit/ DONE 30.138956667308648 1 1.0 0.0 -1.0745269918288614e-06 9.594099997789485e-08 -1.0803370003031887e-06 1.090590000252245e-07
shell4_X2_Y4_Z-4_mono1_fix1//test20tig_AVDZ_AVQZfit/ DONE 30.155420806839686 1 1.0 0.0 -9.780219940580537e-07 9.316200000331065e-08 -9.827460090150453e-07 1.0561799998476396e-07
shell4_X-3_Y4_Z-4_mono1_fix1//test20tig_AVDZ_AVQZfit/ DONE 30.155420806839686 1 1.0 0.0 -9.780219940580537e-07 9.316200000331065e-08 -9.827460090150453e-07 1.0561799998476396e-07
shell4_X-4_Y2_Z4_mono2_fix1//test20tig_AVDZ_AVQZfit/ DONE 30.155420806839686 1 1.0 0.0 -9.780219940580537e-07 9.316200000331065e-08 -9.827460090150453e-07 1.0561799998476396e-07
shell4_X4_Y-4_Z2_mono3_fix1//test20tig_AVDZ_AVQZfit/ DONE 30.155420806839686 1 1.0 0.0 -9.780219940580537e-07 9.316200000331065e-08 -9.827460090150453e-07 1.0561799998476396e-07
shell4_X4_Y-4_Z-3_mono3_fix1//test20tig_AVDZ_AVQZfit/ DONE 30.155420806839686 1 1.0 0.0 -9.780219940580537e-07 9.316200000331065e-08 -9.827460090150453e-07 1.0561799998476396e-07
shell4_X-4_Y-3_Z4_mono2_fix1//test20tig_AVDZ_AVQZfit/ DONE 30.155420806839686 1 1.0 0.0 -9.780219940580537e-07 9.316200000331065e-08 -9.827460090150453e-07 1.0561799998476396e-07
shell4_X3_Y4_Z-3_mono1_fix1//test20tig_AVDZ_AVQZfit/ DONE 30.17242869461554 1 1.0 0.0 -1.107666996347234e-06 1.1174100000843623e-07 -1.1123640035748394e-06 1.265940000050314e-07
shell4_X-3_Y-4_Z4_mono2_fix1//test20tig_AVDZ_AVQZfit/ DONE 30.17242869461554 1 1.0 0.0 -1.107666996347234e-06 1.1174100000843623e-07 -1.1123640035748394e-06 1.265940000050314e-07
shell4_X4_Y-3_Z3_mono3_fix1//test20tig_AVDZ_AVQZfit/ DONE 30.17242869461554 1 1.0 0.0 -1.107666996347234e-06 1.1174100000843623e-07 -1.1123640035748394e-06 1.265940000050314e-07
shell4_X4_Y-3_Z-4_mono3_fix1//test20tig_AVDZ_AVQZfit/ DONE 30.17242869461554 1 1.0 0.0 -1.107666996347234e-06 1.1174100000843623e-07 -1.1123640035748394e-06 1.265940000050314e-07
shell4_X-4_Y4_Z-3_mono1_fix1//test20tig_AVDZ_AVQZfit/ DONE 30.17242869461554 1 1.0 0.0 -1.107666996347234e-06 1.1174100000843623e-07 -1.1123640035748394e-06 1.265940000050314e-07
shell4_X-3_Y3_Z4_mono2_fix1//test20tig_AVDZ_AVQZfit/ DONE 30.17242869461554 1 1.0 0.0 -1.107666996347234e-06 1.1174100000843623e-07 -1.1123640035748394e-06 1.265940000050314e-07
shell4_X2_Y3_Z4_mono2_fix1//test20tig_AVDZ_AVQZfit/ DONE 30.257649643502045 1 1.0 0.0 1.1466989988662135e-06 -1.073309999766181e-07 1.1516790081600448e-06 -1.2189900000514342e-07
shell4_X2_Y-4_Z4_mono2_fix1//test20tig_AVDZ_AVQZfit/ DONE 30.257649643502045 1 1.0 0.0 1.1466989988662135e-06 -1.073309999766181e-07 1.1516790081600448e-06 -1.2189900000514342e-07
shell4_X3_Y4_Z2_mono1_fix1//test20tig_AVDZ_AVQZfit/ DONE 30.257649643502045 1 1.0 0.0 1.1466989988662135e-06 -1.073309999766181e-07 1.1516790081600448e-06 -1.2189900000514342e-07
shell4_X4_Y2_Z3_mono3_fix1//test20tig_AVDZ_AVQZfit/ DONE 30.257649643502045 1 1.0 0.0 1.1466989988662135e-06 -1.073309999766181e-07 1.1516790081600448e-06 -1.2189900000514342e-07
shell4_X4_Y2_Z-4_mono3_fix1//test20tig_AVDZ_AVQZfit/ DONE 30.257649643502045 1 1.0 0.0 1.1466989988662135e-06 -1.073309999766181e-07 1.1516790081600448e-06 -1.2189900000514342e-07
shell4_X-4_Y4_Z2_mono1_fix1//test20tig_AVDZ_AVQZfit/ DONE 30.257649643502045 1 1.0 0.0 1.1466989988662135e-06 -1.073309999766181e-07 1.1516790081600448e-06 -1.2189900000514342e-07
shell4_X3_Y2_Z4_mono2_fix1//test20tig_AVDZ_AVQZfit/ DONE 30.27469159001497 1 1.0 0.0 2.0192169998267673e-06 -2.0583600002233027e-07 2.0269140108553074e-06 -2.3301100002259822e-07
shell4_X3_Y-3_Z4_mono2_fix1//test20tig_AVDZ_AVQZfit/ DONE 30.27469159001497 1 1.0 0.0 2.0192169998267673e-06 -2.0583600002233027e-07 2.0269140108553074e-06 -2.3301100002259822e-07
shell4_X-3_Y4_Z3_mono1_fix1//test20tig_AVDZ_AVQZfit/ DONE 30.27469159001497 1 1.0 0.0 2.0192169998267673e-06 -2.0583600002233027e-07 2.0269140108553074e-06 -2.3301100002259822e-07
shell4_X4_Y3_Z2_mono3_fix1//test20tig_AVDZ_AVQZfit/ DONE 30.27469159001497 1 1.0 0.0 2.0192169998267673e-06 -2.0583600002233027e-07 2.0269140108553074e-06 -2.3301100002259822e-07
shell4_X4_Y3_Z-3_mono3_fix1//test20tig_AVDZ_AVQZfit/ DONE 30.27469159001497 1 1.0 0.0 2.0192169998267673e-06 -2.0583600002233027e-07 2.0269140108553074e-06 -2.3301100002259822e-07
shell4_X2_Y4_Z3_mono1_fix1//test20tig_AVDZ_AVQZfit/ DONE 30.27469159001497 1 1.0 0.0 2.0192169998267673e-06 -2.0583600002233027e-07 2.0269140108553074e-06 -2.3301100002259822e-07
shell4_X-3_Y-3_Z4_mono3_fix1//test20tig_AVDZ_AVQZfit/ DONE 30.49597461117857 1 1.0 0.0 -4.3496399371178995e-07 1.5284999987930092e-08 -4.4079599348378906e-07 1.7506000010714118e-08
shell4_X-3_Y4_Z-3_mono2_fix1//test20tig_AVDZ_AVQZfit/ DONE 30.49597461117857 1 1.0 0.0 -4.3496399371178995e-07 1.5284999987930092e-08 -4.4079599348378906e-07 1.7506000010714118e-08
shell4_X4_Y-3_Z-3_mono1_fix1//test20tig_AVDZ_AVQZfit/ DONE 30.49597461117857 1 1.0 0.0 -4.3496399371178995e-07 1.5284999987930092e-08 -4.4079599348378906e-07 1.7506000010714118e-08
shell4_X2_Y4_Z-3_mono2_fix1//test20tig_AVDZ_AVQZfit/ DONE 30.573905729220677 1 1.0 0.0 -1.8051659935736097e-06 1.6364000005042456e-07 -1.814469989369627e-06 1.8580899996401e-07
shell4_X-3_Y2_Z4_mono3_fix1//test20tig_AVDZ_AVQZfit/ DONE 30.573905729220677 1 1.0 0.0 -1.8051659935736097e-06 1.6364000005042456e-07 -1.814469989369627e-06 1.8580899996401e-07
shell4_X4_Y-3_Z2_mono1_fix1//test20tig_AVDZ_AVQZfit/ DONE 30.573905729220677 1 1.0 0.0 -1.8051659935736097e-06 1.6364000005042456e-07 -1.814469989369627e-06 1.8580899996401e-07
shell4_X3_Y-3_Z4_mono3_fix1//test20tig_AVDZ_AVQZfit/ DONE 30.589868313030752 1 1.0 0.0 -1.6817959931358928e-06 1.6001499997253532e-07 -1.6898060053449626e-06 1.8149600000683108e-07
shell4_X-3_Y4_Z3_mono2_fix1//test20tig_AVDZ_AVQZfit/ DONE 30.589868313030752 1 1.0 0.0 -1.6817959931358928e-06 1.6001499997253532e-07 -1.6898060053449626e-06 1.8149600000683108e-07
shell4_X4_Y3_Z-3_mono1_fix1//test20tig_AVDZ_AVQZfit/ DONE 30.589868313030752 1 1.0 0.0 -1.6817959931358928e-06 1.6001499997253532e-07 -1.6898060053449626e-06 1.8149600000683108e-07
shell4_X4_Y-3_Z-3_mono2_fix1//test20tig_AVDZ_AVQZfit/ DONE 30.60489498682349 1 1.0 0.0 -7.360370020137452e-07 7.536700002974683e-08 -7.39236000413257e-07 8.53290000046858e-08
shell4_X-3_Y-3_Z4_mono1_fix1//test20tig_AVDZ_AVQZfit/ DONE 30.60489498682349 1 1.0 0.0 -7.360370020137452e-07 7.536700002974683e-08 -7.39236000413257e-07 8.53290000046858e-08
shell4_X-3_Y4_Z2_mono3_fix1//test20tig_AVDZ_AVQZfit/ DONE 30.60489498682349 1 1.0 0.0 -7.360370020137452e-07 7.536700002974683e-08 -7.39236000413257e-07 8.53290000046858e-08
shell4_X-3_Y4_Z-3_mono3_fix1//test20tig_AVDZ_AVQZfit/ DONE 30.60489498682349 1 1.0 0.0 -7.360370020137452e-07 7.536700002974683e-08 -7.39236000413257e-07 8.53290000046858e-08
shell4_X2_Y-3_Z4_mono1_fix1//test20tig_AVDZ_AVQZfit/ DONE 30.60489498682349 1 1.0 0.0 -7.360370020137452e-07 7.536700002974683e-08 -7.39236000413257e-07 8.53290000046858e-08
shell4_X4_Y2_Z-3_mono2_fix1//test20tig_AVDZ_AVQZfit/ DONE 30.60489498682349 1 1.0 0.0 -7.360370020137452e-07 7.536700002974683e-08 -7.39236000413257e-07 8.53290000046858e-08
shell4_X2_Y4_Z3_mono2_fix1//test20tig_AVDZ_AVQZfit/ DONE 30.673000806205998 1 1.0 0.0 1.6812199987725762e-07 -2.9769999798645586e-09 1.6979400641048414e-07 -3.7289999976763966e-09
shell4_X3_Y2_Z4_mono3_fix1//test20tig_AVDZ_AVQZfit/ DONE 30.673000806205998 1 1.0 0.0 1.6812199987725762e-07 -2.9769999798645586e-09 1.6979400641048414e-07 -3.7289999976763966e-09
shell4_X4_Y3_Z2_mono1_fix1//test20tig_AVDZ_AVQZfit/ DONE 30.673000806205998 1 1.0 0.0 1.6812199987725762e-07 -2.9769999798645586e-09 1.6979400641048414e-07 -3.7289999976763966e-09
shell4_X2_Y3_Z4_mono1_fix1//test20tig_AVDZ_AVQZfit/ DONE 30.706212756776466 1 1.0 0.0 1.877152996598852e-06 -1.9042000004576565e-07 1.8845979923298728e-06 -2.1533699998133038e-07
shell4_X-3_Y3_Z4_mono1_fix1//test20tig_AVDZ_AVQZfit/ DONE 30.706212756776466 1 1.0 0.0 1.877152996598852e-06 -1.9042000004576565e-07 1.8845979923298728e-06 -2.1533699998133038e-07
shell4_X3_Y4_Z-3_mono3_fix1//test20tig_AVDZ_AVQZfit/ DONE 30.706212756776466 1 1.0 0.0 1.877152996598852e-06 -1.9042000004576565e-07 1.8845979923298728e-06 -2.1533699998133038e-07
shell4_X4_Y-3_Z3_mono2_fix1//test20tig_AVDZ_AVQZfit/ DONE 30.706212756776466 1 1.0 0.0 1.877152996598852e-06 -1.9042000004576565e-07 1.8845979923298728e-06 -2.1533699998133038e-07
shell4_X3_Y4_Z2_mono3_fix1//test20tig_AVDZ_AVQZfit/ DONE 30.706212756776466 1 1.0 0.0 1.877152996598852e-06 -1.9042000004576565e-07 1.8845979923298728e-06 -2.1533699998133038e-07
shell4_X4_Y2_Z3_mono2_fix1//test20tig_AVDZ_AVQZfit/ DONE 30.706212756776466 1 1.0 0.0 1.877152996598852e-06 -1.9042000004576565e-07 1.8845979923298728e-06 -2.1533699998133038e-07
shell4_X-2_Y4_Z-4_mono0_fix1//test20tig_AVDZ_AVQZfit/ DONE 30.794517871795378 1 1.0 0.0 1.7186149960934927e-06 -1.5931400010327224e-07 1.7267679979227069e-06 -1.805350000050332e-07
shell4_X4_Y-4_Z-2_mono0_fix1//test20tig_AVDZ_AVQZfit/ DONE 30.794517871795378 1 1.0 0.0 1.7186149960934927e-06 -1.5931400010327224e-07 1.7267679979227069e-06 -1.805350000050332e-07
shell4_X2_Y-4_Z4_mono0_fix1//test20tig_AVDZ_AVQZfit/ DONE 30.794517871795378 1 1.0 0.0 1.7186149960934927e-06 -1.5931400010327224e-07 1.7267679979227069e-06 -1.805350000050332e-07
shell4_X-4_Y-2_Z4_mono0_fix1//test20tig_AVDZ_AVQZfit/ DONE 30.794517871795378 1 1.0 0.0 1.7186149960934927e-06 -1.5931400010327224e-07 1.7267679979227069e-06 -1.805350000050332e-07
shell4_X4_Y2_Z-4_mono0_fix1//test20tig_AVDZ_AVQZfit/ DONE 30.794517871795378 1 1.0 0.0 1.7186149960934927e-06 -1.5931400010327224e-07 1.7267679979227069e-06 -1.805350000050332e-07
shell4_X-4_Y4_Z2_mono0_fix1//test20tig_AVDZ_AVQZfit/ DONE 30.794517871795378 1 1.0 0.0 1.7186149960934927e-06 -1.5931400010327224e-07 1.7267679979227069e-06 -1.805350000050332e-07
shell4_X-4_Y2_Z4_mono0_fix1//test20tig_AVDZ_AVQZfit/ DONE 30.794518374806763 1 1.0 0.0 1.7283389937006177e-06 -1.5961799998409631e-07 1.736207998703776e-06 -1.812550000090951e-07
shell4_X2_Y4_Z-4_mono0_fix1//test20tig_AVDZ_AVQZfit/ DONE 30.794518374806763 1 1.0 0.0 1.7283389937006177e-06 -1.5961799998409631e-07 1.736207998703776e-06 -1.812550000090951e-07
shell4_X-4_Y4_Z-2_mono0_fix1//test20tig_AVDZ_AVQZfit/ DONE 30.794518374806763 1 1.0 0.0 1.7283389937006177e-06 -1.5961799998409631e-07 1.736207998703776e-06 -1.812550000090951e-07
shell4_X-2_Y-4_Z4_mono0_fix1//test20tig_AVDZ_AVQZfit/ DONE 30.794518374806763 1 1.0 0.0 1.7283389937006177e-06 -1.5961799998409631e-07 1.736207998703776e-06 -1.812550000090951e-07
shell4_X4_Y-2_Z-4_mono0_fix1//test20tig_AVDZ_AVQZfit/ DONE 30.794518374806763 1 1.0 0.0 1.7283389937006177e-06 -1.5961799998409631e-07 1.736207998703776e-06 -1.812550000090951e-07
shell4_X4_Y-4_Z2_mono0_fix1//test20tig_AVDZ_AVQZfit/ DONE 30.794518374806763 1 1.0 0.0 1.7283389937006177e-06 -1.5961799998409631e-07 1.736207998703776e-06 -1.812550000090951e-07
shell4_X-2_Y4_Z4_mono0_fix1//test20tig_AVDZ_AVQZfit/ DONE 30.79736998476951 1 1.0 0.0 -2.7323004303525522e-08 -2.935000020798384e-09 -2.7907994137876813e-08 -2.8070000213098467e-09
shell4_X-4_Y-4_Z2_mono0_fix1//test20tig_AVDZ_AVQZfit/ DONE 30.79736998476951 1 1.0 0.0 -2.7323004303525522e-08 -2.935000020798384e-09 -2.7907994137876813e-08 -2.8070000213098467e-09
shell4_X4_Y4_Z-2_mono0_fix1//test20tig_AVDZ_AVQZfit/ DONE 30.79736998476951 1 1.0 0.0 -2.7323004303525522e-08 -2.935000020798384e-09 -2.7907994137876813e-08 -2.8070000213098467e-09
shell4_X2_Y-4_Z-4_mono0_fix1//test20tig_AVDZ_AVQZfit/ DONE 30.79736998476951 1 1.0 0.0 -2.7323004303525522e-08 -2.935000020798384e-09 -2.7907994137876813e-08 -2.8070000213098467e-09
shell4_X-4_Y2_Z-4_mono0_fix1//test20tig_AVDZ_AVQZfit/ DONE 30.79736998476951 1 1.0 0.0 -2.7323004303525522e-08 -2.935000020798384e-09 -2.7907994137876813e-08 -2.8070000213098467e-09
shell4_X4_Y-2_Z4_mono0_fix1//test20tig_AVDZ_AVQZfit/ DONE 30.79736998476951 1 1.0 0.0 -2.7323004303525522e-08 -2.935000020798384e-09 -2.7907994137876813e-08 -2.8070000213098467e-09
shell4_X4_Y2_Z4_mono0_fix1//test20tig_AVDZ_AVQZfit/ DONE 30.80306395583147 1 1.0 0.0 -3.3821519949128742e-06 3.1748099998951673e-07 -3.3992469994359453e-06 3.5935699999045667e-07
shell4_X-4_Y-4_Z-2_mono0_fix1//test20tig_AVDZ_AVQZfit/ DONE 30.80306395583147 1 1.0 0.0 -3.3821519949128742e-06 3.1748099998951673e-07 -3.3992469994359453e-06 3.5935699999045667e-07
shell4_X-2_Y-4_Z-4_mono0_fix1//test20tig_AVDZ_AVQZfit/ DONE 30.80306395583147 1 1.0 0.0 -3.3821519949128742e-06 3.1748099998951673e-07 -3.3992469994359453e-06 3.5935699999045667e-07
shell4_X2_Y4_Z4_mono0_fix1//test20tig_AVDZ_AVQZfit/ DONE 30.80306395583147 1 1.0 0.0 -3.3821519949128742e-06 3.1748099998951673e-07 -3.3992469994359453e-06 3.5935699999045667e-07
shell4_X-4_Y-2_Z-4_mono0_fix1//test20tig_AVDZ_AVQZfit/ DONE 30.80306395583147 1 1.0 0.0 -3.3821519949128742e-06 3.1748099998951673e-07 -3.3992469994359453e-06 3.5935699999045667e-07
shell4_X4_Y4_Z2_mono0_fix1//test20tig_AVDZ_AVQZfit/ DONE 30.80306395583147 1 1.0 0.0 -3.3821519949128742e-06 3.1748099998951673e-07 -3.3992469994359453e-06 3.5935699999045667e-07
shell4_X-4_Y4_Z-2_mono2_fix1//test20tig_AVDZ_AVQZfit/ DONE 30.924351252481657 1 1.0 0.0 -4.37540002451442e-07 1.6318000062298665e-08 -4.4276000465970355e-07 1.9091000030835303e-08
shell4_X-2_Y-4_Z4_mono3_fix1//test20tig_AVDZ_AVQZfit/ DONE 30.924351252481657 1 1.0 0.0 -4.37540002451442e-07 1.6318000062298665e-08 -4.4276000465970355e-07 1.9091000030835303e-08
shell4_X4_Y-2_Z-4_mono1_fix1//test20tig_AVDZ_AVQZfit/ DONE 30.924351252481657 1 1.0 0.0 -4.37540002451442e-07 1.6318000062298665e-08 -4.4276000465970355e-07 1.9091000030835303e-08
shell4_X-4_Y-1_Z4_mono3_fix1//test20tig_AVDZ_AVQZfit/ DONE 30.939496046745464 1 1.0 0.0 -9.590820013727352e-07 6.51170000143253e-08 -9.674710028662048e-07 7.381599997913213e-08
shell4_X4_Y-4_Z-1_mono1_fix1//test20tig_AVDZ_AVQZfit/ DONE 30.939496046745464 1 1.0 0.0 -9.590820013727352e-07 6.51170000143253e-08 -9.674710028662048e-07 7.381599997913213e-08
shell4_X-1_Y4_Z-4_mono2_fix1//test20tig_AVDZ_AVQZfit/ DONE 30.939496046745464 1 1.0 0.0 -9.590820013727352e-07 6.51170000143253e-08 -9.674710028662048e-07 7.381599997913213e-08
shell4_X0_Y4_Z-4_mono2_fix1//test20tig_AVDZ_AVQZfit/ DONE 30.954705378756188 1 1.0 0.0 -1.3461690002714022e-06 1.0344700007713925e-07 -1.3559069955704217e-06 1.1730000001874963e-07
shell4_X4_Y-4_Z0_mono1_fix1//test20tig_AVDZ_AVQZfit/ DONE 30.954705378756188 1 1.0 0.0 -1.3461690002714022e-06 1.0344700007713925e-07 -1.3559069955704217e-06 1.1730000001874963e-07
shell4_X-4_Y0_Z4_mono3_fix1//test20tig_AVDZ_AVQZfit/ DONE 30.954705378756188 1 1.0 0.0 -1.3461690002714022e-06 1.0344700007713925e-07 -1.3559069955704217e-06 1.1730000001874963e-07
shell4_X4_Y2_Z-4_mono1_fix1//test20tig_AVDZ_AVQZfit/ DONE 30.985481894298186 1 1.0 0.0 -1.7105350025303778e-06 1.4774800000116883e-07 -1.7200729942601356e-06 1.6825199999903617e-07
shell4_X2_Y-4_Z4_mono3_fix1//test20tig_AVDZ_AVQZfit/ DONE 30.985481894298186 1 1.0 0.0 -1.7105350025303778e-06 1.4774800000116883e-07 -1.7200729942601356e-06 1.6825199999903617e-07
shell4_X-4_Y4_Z2_mono2_fix1//test20tig_AVDZ_AVQZfit/ DONE 30.985481894298186 1 1.0 0.0 -1.7105350025303778e-06 1.4774800000116883e-07 -1.7200729942601356e-06 1.6825199999903617e-07
shell4_X-1_Y-4_Z4_mono1_fix1//test20tig_AVDZ_AVQZfit/ DONE 31.015263260517795 1 1.0 0.0 -5.699649960888564e-07 5.534999997225398e-08 -5.731579975076784e-07 6.247900000144746e-08
shell4_X4_Y0_Z-4_mono2_fix1//test20tig_AVDZ_AVQZfit/ DONE 31.015263260517795 1 1.0 0.0 -5.699649960888564e-07 5.534999997225398e-08 -5.731579975076784e-07 6.247900000144746e-08
shell4_X4_Y-1_Z-4_mono2_fix1//test20tig_AVDZ_AVQZfit/ DONE 31.015263260517795 1 1.0 0.0 -5.699649960888564e-07 5.534999997225398e-08 -5.731579975076784e-07 6.247900000144746e-08
shell4_X-4_Y4_Z0_mono3_fix1//test20tig_AVDZ_AVQZfit/ DONE 31.015263260517795 1 1.0 0.0 -5.699649960888564e-07 5.534999997225398e-08 -5.731579975076784e-07 6.247900000144746e-08
shell4_X-4_Y4_Z-1_mono3_fix1//test20tig_AVDZ_AVQZfit/ DONE 31.015263260517795 1 1.0 0.0 -5.699649960888564e-07 5.534999997225398e-08 -5.731579975076784e-07 6.247900000144746e-08
shell4_X0_Y-4_Z4_mono1_fix1//test20tig_AVDZ_AVQZfit/ DONE 31.015263260517795 1 1.0 0.0 -5.699649960888564e-07 5.534999997225398e-08 -5.731579975076784e-07 6.247900000144746e-08
shell4_X-2_Y3_Z4_mono3_fix1//test20tig_AVDZ_AVQZfit/ DONE 31.0332578394784 1 1.0 0.0 -1.3933800033782973e-06 1.3811100002536492e-07 -1.3991240024324725e-06 1.5692400004430063e-07
shell4_X3_Y4_Z-2_mono2_fix1//test20tig_AVDZ_AVQZfit/ DONE 31.0332578394784 1 1.0 0.0 -1.3933800033782973e-06 1.3811100002536492e-07 -1.3991240024324725e-06 1.5692400004430063e-07
shell4_X4_Y-2_Z3_mono1_fix1//test20tig_AVDZ_AVQZfit/ DONE 31.0332578394784 1 1.0 0.0 -1.3933800033782973e-06 1.3811100002536492e-07 -1.3991240024324725e-06 1.5692400004430063e-07
shell4_X-2_Y4_Z-4_mono3_fix1//test20tig_AVDZ_AVQZfit/ DONE 31.04873043667915 1 1.0 0.0 -7.334699958505553e-07 7.90340000111911e-08 -7.35961990017131e-07 8.95200000239349e-08
shell4_X4_Y3_Z-2_mono2_fix1//test20tig_AVDZ_AVQZfit/ DONE 31.04873043667915 1 1.0 0.0 -7.334699958505553e-07 7.90340000111911e-08 -7.35961990017131e-07 8.95200000239349e-08
shell4_X4_Y-4_Z-2_mono2_fix1//test20tig_AVDZ_AVQZfit/ DONE 31.04873043667915 1 1.0 0.0 -7.334699958505553e-07 7.90340000111911e-08 -7.35961990017131e-07 8.95200000239349e-08
shell4_X3_Y-2_Z4_mono1_fix1//test20tig_AVDZ_AVQZfit/ DONE 31.04873043667915 1 1.0 0.0 -7.334699958505553e-07 7.90340000111911e-08 -7.35961990017131e-07 8.95200000239349e-08
shell4_X-4_Y-2_Z4_mono1_fix1//test20tig_AVDZ_AVQZfit/ DONE 31.04873043667915 1 1.0 0.0 -7.334699958505553e-07 7.90340000111911e-08 -7.35961990017131e-07 8.95200000239349e-08
shell4_X-2_Y4_Z3_mono3_fix1//test20tig_AVDZ_AVQZfit/ DONE 31.04873043667915 1 1.0 0.0 -7.334699958505553e-07 7.90340000111911e-08 -7.35961990017131e-07 8.95200000239349e-08
shell4_X-1_Y4_Z4_mono2_fix1//test20tig_AVDZ_AVQZfit/ DONE 31.065699180317267 1 1.0 0.0 -7.378319963891045e-07 8.48360000027526e-08 -7.40345008409804e-07 9.567400002796767e-08
shell4_X4_Y-1_Z4_mono3_fix1//test20tig_AVDZ_AVQZfit/ DONE 31.065699180317267 1 1.0 0.0 -7.378319963891045e-07 8.48360000027526e-08 -7.40345008409804e-07 9.567400002796767e-08
shell4_X4_Y4_Z-1_mono1_fix1//test20tig_AVDZ_AVQZfit/ DONE 31.065699180317267 1 1.0 0.0 -7.378319963891045e-07 8.48360000027526e-08 -7.40345008409804e-07 9.567400002796767e-08
shell4_X4_Y4_Z0_mono1_fix1//test20tig_AVDZ_AVQZfit/ DONE 31.082239074597076 1 1.0 0.0 -3.1968600211484954e-07 4.55939999643995e-08 -3.202949940828148e-07 5.1097000020039474e-08
shell4_X0_Y4_Z4_mono2_fix1//test20tig_AVDZ_AVQZfit/ DONE 31.082239074597076 1 1.0 0.0 -3.1968600211484954e-07 4.55939999643995e-08 -3.202949940828148e-07 5.1097000020039474e-08
shell4_X4_Y0_Z4_mono3_fix1//test20tig_AVDZ_AVQZfit/ DONE 31.082239074597076 1 1.0 0.0 -3.1968600211484954e-07 4.55939999643995e-08 -3.202949940828148e-07 5.1097000020039474e-08
shell4_X2_Y3_Z4_mono3_fix1//test20tig_AVDZ_AVQZfit/ DONE 31.0990447039475 1 1.0 0.0 1.3565399825665736e-07 -7.020000136748195e-10 1.3741400550770777e-07 -9.499999953366256e-10
shell4_X3_Y4_Z2_mono2_fix1//test20tig_AVDZ_AVQZfit/ DONE 31.0990447039475 1 1.0 0.0 1.3565399825665736e-07 -7.020000136748195e-10 1.3741400550770777e-07 -9.499999953366256e-10
shell4_X4_Y2_Z3_mono1_fix1//test20tig_AVDZ_AVQZfit/ DONE 31.0990447039475 1 1.0 0.0 1.3565399825665736e-07 -7.020000136748195e-10 1.3741400550770777e-07 -9.499999953366256e-10
shell4_X4_Y3_Z2_mono2_fix1//test20tig_AVDZ_AVQZfit/ DONE 31.11523298637591 1 1.0 0.0 9.715479976080132e-07 -8.987599997567486e-08 9.763020116793086e-07 -1.0178199999488768e-07
shell4_X2_Y4_Z3_mono3_fix1//test20tig_AVDZ_AVQZfit/ DONE 31.11523298637591 1 1.0 0.0 9.715479976080132e-07 -8.987599997567486e-08 9.763020116793086e-07 -1.0178199999488768e-07
shell4_X4_Y-4_Z2_mono2_fix1//test20tig_AVDZ_AVQZfit/ DONE 31.11523298637591 1 1.0 0.0 9.715479976080132e-07 -8.987599997567486e-08 9.763020116793086e-07 -1.0178199999488768e-07
shell4_X2_Y4_Z-4_mono3_fix1//test20tig_AVDZ_AVQZfit/ DONE 31.11523298637591 1 1.0 0.0 9.715479976080132e-07 -8.987599997567486e-08 9.763020116793086e-07 -1.0178199999488768e-07
shell4_X-4_Y2_Z4_mono1_fix1//test20tig_AVDZ_AVQZfit/ DONE 31.11523298637591 1 1.0 0.0 9.715479976080132e-07 -8.987599997567486e-08 9.763020116793086e-07 -1.0178199999488768e-07
shell4_X3_Y2_Z4_mono1_fix1//test20tig_AVDZ_AVQZfit/ DONE 31.11523298637591 1 1.0 0.0 9.715479976080132e-07 -8.987599997567486e-08 9.763020116793086e-07 -1.0178199999488768e-07
shell4_X0_Y4_Z4_mono1_fix1//test20tig_AVDZ_AVQZfit/ DONE 31.148372038800332 1 1.0 0.0 2.5503420033601287e-06 -2.6881300002612463e-07 2.5594129979822355e-06 -3.0389499999783354e-07
shell4_X-1_Y4_Z4_mono1_fix1//test20tig_AVDZ_AVQZfit/ DONE 31.148372038800332 1 1.0 0.0 2.5503420033601287e-06 -2.6881300002612463e-07 2.5594129979822355e-06 -3.0389499999783354e-07
shell4_X4_Y0_Z4_mono2_fix1//test20tig_AVDZ_AVQZfit/ DONE 31.148372038800332 1 1.0 0.0 2.5503420033601287e-06 -2.6881300002612463e-07 2.5594129979822355e-06 -3.0389499999783354e-07
shell4_X4_Y-1_Z4_mono2_fix1//test20tig_AVDZ_AVQZfit/ DONE 31.148372038800332 1 1.0 0.0 2.5503420033601287e-06 -2.6881300002612463e-07 2.5594129979822355e-06 -3.0389499999783354e-07
shell4_X4_Y4_Z0_mono3_fix1//test20tig_AVDZ_AVQZfit/ DONE 31.148372038800332 1 1.0 0.0 2.5503420033601287e-06 -2.6881300002612463e-07 2.5594129979822355e-06 -3.0389499999783354e-07
shell4_X4_Y4_Z-1_mono3_fix1//test20tig_AVDZ_AVQZfit/ DONE 31.148372038800332 1 1.0 0.0 2.5503420033601287e-06 -2.6881300002612463e-07 2.5594129979822355e-06 -3.0389499999783354e-07
shell4_X-2_Y4_Z-4_mono2_fix1//test20tig_AVDZ_AVQZfit/ DONE 31.76398893795065 1 1.0 0.0 -3.985029977116028e-07 1.698100005054215e-08 -4.037599978801154e-07 1.9083000013520035e-08
shell4_X-4_Y-2_Z4_mono3_fix1//test20tig_AVDZ_AVQZfit/ DONE 31.76398893795065 1 1.0 0.0 -3.985029977116028e-07 1.698100005054215e-08 -4.037599978801154e-07 1.9083000013520035e-08
shell4_X4_Y-4_Z-2_mono1_fix1//test20tig_AVDZ_AVQZfit/ DONE 31.76398893795065 1 1.0 0.0 -3.985029977116028e-07 1.698100005054215e-08 -4.037599978801154e-07 1.9083000013520035e-08
shell4_X-4_Y1_Z4_mono3_fix1//test20tig_AVDZ_AVQZfit/ DONE 31.808518547509962 1 1.0 0.0 -1.4192299957471732e-06 1.1715899994602097e-07 -1.428213998622141e-06 1.3308299995351547e-07
shell4_X1_Y4_Z-4_mono2_fix1//test20tig_AVDZ_AVQZfit/ DONE 31.808518547509962 1 1.0 0.0 -1.4192299957471732e-06 1.1715899994602097e-07 -1.428213998622141e-06 1.3308299995351547e-07
shell4_X4_Y-4_Z1_mono1_fix1//test20tig_AVDZ_AVQZfit/ DONE 31.808518547509962 1 1.0 0.0 -1.4192299957471732e-06 1.1715899994602097e-07 -1.428213998622141e-06 1.3308299995351547e-07
shell4_X1_Y-4_Z4_mono1_fix1//test20tig_AVDZ_AVQZfit/ DONE 31.852824634005405 1 1.0 0.0 -6.202809998967496e-07 5.955099996457491e-08 -6.236159961758858e-07 6.744499997379805e-08
shell4_X4_Y1_Z-4_mono2_fix1//test20tig_AVDZ_AVQZfit/ DONE 31.852824634005405 1 1.0 0.0 -6.202809998967496e-07 5.955099996457491e-08 -6.236159961758858e-07 6.744499997379805e-08
shell4_X-4_Y4_Z1_mono3_fix1//test20tig_AVDZ_AVQZfit/ DONE 31.852824634005405 1 1.0 0.0 -6.202809998967496e-07 5.955099996457491e-08 -6.236159961758858e-07 6.744499997379805e-08
shell4_X-4_Y4_Z-2_mono3_fix1//test20tig_AVDZ_AVQZfit/ DONE 31.852824634005405 1 1.0 0.0 -6.202809998967496e-07 5.955099996457491e-08 -6.236159961758858e-07 6.744499997379805e-08
shell4_X-2_Y-4_Z4_mono1_fix1//test20tig_AVDZ_AVQZfit/ DONE 31.852824634005405 1 1.0 0.0 -6.202809998967496e-07 5.955099996457491e-08 -6.236159961758858e-07 6.744499997379805e-08
shell4_X4_Y-2_Z-4_mono2_fix1//test20tig_AVDZ_AVQZfit/ DONE 31.852824634005405 1 1.0 0.0 -6.202809998967496e-07 5.955099996457491e-08 -6.236159961758858e-07 6.744499997379805e-08
shell4_X-2_Y4_Z4_mono2_fix1//test20tig_AVDZ_AVQZfit/ DONE 31.88570001299998 1 1.0 0.0 -9.919950016978873e-07 1.043540000522647e-07 -9.960119982110882e-07 1.179150000141238e-07
shell4_X4_Y-2_Z4_mono3_fix1//test20tig_AVDZ_AVQZfit/ DONE 31.88570001299998 1 1.0 0.0 -9.919950016978873e-07 1.043540000522647e-07 -9.960119982110882e-07 1.179150000141238e-07
shell4_X4_Y4_Z-2_mono1_fix1//test20tig_AVDZ_AVQZfit/ DONE 31.88570001299998 1 1.0 0.0 -9.919950016978873e-07 1.043540000522647e-07 -9.960119982110882e-07 1.179150000141238e-07
shell4_X4_Y1_Z4_mono3_fix1//test20tig_AVDZ_AVQZfit/ DONE 31.93391439295195 1 1.0 0.0 1.0708600228781506e-07 1.397000015668226e-09 1.0814999740205167e-07 1.1690000079056517e-09
shell4_X4_Y4_Z1_mono1_fix1//test20tig_AVDZ_AVQZfit/ DONE 31.93391439295195 1 1.0 0.0 1.0708600228781506e-07 1.397000015668226e-09 1.0814999740205167e-07 1.1690000079056517e-09
shell4_X1_Y4_Z4_mono2_fix1//test20tig_AVDZ_AVQZfit/ DONE 31.93391439295195 1 1.0 0.0 1.0708600228781506e-07 1.397000015668226e-09 1.0814999740205167e-07 1.1690000079056517e-09
shell4_X-2_Y4_Z4_mono1_fix1//test20tig_AVDZ_AVQZfit/ DONE 31.98210450153965 1 1.0 0.0 2.1797250013833036e-06 -2.26917999945897e-07 2.1876919973351505e-06 -2.5662500000023236e-07
shell4_X1_Y4_Z4_mono1_fix1//test20tig_AVDZ_AVQZfit/ DONE 31.98210450153965 1 1.0 0.0 2.1797250013833036e-06 -2.26917999945897e-07 2.1876919973351505e-06 -2.5662500000023236e-07
shell4_X4_Y1_Z4_mono2_fix1//test20tig_AVDZ_AVQZfit/ DONE 31.98210450153965 1 1.0 0.0 2.1797250013833036e-06 -2.26917999945897e-07 2.1876919973351505e-06 -2.5662500000023236e-07
shell4_X4_Y-2_Z4_mono2_fix1//test20tig_AVDZ_AVQZfit/ DONE 31.98210450153965 1 1.0 0.0 2.1797250013833036e-06 -2.26917999945897e-07 2.1876919973351505e-06 -2.5662500000023236e-07
shell4_X4_Y4_Z1_mono3_fix1//test20tig_AVDZ_AVQZfit/ DONE 31.98210450153965 1 1.0 0.0 2.1797250013833036e-06 -2.26917999945897e-07 2.1876919973351505e-06 -2.5662500000023236e-07
shell4_X4_Y4_Z-2_mono3_fix1//test20tig_AVDZ_AVQZfit/ DONE 31.98210450153965 1 1.0 0.0 2.1797250013833036e-06 -2.26917999945897e-07 2.1876919973351505e-06 -2.5662500000023236e-07
shell4_X3_Y-4_Z-4_mono1_fix1//test20tig_AVDZ_AVQZfit/ DONE 32.55301002838554 1 1.0 0.0 1.238944008719045e-06 -1.1550500000900854e-07 1.244181007109546e-06 -1.3120399999788646e-07
shell4_X-4_Y3_Z-4_mono2_fix1//test20tig_AVDZ_AVQZfit/ DONE 32.55301002838554 1 1.0 0.0 1.238944008719045e-06 -1.1550500000900854e-07 1.244181007109546e-06 -1.3120399999788646e-07
shell4_X-4_Y-4_Z-4_mono1_fix1//test20tig_AVDZ_AVQZfit/ DONE 32.55301002838554 1 1.0 0.0 1.238944008719045e-06 -1.1550500000900854e-07 1.244181007109546e-06 -1.3120399999788646e-07
shell4_X-4_Y-4_Z-4_mono2_fix1//test20tig_AVDZ_AVQZfit/ DONE 32.55301002838554 1 1.0 0.0 1.238944008719045e-06 -1.1550500000900854e-07 1.244181007109546e-06 -1.3120399999788646e-07
shell4_X-4_Y-4_Z-4_mono3_fix1//test20tig_AVDZ_AVQZfit/ DONE 32.55301002838554 1 1.0 0.0 1.238944008719045e-06 -1.1550500000900854e-07 1.244181007109546e-06 -1.3120399999788646e-07
shell4_X-4_Y-4_Z3_mono3_fix1//test20tig_AVDZ_AVQZfit/ DONE 32.55301002838554 1 1.0 0.0 1.238944008719045e-06 -1.1550500000900854e-07 1.244181007109546e-06 -1.3120399999788646e-07
shell4_X-4_Y3_Z3_mono3_fix1//test20tig_AVDZ_AVQZfit/ DONE 32.65449149542729 1 1.0 0.0 -1.0421560006079744e-06 9.402399997471278e-08 -1.047730002312619e-06 1.0681000001122598e-07
shell4_X-4_Y3_Z-4_mono3_fix1//test20tig_AVDZ_AVQZfit/ DONE 32.65449149542729 1 1.0 0.0 -1.0421560006079744e-06 9.402399997471278e-08 -1.047730002312619e-06 1.0681000001122598e-07
shell4_X3_Y3_Z-4_mono2_fix1//test20tig_AVDZ_AVQZfit/ DONE 32.65449149542729 1 1.0 0.0 -1.0421560006079744e-06 9.402399997471278e-08 -1.047730002312619e-06 1.0681000001122598e-07
shell4_X3_Y-4_Z3_mono1_fix1//test20tig_AVDZ_AVQZfit/ DONE 32.65449149542729 1 1.0 0.0 -1.0421560006079744e-06 9.402399997471278e-08 -1.047730002312619e-06 1.0681000001122598e-07
shell4_X3_Y-4_Z-4_mono2_fix1//test20tig_AVDZ_AVQZfit/ DONE 32.65449149542729 1 1.0 0.0 -1.0421560006079744e-06 9.402399997471278e-08 -1.047730002312619e-06 1.0681000001122598e-07
shell4_X-4_Y-4_Z3_mono1_fix1//test20tig_AVDZ_AVQZfit/ DONE 32.65449149542729 1 1.0 0.0 -1.0421560006079744e-06 9.402399997471278e-08 -1.047730002312619e-06 1.0681000001122598e-07
shell4_X3_Y4_Z-4_mono1_fix1//test20tig_AVDZ_AVQZfit/ DONE 32.669588975250925 1 1.0 0.0 -9.691489921692664e-07 9.194600003592512e-08 -9.739489996718476e-07 1.0424099999850611e-07
shell4_X-4_Y3_Z4_mono2_fix1//test20tig_AVDZ_AVQZfit/ DONE 32.669588975250925 1 1.0 0.0 -9.691489921692664e-07 9.194600003592512e-08 -9.739489996718476e-07 1.0424099999850611e-07
shell4_X4_Y-4_Z3_mono3_fix1//test20tig_AVDZ_AVQZfit/ DONE 32.669588975250925 1 1.0 0.0 -9.691489921692664e-07 9.194600003592512e-08 -9.739489996718476e-07 1.0424099999850611e-07
shell4_X-4_Y4_Z-4_mono1_fix1//test20tig_AVDZ_AVQZfit/ DONE 32.669588975250925 1 1.0 0.0 -9.691489921692664e-07 9.194600003592512e-08 -9.739489996718476e-07 1.0424099999850611e-07
shell4_X-4_Y-4_Z4_mono2_fix1//test20tig_AVDZ_AVQZfit/ DONE 32.669588975250925 1 1.0 0.0 -9.691489921692664e-07 9.194600003592512e-08 -9.739489996718476e-07 1.0424099999850611e-07
shell4_X4_Y-4_Z-4_mono3_fix1//test20tig_AVDZ_AVQZfit/ DONE 32.669588975250925 1 1.0 0.0 -9.691489921692664e-07 9.194600003592512e-08 -9.739489996718476e-07 1.0424099999850611e-07
shell4_X0_Y4_Z4_mono3_fix1//test20tig_AVDZ_AVQZfit/ DONE 32.731955300393494 1 1.0 0.0 -3.1298599623141854e-07 4.1163999986437716e-08 -3.1324699278911794e-07 4.649700000025625e-08
shell4_X4_Y0_Z4_mono1_fix1//test20tig_AVDZ_AVQZfit/ DONE 32.731955300393494 1 1.0 0.0 -3.1298599623141854e-07 4.1163999986437716e-08 -3.1324699278911794e-07 4.649700000025625e-08
shell4_X4_Y4_Z0_mono2_fix1//test20tig_AVDZ_AVQZfit/ DONE 32.731955300393494 1 1.0 0.0 -3.1298599623141854e-07 4.1163999986437716e-08 -3.1324699278911794e-07 4.649700000025625e-08
shell4_X3_Y3_Z4_mono2_fix1//test20tig_AVDZ_AVQZfit/ DONE 32.77903822632828 1 1.0 0.0 1.1672490032310634e-06 -1.1335500005316135e-07 1.172082995992696e-06 -1.2842300001203455e-07
shell4_X4_Y3_Z3_mono3_fix1//test20tig_AVDZ_AVQZfit/ DONE 32.77903822632828 1 1.0 0.0 1.1672490032310634e-06 -1.1335500005316135e-07 1.172082995992696e-06 -1.2842300001203455e-07
shell4_X3_Y4_Z3_mono1_fix1//test20tig_AVDZ_AVQZfit/ DONE 32.77903822632828 1 1.0 0.0 1.1672490032310634e-06 -1.1335500005316135e-07 1.172082995992696e-06 -1.2842300001203455e-07
shell4_X3_Y-4_Z4_mono2_fix1//test20tig_AVDZ_AVQZfit/ DONE 32.77903822632828 1 1.0 0.0 1.1672490032310634e-06 -1.1335500005316135e-07 1.172082995992696e-06 -1.2842300001203455e-07
shell4_X4_Y3_Z-4_mono3_fix1//test20tig_AVDZ_AVQZfit/ DONE 32.77903822632828 1 1.0 0.0 1.1672490032310634e-06 -1.1335500005316135e-07 1.172082995992696e-06 -1.2842300001203455e-07
shell4_X-4_Y4_Z3_mono1_fix1//test20tig_AVDZ_AVQZfit/ DONE 32.77903822632828 1 1.0 0.0 1.1672490032310634e-06 -1.1335500005316135e-07 1.172082995992696e-06 -1.2842300001203455e-07
shell4_X4_Y-4_Z-3_mono0_fix1//test20tig_AVDZ_AVQZfit/ DONE 32.862347534792555 1 1.0 0.0 1.2368270034812667e-06 -1.1531900007133444e-07 1.24255500821846e-06 -1.3061199999331308e-07
shell4_X-3_Y4_Z-4_mono0_fix1//test20tig_AVDZ_AVQZfit/ DONE 32.862347534792555 1 1.0 0.0 1.2368270034812667e-06 -1.1531900007133444e-07 1.24255500821846e-06 -1.3061199999331308e-07
shell4_X3_Y-4_Z4_mono0_fix1//test20tig_AVDZ_AVQZfit/ DONE 32.862347534792555 1 1.0 0.0 1.2368270034812667e-06 -1.1531900007133444e-07 1.24255500821846e-06 -1.3061199999331308e-07
shell4_X-4_Y-3_Z4_mono0_fix1//test20tig_AVDZ_AVQZfit/ DONE 32.862347534792555 1 1.0 0.0 1.2368270034812667e-06 -1.1531900007133444e-07 1.24255500821846e-06 -1.3061199999331308e-07
shell4_X4_Y3_Z-4_mono0_fix1//test20tig_AVDZ_AVQZfit/ DONE 32.862347534792555 1 1.0 0.0 1.2368270034812667e-06 -1.1531900007133444e-07 1.24255500821846e-06 -1.3061199999331308e-07
shell4_X-4_Y4_Z3_mono0_fix1//test20tig_AVDZ_AVQZfit/ DONE 32.862347534792555 1 1.0 0.0 1.2368270034812667e-06 -1.1531900007133444e-07 1.24255500821846e-06 -1.3061199999331308e-07
shell4_X-4_Y3_Z4_mono0_fix1//test20tig_AVDZ_AVQZfit/ DONE 32.862347808148556 1 1.0 0.0 1.2414449983566556e-06 -1.1541999994646446e-07 1.247036998108797e-06 -1.3095199996593365e-07
shell4_X4_Y-3_Z-4_mono0_fix1//test20tig_AVDZ_AVQZfit/ DONE 32.862347808148556 1 1.0 0.0 1.2414449983566556e-06 -1.1541999994646446e-07 1.247036998108797e-06 -1.3095199996593365e-07
shell4_X-3_Y-4_Z4_mono0_fix1//test20tig_AVDZ_AVQZfit/ DONE 32.862347808148556 1 1.0 0.0 1.2414449983566556e-06 -1.1541999994646446e-07 1.247036998108797e-06 -1.3095199996593365e-07
shell4_X3_Y4_Z-4_mono0_fix1//test20tig_AVDZ_AVQZfit/ DONE 32.862347808148556 1 1.0 0.0 1.2414449983566556e-06 -1.1541999994646446e-07 1.247036998108797e-06 -1.3095199996593365e-07
shell4_X-4_Y4_Z-3_mono0_fix1//test20tig_AVDZ_AVQZfit/ DONE 32.862347808148556 1 1.0 0.0 1.2414449983566556e-06 -1.1541999994646446e-07 1.247036998108797e-06 -1.3095199996593365e-07
shell4_X4_Y-4_Z3_mono0_fix1//test20tig_AVDZ_AVQZfit/ DONE 32.862347808148556 1 1.0 0.0 1.2414449983566556e-06 -1.1541999994646446e-07 1.247036998108797e-06 -1.3095199996593365e-07
shell4_X-3_Y4_Z4_mono0_fix1//test20tig_AVDZ_AVQZfit/ DONE 32.86352108689958 1 1.0 0.0 6.060789985440351e-07 -5.881000003649106e-08 6.086310051500732e-07 -6.648799999453558e-08
shell4_X3_Y-4_Z-4_mono0_fix1//test20tig_AVDZ_AVQZfit/ DONE 32.86352108689958 1 1.0 0.0 6.060789985440351e-07 -5.881000003649106e-08 6.086310051500732e-07 -6.648799999453558e-08
shell4_X-4_Y3_Z-4_mono0_fix1//test20tig_AVDZ_AVQZfit/ DONE 32.86352108689958 1 1.0 0.0 6.060789985440351e-07 -5.881000003649106e-08 6.086310051500732e-07 -6.648799999453558e-08
shell4_X4_Y-3_Z4_mono0_fix1//test20tig_AVDZ_AVQZfit/ DONE 32.86352108689958 1 1.0 0.0 6.060789985440351e-07 -5.881000003649106e-08 6.086310051500732e-07 -6.648799999453558e-08
shell4_X-4_Y-4_Z3_mono0_fix1//test20tig_AVDZ_AVQZfit/ DONE 32.86352108689958 1 1.0 0.0 6.060789985440351e-07 -5.881000003649106e-08 6.086310051500732e-07 -6.648799999453558e-08
shell4_X4_Y4_Z-3_mono0_fix1//test20tig_AVDZ_AVQZfit/ DONE 32.86352108689958 1 1.0 0.0 6.060789985440351e-07 -5.881000003649106e-08 6.086310051500732e-07 -6.648799999453558e-08
shell4_X-3_Y-4_Z-4_mono0_fix1//test20tig_AVDZ_AVQZfit/ DONE 32.87055072284377 1 1.0 0.0 -3.04948100904312e-06 2.8738499996405764e-07 -3.0649149920236596e-06 3.251399999792959e-07
shell4_X-4_Y-3_Z-4_mono0_fix1//test20tig_AVDZ_AVQZfit/ DONE 32.87055072284377 1 1.0 0.0 -3.04948100904312e-06 2.8738499996405764e-07 -3.0649149920236596e-06 3.251399999792959e-07
shell4_X4_Y3_Z4_mono0_fix1//test20tig_AVDZ_AVQZfit/ DONE 32.87055072284377 1 1.0 0.0 -3.04948100904312e-06 2.8738499996405764e-07 -3.0649149920236596e-06 3.251399999792959e-07
shell4_X-4_Y-4_Z-3_mono0_fix1//test20tig_AVDZ_AVQZfit/ DONE 32.87055072284377 1 1.0 0.0 -3.04948100904312e-06 2.8738499996405764e-07 -3.0649149920236596e-06 3.251399999792959e-07
shell4_X4_Y4_Z3_mono0_fix1//test20tig_AVDZ_AVQZfit/ DONE 32.87055072284377 1 1.0 0.0 -3.04948100904312e-06 2.8738499996405764e-07 -3.0649149920236596e-06 3.251399999792959e-07
shell4_X3_Y4_Z4_mono0_fix1//test20tig_AVDZ_AVQZfit/ DONE 32.87055072284377 1 1.0 0.0 -3.04948100904312e-06 2.8738499996405764e-07 -3.0649149920236596e-06 3.251399999792959e-07
shell4_X-3_Y-4_Z4_mono3_fix1//test20tig_AVDZ_AVQZfit/ DONE 32.96918465812338 1 1.0 0.0 1.2221399714462677e-07 -2.556799999497983e-08 1.2058800535896808e-07 -2.8832999987571384e-08
shell4_X4_Y-3_Z-4_mono1_fix1//test20tig_AVDZ_AVQZfit/ DONE 32.96918465812338 1 1.0 0.0 1.2221399714462677e-07 -2.556799999497983e-08 1.2058800535896808e-07 -2.8832999987571384e-08
shell4_X-4_Y4_Z-3_mono2_fix1//test20tig_AVDZ_AVQZfit/ DONE 32.96918465812338 1 1.0 0.0 1.2221399714462677e-07 -2.556799999497983e-08 1.2058800535896808e-07 -2.8832999987571384e-08
shell4_X3_Y-4_Z4_mono3_fix1//test20tig_AVDZ_AVQZfit/ DONE 33.0555936305289 1 1.0 0.0 -1.295071001550241e-06 1.1765899993188e-07 -1.3018879982951148e-06 1.33672000024454e-07
shell4_X4_Y3_Z-4_mono1_fix1//test20tig_AVDZ_AVQZfit/ DONE 33.0555936305289 1 1.0 0.0 -1.295071001550241e-06 1.1765899993188e-07 -1.3018879982951148e-06 1.33672000024454e-07
shell4_X-4_Y4_Z3_mono2_fix1//test20tig_AVDZ_AVQZfit/ DONE 33.0555936305289 1 1.0 0.0 -1.295071001550241e-06 1.1765899993188e-07 -1.3018879982951148e-06 1.33672000024454e-07
shell4_X-3_Y3_Z4_mono3_fix1//test20tig_AVDZ_AVQZfit/ DONE 33.070573107469045 1 1.0 0.0 -1.2207750046400179e-06 1.1533199995028554e-07 -1.2266259972193438e-06 1.3097900000702545e-07
shell4_X3_Y4_Z-3_mono2_fix1//test20tig_AVDZ_AVQZfit/ DONE 33.070573107469045 1 1.0 0.0 -1.2207750046400179e-06 1.1533199995028554e-07 -1.2266259972193438e-06 1.3097900000702545e-07
shell4_X4_Y-3_Z3_mono1_fix1//test20tig_AVDZ_AVQZfit/ DONE 33.070573107469045 1 1.0 0.0 -1.2207750046400179e-06 1.1533199995028554e-07 -1.2266259972193438e-06 1.3097900000702545e-07
shell4_X4_Y3_Z-3_mono2_fix1//test20tig_AVDZ_AVQZfit/ DONE 33.08498247615254 1 1.0 0.0 -7.907270003215672e-07 7.869800006110594e-08 -7.942369890656664e-07 8.924299998991359e-08
shell4_X3_Y-3_Z4_mono1_fix1//test20tig_AVDZ_AVQZfit/ DONE 33.08498247615254 1 1.0 0.0 -7.907270003215672e-07 7.869800006110594e-08 -7.942369890656664e-07 8.924299998991359e-08
shell4_X-3_Y4_Z-4_mono3_fix1//test20tig_AVDZ_AVQZfit/ DONE 33.08498247615254 1 1.0 0.0 -7.907270003215672e-07 7.869800006110594e-08 -7.942369890656664e-07 8.924299998991359e-08
shell4_X-4_Y-3_Z4_mono1_fix1//test20tig_AVDZ_AVQZfit/ DONE 33.08498247615254 1 1.0 0.0 -7.907270003215672e-07 7.869800006110594e-08 -7.942369890656664e-07 8.924299998991359e-08
shell4_X-3_Y4_Z3_mono3_fix1//test20tig_AVDZ_AVQZfit/ DONE 33.08498247615254 1 1.0 0.0 -7.907270003215672e-07 7.869800006110594e-08 -7.942369890656664e-07 8.924299998991359e-08
shell4_X4_Y-4_Z-3_mono2_fix1//test20tig_AVDZ_AVQZfit/ DONE 33.08498247615254 1 1.0 0.0 -7.907270003215672e-07 7.869800006110594e-08 -7.942369890656664e-07 8.924299998991359e-08
shell4_X-1_Y4_Z4_mono3_fix1//test20tig_AVDZ_AVQZfit/ DONE 33.11608721872692 1 1.0 0.0 -6.140200028426079e-07 6.8264999986134e-08 -6.158529899380483e-07 7.731799997467981e-08
shell4_X4_Y-1_Z4_mono1_fix1//test20tig_AVDZ_AVQZfit/ DONE 33.11608721872692 1 1.0 0.0 -6.140200028426079e-07 6.8264999986134e-08 -6.158529899380483e-07 7.731799997467981e-08
shell4_X4_Y4_Z-1_mono2_fix1//test20tig_AVDZ_AVQZfit/ DONE 33.11608721872692 1 1.0 0.0 -6.140200028426079e-07 6.8264999986134e-08 -6.158529899380483e-07 7.731799997467981e-08
shell4_X4_Y1_Z4_mono1_fix1//test20tig_AVDZ_AVQZfit/ DONE 33.14709093895372 1 1.0 0.0 4.502400230421699e-08 5.2990000165564766e-09 4.6191011904284096e-08 6.060999979684567e-09
shell4_X4_Y4_Z1_mono2_fix1//test20tig_AVDZ_AVQZfit/ DONE 33.14709093895372 1 1.0 0.0 4.502400230421699e-08 5.2990000165564766e-09 4.6191011904284096e-08 6.060999979684567e-09
shell4_X1_Y4_Z4_mono3_fix1//test20tig_AVDZ_AVQZfit/ DONE 33.14709093895372 1 1.0 0.0 4.502400230421699e-08 5.2990000165564766e-09 4.6191011904284096e-08 6.060999979684567e-09
shell4_X3_Y3_Z4_mono3_fix1//test20tig_AVDZ_AVQZfit/ DONE 33.16274372028225 1 1.0 0.0 4.394320001210872e-07 -3.490800004612993e-08 4.418630012992253e-07 -3.989399999237975e-08
shell4_X3_Y4_Z3_mono2_fix1//test20tig_AVDZ_AVQZfit/ DONE 33.16274372028225 1 1.0 0.0 4.394320001210872e-07 -3.490800004612993e-08 4.418630012992253e-07 -3.989399999237975e-08
shell4_X4_Y3_Z3_mono1_fix1//test20tig_AVDZ_AVQZfit/ DONE 33.16274372028225 1 1.0 0.0 4.394320001210872e-07 -3.490800004612993e-08 4.418630012992253e-07 -3.989399999237975e-08
shell4_X3_Y3_Z4_mono1_fix1//test20tig_AVDZ_AVQZfit/ DONE 33.17803125214588 1 1.0 0.0 1.0911449876971346e-06 -1.0544099998677225e-07 1.0958559997220618e-06 -1.194470000132064e-07
shell4_X3_Y4_Z3_mono3_fix1//test20tig_AVDZ_AVQZfit/ DONE 33.17803125214588 1 1.0 0.0 1.0911449876971346e-06 -1.0544099998677225e-07 1.0958559997220618e-06 -1.194470000132064e-07
shell4_X3_Y4_Z-4_mono3_fix1//test20tig_AVDZ_AVQZfit/ DONE 33.17803125214588 1 1.0 0.0 1.0911449876971346e-06 -1.0544099998677225e-07 1.0958559997220618e-06 -1.194470000132064e-07
shell4_X4_Y3_Z3_mono2_fix1//test20tig_AVDZ_AVQZfit/ DONE 33.17803125214588 1 1.0 0.0 1.0911449876971346e-06 -1.0544099998677225e-07 1.0958559997220618e-06 -1.194470000132064e-07
shell4_X4_Y-4_Z3_mono2_fix1//test20tig_AVDZ_AVQZfit/ DONE 33.17803125214588 1 1.0 0.0 1.0911449876971346e-06 -1.0544099998677225e-07 1.0958559997220618e-06 -1.194470000132064e-07
shell4_X-4_Y3_Z4_mono1_fix1//test20tig_AVDZ_AVQZfit/ DONE 33.17803125214588 1 1.0 0.0 1.0911449876971346e-06 -1.0544099998677225e-07 1.0958559997220618e-06 -1.194470000132064e-07
shell4_X-3_Y4_Z-4_mono2_fix1//test20tig_AVDZ_AVQZfit/ DONE 33.365921451259744 1 1.0 0.0 1.0691999818845943e-07 -2.2958000001072065e-08 1.0508800585284916e-07 -2.6173999995160457e-08
shell4_X-4_Y-3_Z4_mono3_fix1//test20tig_AVDZ_AVQZfit/ DONE 33.365921451259744 1 1.0 0.0 1.0691999818845943e-07 -2.2958000001072065e-08 1.0508800585284916e-07 -2.6173999995160457e-08
shell4_X4_Y-4_Z-3_mono1_fix1//test20tig_AVDZ_AVQZfit/ DONE 33.365921451259744 1 1.0 0.0 1.0691999818845943e-07 -2.2958000001072065e-08 1.0508800585284916e-07 -2.6173999995160457e-08
shell4_X4_Y-4_Z2_mono1_fix1//test20tig_AVDZ_AVQZfit/ DONE 33.43683779347508 1 1.0 0.0 -1.2317189970190157e-06 1.0724099996917147e-07 -1.2387779904088347e-06 1.219270000241135e-07
shell4_X2_Y4_Z-4_mono2_fix1//test20tig_AVDZ_AVQZfit/ DONE 33.43683779347508 1 1.0 0.0 -1.2317189970190157e-06 1.0724099996917147e-07 -1.2387779904088347e-06 1.219270000241135e-07
shell4_X-4_Y2_Z4_mono3_fix1//test20tig_AVDZ_AVQZfit/ DONE 33.43683779347508 1 1.0 0.0 -1.2317189970190157e-06 1.0724099996917147e-07 -1.2387779904088347e-06 1.219270000241135e-07
shell4_X2_Y-4_Z4_mono1_fix1//test20tig_AVDZ_AVQZfit/ DONE 33.46506436565866 1 1.0 0.0 -6.732369968176499e-07 6.410599995287924e-08 -6.767339968405395e-07 7.258300002699336e-08
shell4_X-3_Y-4_Z4_mono1_fix1//test20tig_AVDZ_AVQZfit/ DONE 33.46506436565866 1 1.0 0.0 -6.732369968176499e-07 6.410599995287924e-08 -6.767339968405395e-07 7.258300002699336e-08
shell4_X4_Y2_Z-4_mono2_fix1//test20tig_AVDZ_AVQZfit/ DONE 33.46506436565866 1 1.0 0.0 -6.732369968176499e-07 6.410599995287924e-08 -6.767339968405395e-07 7.258300002699336e-08
shell4_X4_Y-3_Z-4_mono2_fix1//test20tig_AVDZ_AVQZfit/ DONE 33.46506436565866 1 1.0 0.0 -6.732369968176499e-07 6.410599995287924e-08 -6.767339968405395e-07 7.258300002699336e-08
shell4_X-4_Y4_Z2_mono3_fix1//test20tig_AVDZ_AVQZfit/ DONE 33.46506436565866 1 1.0 0.0 -6.732369968176499e-07 6.410599995287924e-08 -6.767339968405395e-07 7.258300002699336e-08
shell4_X-4_Y4_Z-3_mono3_fix1//test20tig_AVDZ_AVQZfit/ DONE 33.46506436565866 1 1.0 0.0 -6.732369968176499e-07 6.410599995287924e-08 -6.767339968405395e-07 7.258300002699336e-08
shell4_X4_Y4_Z-3_mono1_fix1//test20tig_AVDZ_AVQZfit/ DONE 33.480905303764224 1 1.0 0.0 -1.0214350041337639e-06 1.0122000004830767e-07 -1.0261070002570705e-06 1.1448100001310024e-07
shell4_X-3_Y4_Z4_mono2_fix1//test20tig_AVDZ_AVQZfit/ DONE 33.480905303764224 1 1.0 0.0 -1.0214350041337639e-06 1.0122000004830767e-07 -1.0261070002570705e-06 1.1448100001310024e-07
shell4_X4_Y-3_Z4_mono3_fix1//test20tig_AVDZ_AVQZfit/ DONE 33.480905303764224 1 1.0 0.0 -1.0214350041337639e-06 1.0122000004830767e-07 -1.0261070002570705e-06 1.1448100001310024e-07
shell4_X4_Y2_Z4_mono3_fix1//test20tig_AVDZ_AVQZfit/ DONE 33.55711682403408 1 1.0 0.0 4.1126799033008865e-07 -3.213299998305885e-08 4.133880011636393e-07 -3.68869999822774e-08
shell4_X2_Y4_Z4_mono2_fix1//test20tig_AVDZ_AVQZfit/ DONE 33.55711682403408 1 1.0 0.0 4.1126799033008865e-07 -3.213299998305885e-08 4.133880011636393e-07 -3.68869999822774e-08
shell4_X4_Y4_Z2_mono1_fix1//test20tig_AVDZ_AVQZfit/ DONE 33.55711682403408 1 1.0 0.0 4.1126799033008865e-07 -3.213299998305885e-08 4.133880011636393e-07 -3.68869999822774e-08
shell4_X2_Y4_Z4_mono1_fix1//test20tig_AVDZ_AVQZfit/ DONE 33.58758262944213 1 1.0 0.0 1.6083630001162419e-06 -1.635720000003893e-07 1.6145290047120398e-06 -1.8505400001256334e-07
shell4_X-3_Y4_Z4_mono1_fix1//test20tig_AVDZ_AVQZfit/ DONE 33.58758262944213 1 1.0 0.0 1.6083630001162419e-06 -1.635720000003893e-07 1.6145290047120398e-06 -1.8505400001256334e-07
shell4_X4_Y-3_Z4_mono2_fix1//test20tig_AVDZ_AVQZfit/ DONE 33.58758262944213 1 1.0 0.0 1.6083630001162419e-06 -1.635720000003893e-07 1.6145290047120398e-06 -1.8505400001256334e-07
shell4_X4_Y4_Z2_mono3_fix1//test20tig_AVDZ_AVQZfit/ DONE 33.58758262944213 1 1.0 0.0 1.6083630001162419e-06 -1.635720000003893e-07 1.6145290047120398e-06 -1.8505400001256334e-07
shell4_X4_Y4_Z-3_mono3_fix1//test20tig_AVDZ_AVQZfit/ DONE 33.58758262944213 1 1.0 0.0 1.6083630001162419e-06 -1.635720000003893e-07 1.6145290047120398e-06 -1.8505400001256334e-07
shell4_X4_Y2_Z4_mono2_fix1//test20tig_AVDZ_AVQZfit/ DONE 33.58758262944213 1 1.0 0.0 1.6083630001162419e-06 -1.635720000003893e-07 1.6145290047120398e-06 -1.8505400001256334e-07
shell4_X-2_Y4_Z4_mono3_fix1//test20tig_AVDZ_AVQZfit/ DONE 34.27270878628605 1 1.0 0.0 -7.66280997765989e-07 7.902199994358483e-08 -7.693049965951104e-07 8.951600000139948e-08
shell4_X4_Y-2_Z4_mono1_fix1//test20tig_AVDZ_AVQZfit/ DONE 34.27270878628605 1 1.0 0.0 -7.66280997765989e-07 7.902199994358483e-08 -7.693049965951104e-07 8.951600000139948e-08
shell4_X4_Y4_Z-2_mono2_fix1//test20tig_AVDZ_AVQZfit/ DONE 34.27270878628605 1 1.0 0.0 -7.66280997765989e-07 7.902199994358483e-08 -7.693049965951104e-07 8.951600000139948e-08
shell4_X2_Y4_Z4_mono3_fix1//test20tig_AVDZ_AVQZfit/ DONE 34.33243324654367 1 1.0 0.0 3.4491198874775364e-07 -2.633300000276506e-08 3.4700800455311764e-07 -3.010099999811722e-08
shell4_X4_Y2_Z4_mono1_fix1//test20tig_AVDZ_AVQZfit/ DONE 34.33243324654367 1 1.0 0.0 3.4491198874775364e-07 -2.633300000276506e-08 3.4700800455311764e-07 -3.010099999811722e-08
shell4_X4_Y4_Z2_mono2_fix1//test20tig_AVDZ_AVQZfit/ DONE 34.33243324654367 1 1.0 0.0 3.4491198874775364e-07 -2.633300000276506e-08 3.4700800455311764e-07 -3.010099999811722e-08
shell4_X4_Y-4_Z-4_mono0_fix1//test20tig_AVDZ_AVQZfit/ DONE 35.55573890267979 1 1.0 0.0 8.321179976178428e-07 -7.786000000287174e-08 8.357929957014676e-07 -8.826900002589788e-08
shell4_X4_Y-4_Z4_mono0_fix1//test20tig_AVDZ_AVQZfit/ DONE 35.55573890267979 1 1.0 0.0 8.321179976178428e-07 -7.786000000287174e-08 8.357929957014676e-07 -8.826900002589788e-08
shell4_X4_Y4_Z-4_mono0_fix1//test20tig_AVDZ_AVQZfit/ DONE 35.55573890267979 1 1.0 0.0 8.321179976178428e-07 -7.786000000287174e-08 8.357929957014676e-07 -8.826900002589788e-08
shell4_X-4_Y-4_Z4_mono0_fix1//test20tig_AVDZ_AVQZfit/ DONE 35.55573890267979 1 1.0 0.0 8.321179976178428e-07 -7.786000000287174e-08 8.357929957014676e-07 -8.826900002589788e-08
shell4_X-4_Y4_Z-4_mono0_fix1//test20tig_AVDZ_AVQZfit/ DONE 35.55573890267979 1 1.0 0.0 8.321179976178428e-07 -7.786000000287174e-08 8.357929957014676e-07 -8.826900002589788e-08
shell4_X-4_Y4_Z4_mono0_fix1//test20tig_AVDZ_AVQZfit/ DONE 35.55573890267979 1 1.0 0.0 8.321179976178428e-07 -7.786000000287174e-08 8.357929957014676e-07 -8.826900002589788e-08
shell4_X-4_Y-4_Z-4_mono0_fix1//test20tig_AVDZ_AVQZfit/ DONE 35.5631404971426 1 1.0 0.0 -2.4704280008336355e-06 2.3257200004733747e-07 -2.4830009976994916e-06 2.631739999814364e-07
shell4_X4_Y4_Z4_mono0_fix1//test20tig_AVDZ_AVQZfit/ DONE 35.5631404971426 1 1.0 0.0 -2.4704280008336355e-06 2.3257200004733747e-07 -2.4830009976994916e-06 2.631739999814364e-07
shell4_X4_Y-4_Z-4_mono1_fix1//test20tig_AVDZ_AVQZfit/ DONE 35.64059807355901 1 1.0 0.0 4.2249200049582214e-07 -4.593999997082321e-08 4.2312100845265377e-07 -5.208599998529628e-08
shell4_X-4_Y4_Z-4_mono2_fix1//test20tig_AVDZ_AVQZfit/ DONE 35.64059807355901 1 1.0 0.0 4.2249200049582214e-07 -4.593999997082321e-08 4.2312100845265377e-07 -5.208599998529628e-08
shell4_X-4_Y-4_Z4_mono3_fix1//test20tig_AVDZ_AVQZfit/ DONE 35.64059807355901 1 1.0 0.0 4.2249200049582214e-07 -4.593999997082321e-08 4.2312100845265377e-07 -5.208599998529628e-08
shell4_X3_Y4_Z-4_mono2_fix1//test20tig_AVDZ_AVQZfit/ DONE 35.7339719664871 1 1.0 0.0 -9.36163004894297e-07 8.513999999459898e-08 -9.411830106387242e-07 9.667600001095344e-08
shell4_X-4_Y3_Z4_mono3_fix1//test20tig_AVDZ_AVQZfit/ DONE 35.7339719664871 1 1.0 0.0 -9.36163004894297e-07 8.513999999459898e-08 -9.411830106387242e-07 9.667600001095344e-08
shell4_X4_Y-4_Z3_mono1_fix1//test20tig_AVDZ_AVQZfit/ DONE 35.7339719664871 1 1.0 0.0 -9.36163004894297e-07 8.513999999459898e-08 -9.411830106387242e-07 9.667600001095344e-08
shell4_X4_Y-4_Z-4_mono2_fix1//test20tig_AVDZ_AVQZfit/ DONE 35.74725101488639 1 1.0 0.0 -6.864279953333607e-07 6.504999994216831e-08 -6.899609914512439e-07 7.358700002124685e-08
shell4_X3_Y-4_Z4_mono1_fix1//test20tig_AVDZ_AVQZfit/ DONE 35.74725101488639 1 1.0 0.0 -6.864279953333607e-07 6.504999994216831e-08 -6.899609914512439e-07 7.358700002124685e-08
shell4_X4_Y3_Z-4_mono2_fix1//test20tig_AVDZ_AVQZfit/ DONE 35.74725101488639 1 1.0 0.0 -6.864279953333607e-07 6.504999994216831e-08 -6.899609914512439e-07 7.358700002124685e-08
shell4_X-4_Y4_Z-4_mono3_fix1//test20tig_AVDZ_AVQZfit/ DONE 35.74725101488639 1 1.0 0.0 -6.864279953333607e-07 6.504999994216831e-08 -6.899609914512439e-07 7.358700002124685e-08
shell4_X-4_Y4_Z3_mono3_fix1//test20tig_AVDZ_AVQZfit/ DONE 35.74725101488639 1 1.0 0.0 -6.864279953333607e-07 6.504999994216831e-08 -6.899609914512439e-07 7.358700002124685e-08
shell4_X-4_Y-4_Z4_mono1_fix1//test20tig_AVDZ_AVQZfit/ DONE 35.74725101488639 1 1.0 0.0 -6.864279953333607e-07 6.504999994216831e-08 -6.899609914512439e-07 7.358700002124685e-08
shell4_X-4_Y4_Z4_mono2_fix1//test20tig_AVDZ_AVQZfit/ DONE 35.747706724013796 1 1.0 0.0 -8.851869992554384e-07 8.38070000064306e-08 -8.896689962512028e-07 9.488800001289377e-08
shell4_X4_Y4_Z-4_mono1_fix1//test20tig_AVDZ_AVQZfit/ DONE 35.747706724013796 1 1.0 0.0 -8.851869992554384e-07 8.38070000064306e-08 -8.896689962512028e-07 9.488800001289377e-08
shell4_X4_Y-4_Z4_mono3_fix1//test20tig_AVDZ_AVQZfit/ DONE 35.747706724013796 1 1.0 0.0 -8.851869992554384e-07 8.38070000064306e-08 -8.896689962512028e-07 9.488800001289377e-08
shell4_X3_Y4_Z4_mono2_fix1//test20tig_AVDZ_AVQZfit/ DONE 35.84716199340332 1 1.0 0.0 5.577869970352367e-07 -4.9969999971199996e-08 5.603190018632631e-07 -5.678300002420755e-08
shell4_X4_Y3_Z4_mono3_fix1//test20tig_AVDZ_AVQZfit/ DONE 35.84716199340332 1 1.0 0.0 5.577869970352367e-07 -4.9969999971199996e-08 5.603190018632631e-07 -5.678300002420755e-08
shell4_X4_Y4_Z3_mono1_fix1//test20tig_AVDZ_AVQZfit/ DONE 35.84716199340332 1 1.0 0.0 5.577869970352367e-07 -4.9969999971199996e-08 5.603190018632631e-07 -5.678300002420755e-08
shell4_X4_Y3_Z4_mono2_fix1//test20tig_AVDZ_AVQZfit/ DONE 35.861359637673836 1 1.0 0.0 1.0366879976686505e-06 -1.0185399995643607e-07 1.040892001924476e-06 -1.1536500002518046e-07
shell4_X4_Y4_Z3_mono3_fix1//test20tig_AVDZ_AVQZfit/ DONE 35.861359637673836 1 1.0 0.0 1.0366879976686505e-06 -1.0185399995643607e-07 1.040892001924476e-06 -1.1536500002518046e-07
shell4_X4_Y-4_Z4_mono2_fix1//test20tig_AVDZ_AVQZfit/ DONE 35.861359637673836 1 1.0 0.0 1.0366879976686505e-06 -1.0185399995643607e-07 1.040892001924476e-06 -1.1536500002518046e-07
shell4_X4_Y4_Z-4_mono3_fix1//test20tig_AVDZ_AVQZfit/ DONE 35.861359637673836 1 1.0 0.0 1.0366879976686505e-06 -1.0185399995643607e-07 1.040892001924476e-06 -1.1536500002518046e-07
shell4_X3_Y4_Z4_mono1_fix1//test20tig_AVDZ_AVQZfit/ DONE 35.861359637673836 1 1.0 0.0 1.0366879976686505e-06 -1.0185399995643607e-07 1.040892001924476e-06 -1.1536500002518046e-07
shell4_X-4_Y4_Z4_mono1_fix1//test20tig_AVDZ_AVQZfit/ DONE 35.861359637673836 1 1.0 0.0 1.0366879976686505e-06 -1.0185399995643607e-07 1.040892001924476e-06 -1.1536500002518046e-07
shell4_X-3_Y4_Z4_mono3_fix1//test20tig_AVDZ_AVQZfit/ DONE 36.127756756095664 1 1.0 0.0 -7.60458000570452e-07 7.45789999201385e-08 -7.639790027269555e-07 8.442499999095077e-08
shell4_X4_Y4_Z-3_mono2_fix1//test20tig_AVDZ_AVQZfit/ DONE 36.127756756095664 1 1.0 0.0 -7.60458000570452e-07 7.45789999201385e-08 -7.639790027269555e-07 8.442499999095077e-08
shell4_X4_Y-3_Z4_mono1_fix1//test20tig_AVDZ_AVQZfit/ DONE 36.127756756095664 1 1.0 0.0 -7.60458000570452e-07 7.45789999201385e-08 -7.639790027269555e-07 8.442499999095077e-08
shell4_X3_Y4_Z4_mono3_fix1//test20tig_AVDZ_AVQZfit/ DONE 36.21238690053291 1 1.0 0.0 5.228629973430543e-07 -4.659799995865299e-08 5.253569881347175e-07 -5.295099997359998e-08
shell4_X4_Y3_Z4_mono1_fix1//test20tig_AVDZ_AVQZfit/ DONE 36.21238690053291 1 1.0 0.0 5.228629973430543e-07 -4.659799995865299e-08 5.253569881347175e-07 -5.295099997359998e-08
shell4_X4_Y4_Z3_mono2_fix1//test20tig_AVDZ_AVQZfit/ DONE 36.21238690053291 1 1.0 0.0 5.228629973430543e-07 -4.659799995865299e-08 5.253569881347175e-07 -5.295099997359998e-08
shell4_X-4_Y4_Z4_mono3_fix1//test20tig_AVDZ_AVQZfit/ DONE 38.580628733556466 1 1.0 0.0 -6.524570110855166e-07 6.155799997520361e-08 -6.558409992862835e-07 6.969400001555215e-08
shell4_X4_Y-4_Z4_mono1_fix1//test20tig_AVDZ_AVQZfit/ DONE 38.580628733556466 1 1.0 0.0 -6.524570110855166e-07 6.155799997520361e-08 -6.558409992862835e-07 6.969400001555215e-08
shell4_X4_Y4_Z-4_mono2_fix1//test20tig_AVDZ_AVQZfit/ DONE 38.580628733556466 1 1.0 0.0 -6.524570110855166e-07 6.155799997520361e-08 -6.558409992862835e-07 6.969400001555215e-08
shell4_X4_Y4_Z4_mono2_fix1//test20tig_AVDZ_AVQZfit/ DONE 38.68581773335916 1 1.0 0.0 5.825050024554912e-07 -5.43989999712835e-08 5.849999951124119e-07 -6.179100001113547e-08
shell4_X4_Y4_Z4_mono3_fix1//test20tig_AVDZ_AVQZfit/ DONE 38.68581773335916 1 1.0 0.0 5.825050024554912e-07 -5.43989999712835e-08 5.849999951124119e-07 -6.179100001113547e-08
shell4_X4_Y4_Z4_mono1_fix1//test20tig_AVDZ_AVQZfit/ DONE 38.68581773335916 1 1.0 0.0 5.825050024554912e-07 -5.43989999712835e-08 5.849999951124119e-07 -6.179100001113547e-08
