shell1_X0_Y0_Z-1_mono1_fix1//test20tig_AVDZ_AVQZfit/ DONE 3.680159919816024 1 1.0 0.0 -0.0021679042209967747 -0.0018478296309999975 -0.0021200455869987422 -0.0014388300420000444
shell1_X0_Y-1_Z0_mono3_fix1//test20tig_AVDZ_AVQZfit/ DONE 3.680159919816024 1 1.0 0.0 -0.0021679042209967747 -0.0018478296309999975 -0.0021200455869987422 -0.0014388300420000444
shell1_X0_Y-1_Z-1_mono3_fix1//test20tig_AVDZ_AVQZfit/ DONE 3.680159919816024 1 1.0 0.0 -0.0021679042209967747 -0.0018478296309999975 -0.0021200455869987422 -0.0014388300420000444
shell1_X-1_Y0_Z0_mono2_fix1//test20tig_AVDZ_AVQZfit/ DONE 3.680159919816024 1 1.0 0.0 -0.0021679042209967747 -0.0018478296309999975 -0.0021200455869987422 -0.0014388300420000444
shell1_X-1_Y0_Z-1_mono1_fix1//test20tig_AVDZ_AVQZfit/ DONE 3.680159919816024 1 1.0 0.0 -0.0021679042209967747 -0.0018478296309999975 -0.0021200455869987422 -0.0014388300420000444
shell1_X-1_Y-1_Z0_mono2_fix1//test20tig_AVDZ_AVQZfit/ DONE 3.680159919816024 1 1.0 0.0 -0.0021679042209967747 -0.0018478296309999975 -0.0021200455869987422 -0.0014388300420000444
shell1_X0_Y0_Z-1_mono3_fix1//test20tig_AVDZ_AVQZfit/ DONE 3.82265354358343 1 1.0 0.0 0.0007842664929924581 -0.0007500974930000348 0.0007824501650048887 -0.0006650011700000125
shell1_X-1_Y0_Z0_mono1_fix1//test20tig_AVDZ_AVQZfit/ DONE 3.82265354358343 1 1.0 0.0 0.0007842664929924581 -0.0007500974930000348 0.0007824501650048887 -0.0006650011700000125
shell1_X0_Y-1_Z0_mono2_fix1//test20tig_AVDZ_AVQZfit/ DONE 3.82265354358343 1 1.0 0.0 0.0007842664929924581 -0.0007500974930000348 0.0007824501650048887 -0.0006650011700000125
shell1_X0_Y0_Z1_mono0_fix1//test20tig_AVDZ_AVQZfit/ DONE 5.217106832951 1 1.0 0.0 -0.00015639375300224856 -0.00013157084199999503 -0.0001563486960023397 -0.00012791232699999044
shell1_X0_Y-1_Z0_mono0_fix1//test20tig_AVDZ_AVQZfit/ DONE 5.217106832951 1 1.0 0.0 -0.00015639375300224856 -0.00013157084199999503 -0.0001563486960023397 -0.00012791232699999044
shell1_X0_Y0_Z-1_mono0_fix1//test20tig_AVDZ_AVQZfit/ DONE 5.217106832951 1 1.0 0.0 -0.00015639375300224856 -0.00013157084199999503 -0.0001563486960023397 -0.00012791232699999044
shell1_X0_Y1_Z0_mono0_fix1//test20tig_AVDZ_AVQZfit/ DONE 5.217106832951 1 1.0 0.0 -0.00015639375300224856 -0.00013157084199999503 -0.0001563486960023397 -0.00012791232699999044
shell1_X-1_Y0_Z0_mono0_fix1//test20tig_AVDZ_AVQZfit/ DONE 5.217106832951 1 1.0 0.0 -0.00015639375300224856 -0.00013157084199999503 -0.0001563486960023397 -0.00012791232699999044
shell1_X1_Y0_Z0_mono0_fix1//test20tig_AVDZ_AVQZfit/ DONE 5.217106832951 1 1.0 0.0 -0.00015639375300224856 -0.00013157084199999503 -0.0001563486960023397 -0.00012791232699999044
shell1_X0_Y-1_Z-1_mono1_fix1//test20tig_AVDZ_AVQZfit/ DONE 6.248973180342696 1 1.0 0.0 0.00033908273899641017 -6.872648099998102e-05 0.00033914968099679754 -7.351177600001257e-05
shell1_X-1_Y-1_Z-1_mono1_fix1//test20tig_AVDZ_AVQZfit/ DONE 6.248973180342696 1 1.0 0.0 0.00033908273899641017 -6.872648099998102e-05 0.00033914968099679754 -7.351177600001257e-05
shell1_X-1_Y0_Z-1_mono2_fix1//test20tig_AVDZ_AVQZfit/ DONE 6.248973180342696 1 1.0 0.0 0.00033908273899641017 -6.872648099998102e-05 0.00033914968099679754 -7.351177600001257e-05
shell1_X-1_Y-1_Z0_mono3_fix1//test20tig_AVDZ_AVQZfit/ DONE 6.248973180342696 1 1.0 0.0 0.00033908273899641017 -6.872648099998102e-05 0.00033914968099679754 -7.351177600001257e-05
shell1_X-1_Y-1_Z-1_mono2_fix1//test20tig_AVDZ_AVQZfit/ DONE 6.248973180342696 1 1.0 0.0 0.00033908273899641017 -6.872648099998102e-05 0.00033914968099679754 -7.351177600001257e-05
shell1_X-1_Y-1_Z-1_mono3_fix1//test20tig_AVDZ_AVQZfit/ DONE 6.248973180342696 1 1.0 0.0 0.00033908273899641017 -6.872648099998102e-05 0.00033914968099679754 -7.351177600001257e-05
shell1_X0_Y-1_Z-1_mono2_fix1//test20tig_AVDZ_AVQZfit/ DONE 6.304700951572119 1 1.0 0.0 -0.00019784519400900535 -2.606409400007781e-05 -0.0001973354849980069 -2.3230043000005418e-05
shell1_X0_Y0_Z-1_mono2_fix1//test20tig_AVDZ_AVQZfit/ DONE 6.304700951572119 1 1.0 0.0 -0.00019784519400900535 -2.606409400007781e-05 -0.0001973354849980069 -2.3230043000005418e-05
shell1_X-1_Y0_Z0_mono3_fix1//test20tig_AVDZ_AVQZfit/ DONE 6.304700951572119 1 1.0 0.0 -0.00019784519400900535 -2.606409400007781e-05 -0.0001973354849980069 -2.3230043000005418e-05
shell1_X-1_Y0_Z-1_mono3_fix1//test20tig_AVDZ_AVQZfit/ DONE 6.304700951572119 1 1.0 0.0 -0.00019784519400900535 -2.606409400007781e-05 -0.0001973354849980069 -2.3230043000005418e-05
shell1_X0_Y-1_Z0_mono1_fix1//test20tig_AVDZ_AVQZfit/ DONE 6.304700951572119 1 1.0 0.0 -0.00019784519400900535 -2.606409400007781e-05 -0.0001973354849980069 -2.3230043000005418e-05
shell1_X-1_Y-1_Z0_mono1_fix1//test20tig_AVDZ_AVQZfit/ DONE 6.304700951572119 1 1.0 0.0 -0.00019784519400900535 -2.606409400007781e-05 -0.0001973354849980069 -2.3230043000005418e-05
shell1_X-1_Y-1_Z1_mono2_fix1//test20tig_AVDZ_AVQZfit/ DONE 6.385465089697607 1 1.0 0.0 1.5223748995651931e-05 -2.3103296000026585e-05 1.65678809977976e-05 -2.2322614999986667e-05
shell1_X-1_Y1_Z-1_mono1_fix1//test20tig_AVDZ_AVQZfit/ DONE 6.385465089697607 1 1.0 0.0 1.5223748995651931e-05 -2.3103296000026585e-05 1.65678809977976e-05 -2.2322614999986667e-05
shell1_X0_Y1_Z-1_mono1_fix1//test20tig_AVDZ_AVQZfit/ DONE 6.385465089697607 1 1.0 0.0 1.5223748995651931e-05 -2.3103296000026585e-05 1.65678809977976e-05 -2.2322614999986667e-05
shell1_X-1_Y0_Z1_mono2_fix1//test20tig_AVDZ_AVQZfit/ DONE 6.385465089697607 1 1.0 0.0 1.5223748995651931e-05 -2.3103296000026585e-05 1.65678809977976e-05 -2.2322614999986667e-05
shell1_X1_Y-1_Z0_mono3_fix1//test20tig_AVDZ_AVQZfit/ DONE 6.385465089697607 1 1.0 0.0 1.5223748995651931e-05 -2.3103296000026585e-05 1.65678809977976e-05 -2.2322614999986667e-05
shell1_X1_Y-1_Z-1_mono3_fix1//test20tig_AVDZ_AVQZfit/ DONE 6.385465089697607 1 1.0 0.0 1.5223748995651931e-05 -2.3103296000026585e-05 1.65678809977976e-05 -2.2322614999986667e-05
shell1_X0_Y0_Z1_mono2_fix1//test20tig_AVDZ_AVQZfit/ DONE 6.480035993823138 1 1.0 0.0 0.00012243053000560167 -4.2399977000007194e-05 0.00012329162299096197 -4.4485749999989554e-05
shell1_X0_Y1_Z0_mono1_fix1//test20tig_AVDZ_AVQZfit/ DONE 6.480035993823138 1 1.0 0.0 0.00012243053000560167 -4.2399977000007194e-05 0.00012329162299096197 -4.4485749999989554e-05
shell1_X-1_Y1_Z0_mono1_fix1//test20tig_AVDZ_AVQZfit/ DONE 6.480035993823138 1 1.0 0.0 0.00012243053000560167 -4.2399977000007194e-05 0.00012329162299096197 -4.4485749999989554e-05
shell1_X0_Y-1_Z1_mono2_fix1//test20tig_AVDZ_AVQZfit/ DONE 6.480035993823138 1 1.0 0.0 0.00012243053000560167 -4.2399977000007194e-05 0.00012329162299096197 -4.4485749999989554e-05
shell1_X1_Y0_Z0_mono3_fix1//test20tig_AVDZ_AVQZfit/ DONE 6.480035993823138 1 1.0 0.0 0.00012243053000560167 -4.2399977000007194e-05 0.00012329162299096197 -4.4485749999989554e-05
shell1_X1_Y0_Z-1_mono3_fix1//test20tig_AVDZ_AVQZfit/ DONE 6.480035993823138 1 1.0 0.0 0.00012243053000560167 -4.2399977000007194e-05 0.00012329162299096197 -4.4485749999989554e-05
shell1_X0_Y1_Z-1_mono0_fix1//test20tig_AVDZ_AVQZfit/ DONE 7.303103713627025 1 1.0 0.0 0.00017566293300319558 -2.4751870999983883e-05 0.00017674129401257233 -2.671526100000987e-05
shell1_X1_Y0_Z-1_mono0_fix1//test20tig_AVDZ_AVQZfit/ DONE 7.303103713627025 1 1.0 0.0 0.00017566293300319558 -2.4751870999983883e-05 0.00017674129401257233 -2.671526100000987e-05
shell1_X-1_Y1_Z0_mono0_fix1//test20tig_AVDZ_AVQZfit/ DONE 7.303103713627025 1 1.0 0.0 0.00017566293300319558 -2.4751870999983883e-05 0.00017674129401257233 -2.671526100000987e-05
shell1_X1_Y-1_Z0_mono0_fix1//test20tig_AVDZ_AVQZfit/ DONE 7.303103713627025 1 1.0 0.0 0.00017566293300319558 -2.4751870999983883e-05 0.00017674129401257233 -2.671526100000987e-05
shell1_X0_Y-1_Z1_mono0_fix1//test20tig_AVDZ_AVQZfit/ DONE 7.303103713627025 1 1.0 0.0 0.00017566293300319558 -2.4751870999983883e-05 0.00017674129401257233 -2.671526100000987e-05
shell1_X-1_Y0_Z1_mono0_fix1//test20tig_AVDZ_AVQZfit/ DONE 7.303103713627025 1 1.0 0.0 0.00017566293300319558 -2.4751870999983883e-05 0.00017674129401257233 -2.671526100000987e-05
shell1_X1_Y0_Z1_mono0_fix1//test20tig_AVDZ_AVQZfit/ DONE 7.329992863852058 1 1.0 0.0 -0.00016643617698974822 3.9796799999880506e-07 -0.00016715755700857926 2.4041529999851985e-06
shell1_X0_Y-1_Z-1_mono0_fix1//test20tig_AVDZ_AVQZfit/ DONE 7.329992863852058 1 1.0 0.0 -0.00016643617698974822 3.9796799999880506e-07 -0.00016715755700857926 2.4041529999851985e-06
shell1_X-1_Y0_Z-1_mono0_fix1//test20tig_AVDZ_AVQZfit/ DONE 7.329992863852058 1 1.0 0.0 -0.00016643617698974822 3.9796799999880506e-07 -0.00016715755700857926 2.4041529999851985e-06
shell1_X1_Y1_Z0_mono0_fix1//test20tig_AVDZ_AVQZfit/ DONE 7.329992863852058 1 1.0 0.0 -0.00016643617698974822 3.9796799999880506e-07 -0.00016715755700857926 2.4041529999851985e-06
shell1_X0_Y1_Z1_mono0_fix1//test20tig_AVDZ_AVQZfit/ DONE 7.329992863852058 1 1.0 0.0 -0.00016643617698974822 3.9796799999880506e-07 -0.00016715755700857926 2.4041529999851985e-06
shell1_X-1_Y-1_Z0_mono0_fix1//test20tig_AVDZ_AVQZfit/ DONE 7.329992863852058 1 1.0 0.0 -0.00016643617698974822 3.9796799999880506e-07 -0.00016715755700857926 2.4041529999851985e-06
shell1_X0_Y-1_Z1_mono3_fix1//test20tig_AVDZ_AVQZfit/ DONE 8.136563857969453 1 1.0 0.0 -0.00015860058999805915 6.307298000052253e-06 -0.00015904088300544572 8.358228999999495e-06
shell1_X1_Y0_Z-1_mono1_fix1//test20tig_AVDZ_AVQZfit/ DONE 8.136563857969453 1 1.0 0.0 -0.00015860058999805915 6.307298000052253e-06 -0.00015904088300544572 8.358228999999495e-06
shell1_X-1_Y1_Z0_mono2_fix1//test20tig_AVDZ_AVQZfit/ DONE 8.136563857969453 1 1.0 0.0 -0.00015860058999805915 6.307298000052253e-06 -0.00015904088300544572 8.358228999999495e-06
shell1_X0_Y0_Z1_mono3_fix1//test20tig_AVDZ_AVQZfit/ DONE 8.198622256307068 1 1.0 0.0 -5.7645625005875445e-05 4.31580600002146e-06 -5.7369174996324546e-05 5.568038999981262e-06
shell1_X1_Y0_Z0_mono1_fix1//test20tig_AVDZ_AVQZfit/ DONE 8.198622256307068 1 1.0 0.0 -5.7645625005875445e-05 4.31580600002146e-06 -5.7369174996324546e-05 5.568038999981262e-06
shell1_X0_Y1_Z0_mono2_fix1//test20tig_AVDZ_AVQZfit/ DONE 8.198622256307068 1 1.0 0.0 -5.7645625005875445e-05 4.31580600002146e-06 -5.7369174996324546e-05 5.568038999981262e-06
shell1_X1_Y-1_Z0_mono2_fix1//test20tig_AVDZ_AVQZfit/ DONE 8.25851173488032 1 1.0 0.0 5.3597076004052724e-05 -1.0461408000039807e-05 5.388197700284536e-05 -1.1167671999989803e-05
shell1_X0_Y0_Z1_mono1_fix1//test20tig_AVDZ_AVQZfit/ DONE 8.25851173488032 1 1.0 0.0 5.3597076004052724e-05 -1.0461408000039807e-05 5.388197700284536e-05 -1.1167671999989803e-05
shell1_X0_Y1_Z0_mono3_fix1//test20tig_AVDZ_AVQZfit/ DONE 8.25851173488032 1 1.0 0.0 5.3597076004052724e-05 -1.0461408000039807e-05 5.388197700284536e-05 -1.1167671999989803e-05
shell1_X0_Y1_Z-1_mono3_fix1//test20tig_AVDZ_AVQZfit/ DONE 8.25851173488032 1 1.0 0.0 5.3597076004052724e-05 -1.0461408000039807e-05 5.388197700284536e-05 -1.1167671999989803e-05
shell1_X1_Y0_Z0_mono2_fix1//test20tig_AVDZ_AVQZfit/ DONE 8.25851173488032 1 1.0 0.0 5.3597076004052724e-05 -1.0461408000039807e-05 5.388197700284536e-05 -1.1167671999989803e-05
shell1_X-1_Y0_Z1_mono1_fix1//test20tig_AVDZ_AVQZfit/ DONE 8.25851173488032 1 1.0 0.0 5.3597076004052724e-05 -1.0461408000039807e-05 5.388197700284536e-05 -1.1167671999989803e-05
shell1_X-1_Y1_Z1_mono0_fix1//test20tig_AVDZ_AVQZfit/ DONE 8.928728830651423 1 1.0 0.0 5.169593099907388e-05 -8.562466999983975e-06 5.199233700636796e-05 -9.174549999990678e-06
shell1_X1_Y-1_Z-1_mono0_fix1//test20tig_AVDZ_AVQZfit/ DONE 8.928728830651423 1 1.0 0.0 5.169593099907388e-05 -8.562466999983975e-06 5.199233700636796e-05 -9.174549999990678e-06
shell1_X-1_Y-1_Z1_mono0_fix1//test20tig_AVDZ_AVQZfit/ DONE 8.928728830651423 1 1.0 0.0 5.169593099907388e-05 -8.562466999983975e-06 5.199233700636796e-05 -9.174549999990678e-06
shell1_X-1_Y1_Z-1_mono0_fix1//test20tig_AVDZ_AVQZfit/ DONE 8.928728830651423 1 1.0 0.0 5.169593099907388e-05 -8.562466999983975e-06 5.199233700636796e-05 -9.174549999990678e-06
shell1_X1_Y-1_Z1_mono0_fix1//test20tig_AVDZ_AVQZfit/ DONE 8.928728830651423 1 1.0 0.0 5.169593099907388e-05 -8.562466999983975e-06 5.199233700636796e-05 -9.174549999990678e-06
shell1_X1_Y1_Z-1_mono0_fix1//test20tig_AVDZ_AVQZfit/ DONE 8.928728830651423 1 1.0 0.0 5.169593099907388e-05 -8.562466999983975e-06 5.199233700636796e-05 -9.174549999990678e-06
shell1_X-1_Y-1_Z-1_mono0_fix1//test20tig_AVDZ_AVQZfit/ DONE 8.95783983885648 1 1.0 0.0 -0.0001318880300118508 1.2831200000007481e-05 -0.00013245516201010332 1.458278800001156e-05
shell1_X1_Y1_Z1_mono0_fix1//test20tig_AVDZ_AVQZfit/ DONE 8.95783983885648 1 1.0 0.0 -0.0001318880300118508 1.2831200000007481e-05 -0.00013245516201010332 1.458278800001156e-05
shell1_X-1_Y1_Z-1_mono2_fix1//test20tig_AVDZ_AVQZfit/ DONE 9.571727231438562 1 1.0 0.0 -6.371180400321919e-05 1.6748999998039693e-07 -6.462951699859332e-05 3.9752300001749674e-07
shell1_X-1_Y-1_Z1_mono3_fix1//test20tig_AVDZ_AVQZfit/ DONE 9.571727231438562 1 1.0 0.0 -6.371180400321919e-05 1.6748999998039693e-07 -6.462951699859332e-05 3.9752300001749674e-07
shell1_X1_Y-1_Z-1_mono1_fix1//test20tig_AVDZ_AVQZfit/ DONE 9.571727231438562 1 1.0 0.0 -6.371180400321919e-05 1.6748999998039693e-07 -6.462951699859332e-05 3.9752300001749674e-07
shell1_X0_Y1_Z-1_mono2_fix1//test20tig_AVDZ_AVQZfit/ DONE 9.617612392908283 1 1.0 0.0 -7.223932200872696e-05 3.624489999964897e-06 -7.2606182989432e-05 4.493381000003627e-06
shell1_X1_Y-1_Z0_mono1_fix1//test20tig_AVDZ_AVQZfit/ DONE 9.617612392908283 1 1.0 0.0 -7.223932200872696e-05 3.624489999964897e-06 -7.2606182989432e-05 4.493381000003627e-06
shell1_X-1_Y0_Z1_mono3_fix1//test20tig_AVDZ_AVQZfit/ DONE 9.617612392908283 1 1.0 0.0 -7.223932200872696e-05 3.624489999964897e-06 -7.2606182989432e-05 4.493381000003627e-06
shell1_X0_Y-1_Z1_mono1_fix1//test20tig_AVDZ_AVQZfit/ DONE 9.661320198675062 1 1.0 0.0 -2.4067470008048986e-06 -7.301579999507979e-07 -2.4377109966167154e-06 -6.681170000022441e-07
shell1_X-1_Y-1_Z1_mono1_fix1//test20tig_AVDZ_AVQZfit/ DONE 9.661320198675062 1 1.0 0.0 -2.4067470008048986e-06 -7.301579999507979e-07 -2.4377109966167154e-06 -6.681170000022441e-07
shell1_X-1_Y1_Z0_mono3_fix1//test20tig_AVDZ_AVQZfit/ DONE 9.661320198675062 1 1.0 0.0 -2.4067470008048986e-06 -7.301579999507979e-07 -2.4377109966167154e-06 -6.681170000022441e-07
shell1_X1_Y-1_Z-1_mono2_fix1//test20tig_AVDZ_AVQZfit/ DONE 9.661320198675062 1 1.0 0.0 -2.4067470008048986e-06 -7.301579999507979e-07 -2.4377109966167154e-06 -6.681170000022441e-07
shell1_X-1_Y1_Z-1_mono3_fix1//test20tig_AVDZ_AVQZfit/ DONE 9.661320198675062 1 1.0 0.0 -2.4067470008048986e-06 -7.301579999507979e-07 -2.4377109966167154e-06 -6.681170000022441e-07
shell1_X1_Y0_Z-1_mono2_fix1//test20tig_AVDZ_AVQZfit/ DONE 9.661320198675062 1 1.0 0.0 -2.4067470008048986e-06 -7.301579999507979e-07 -2.4377109966167154e-06 -6.681170000022441e-07
shell1_X1_Y-1_Z1_mono3_fix1//test20tig_AVDZ_AVQZfit/ DONE 9.667152502401356 1 1.0 0.0 -3.07087759949809e-05 2.6040090000400973e-06 -3.077349100522042e-05 3.1116490000204777e-06
shell1_X1_Y1_Z-1_mono1_fix1//test20tig_AVDZ_AVQZfit/ DONE 9.667152502401356 1 1.0 0.0 -3.07087759949809e-05 2.6040090000400973e-06 -3.077349100522042e-05 3.1116490000204777e-06
shell1_X-1_Y1_Z1_mono2_fix1//test20tig_AVDZ_AVQZfit/ DONE 9.667152502401356 1 1.0 0.0 -3.07087759949809e-05 2.6040090000400973e-06 -3.077349100522042e-05 3.1116490000204777e-06
shell1_X1_Y1_Z0_mono1_fix1//test20tig_AVDZ_AVQZfit/ DONE 9.7241486162439 1 1.0 0.0 7.778823999160522e-06 -1.5935339999773035e-06 7.84574199741428e-06 -1.6375430000048485e-06
shell1_X0_Y1_Z1_mono2_fix1//test20tig_AVDZ_AVQZfit/ DONE 9.7241486162439 1 1.0 0.0 7.778823999160522e-06 -1.5935339999773035e-06 7.84574199741428e-06 -1.6375430000048485e-06
shell1_X1_Y0_Z1_mono3_fix1//test20tig_AVDZ_AVQZfit/ DONE 9.7241486162439 1 1.0 0.0 7.778823999160522e-06 -1.5935339999773035e-06 7.84574199741428e-06 -1.6375430000048485e-06
shell1_X1_Y0_Z1_mono2_fix1//test20tig_AVDZ_AVQZfit/ DONE 9.78108176481778 1 1.0 0.0 5.099455199797376e-05 -8.256189999999997e-06 5.11224349963868e-05 -9.047721999999592e-06
shell1_X0_Y1_Z1_mono1_fix1//test20tig_AVDZ_AVQZfit/ DONE 9.78108176481778 1 1.0 0.0 5.099455199797376e-05 -8.256189999999997e-06 5.11224349963868e-05 -9.047721999999592e-06
shell1_X1_Y1_Z0_mono3_fix1//test20tig_AVDZ_AVQZfit/ DONE 9.78108176481778 1 1.0 0.0 5.099455199797376e-05 -8.256189999999997e-06 5.11224349963868e-05 -9.047721999999592e-06
shell1_X-1_Y1_Z1_mono1_fix1//test20tig_AVDZ_AVQZfit/ DONE 9.78108176481778 1 1.0 0.0 5.099455199797376e-05 -8.256189999999997e-06 5.11224349963868e-05 -9.047721999999592e-06
shell1_X1_Y-1_Z1_mono2_fix1//test20tig_AVDZ_AVQZfit/ DONE 9.78108176481778 1 1.0 0.0 5.099455199797376e-05 -8.256189999999997e-06 5.11224349963868e-05 -9.047721999999592e-06
shell1_X1_Y1_Z-1_mono3_fix1//test20tig_AVDZ_AVQZfit/ DONE 9.78108176481778 1 1.0 0.0 5.099455199797376e-05 -8.256189999999997e-06 5.11224349963868e-05 -9.047721999999592e-06
shell1_X0_Y1_Z1_mono3_fix1//test20tig_AVDZ_AVQZfit/ DONE 10.99302775400353 1 1.0 0.0 4.2339900119259255e-07 -1.6546000003447858e-07 5.464439993829728e-07 -6.063100002617894e-08
shell1_X1_Y0_Z1_mono1_fix1//test20tig_AVDZ_AVQZfit/ DONE 10.99302775400353 1 1.0 0.0 4.2339900119259255e-07 -1.6546000003447858e-07 5.464439993829728e-07 -6.063100002617894e-08
shell1_X1_Y1_Z0_mono2_fix1//test20tig_AVDZ_AVQZfit/ DONE 10.99302775400353 1 1.0 0.0 4.2339900119259255e-07 -1.6546000003447858e-07 5.464439993829728e-07 -6.063100002617894e-08
shell1_X1_Y-1_Z1_mono1_fix1//test20tig_AVDZ_AVQZfit/ DONE 12.085817787625864 1 1.0 0.0 -1.6543583996053712e-05 1.3958980000228216e-06 -1.653389499978175e-05 1.6796829999943252e-06
shell1_X-1_Y1_Z1_mono3_fix1//test20tig_AVDZ_AVQZfit/ DONE 12.085817787625864 1 1.0 0.0 -1.6543583996053712e-05 1.3958980000228216e-06 -1.653389499978175e-05 1.6796829999943252e-06
shell1_X1_Y1_Z-1_mono2_fix1//test20tig_AVDZ_AVQZfit/ DONE 12.085817787625864 1 1.0 0.0 -1.6543583996053712e-05 1.3958980000228216e-06 -1.653389499978175e-05 1.6796829999943252e-06
shell1_X1_Y1_Z1_mono3_fix1//test20tig_AVDZ_AVQZfit/ DONE 12.175821068665913 1 1.0 0.0 1.4705710000839645e-05 -1.9037419999867744e-06 1.4779085994121033e-05 -2.088700000013599e-06
shell1_X1_Y1_Z1_mono1_fix1//test20tig_AVDZ_AVQZfit/ DONE 12.175821068665913 1 1.0 0.0 1.4705710000839645e-05 -1.9037419999867744e-06 1.4779085994121033e-05 -2.088700000013599e-06
shell1_X1_Y1_Z1_mono2_fix1//test20tig_AVDZ_AVQZfit/ DONE 12.175821068665913 1 1.0 0.0 1.4705710000839645e-05 -1.9037419999867744e-06 1.4779085994121033e-05 -2.088700000013599e-06
