shell3_X0_Y0_Z-3_mono1_fix1//test20tig_AVDZ_AVQZfit/ DONE 13.020338403749127 1 1.0 0.0 1.3456070995232494e-05 -1.7308340000132816e-06 1.3474926994661018e-05 -1.940843999986841e-06
shell3_X0_Y-3_Z0_mono3_fix1//test20tig_AVDZ_AVQZfit/ DONE 13.020338403749127 1 1.0 0.0 1.3456070995232494e-05 -1.7308340000132816e-06 1.3474926994661018e-05 -1.940843999986841e-06
shell3_X-1_Y0_Z-3_mono1_fix1//test20tig_AVDZ_AVQZfit/ DONE 13.020338403749127 1 1.0 0.0 1.3456070995232494e-05 -1.7308340000132816e-06 1.3474926994661018e-05 -1.940843999986841e-06
shell3_X-3_Y0_Z0_mono2_fix1//test20tig_AVDZ_AVQZfit/ DONE 13.020338403749127 1 1.0 0.0 1.3456070995232494e-05 -1.7308340000132816e-06 1.3474926994661018e-05 -1.940843999986841e-06
shell3_X0_Y-3_Z-1_mono3_fix1//test20tig_AVDZ_AVQZfit/ DONE 13.020338403749127 1 1.0 0.0 1.3456070995232494e-05 -1.7308340000132816e-06 1.3474926994661018e-05 -1.940843999986841e-06
shell3_X-3_Y-1_Z0_mono2_fix1//test20tig_AVDZ_AVQZfit/ DONE 13.020338403749127 1 1.0 0.0 1.3456070995232494e-05 -1.7308340000132816e-06 1.3474926994661018e-05 -1.940843999986841e-06
shell3_X0_Y-1_Z-3_mono3_fix1//test20tig_AVDZ_AVQZfit/ DONE 13.095758570292944 1 1.0 0.0 -3.449936800592468e-05 2.797090000006275e-06 -3.465830699411754e-05 3.2289500000171056e-06
shell3_X-3_Y0_Z-1_mono1_fix1//test20tig_AVDZ_AVQZfit/ DONE 13.095758570292944 1 1.0 0.0 -3.449936800592468e-05 2.797090000006275e-06 -3.465830699411754e-05 3.2289500000171056e-06
shell3_X-1_Y-3_Z0_mono2_fix1//test20tig_AVDZ_AVQZfit/ DONE 13.095758570292944 1 1.0 0.0 -3.449936800592468e-05 2.797090000006275e-06 -3.465830699411754e-05 3.2289500000171056e-06
shell3_X0_Y-3_Z0_mono2_fix1//test20tig_AVDZ_AVQZfit/ DONE 13.133749906811236 1 1.0 0.0 -2.4472115001117345e-05 2.5066219999647643e-06 -2.4527799993734334e-05 2.875011000019745e-06
shell3_X0_Y0_Z-3_mono3_fix1//test20tig_AVDZ_AVQZfit/ DONE 13.133749906811236 1 1.0 0.0 -2.4472115001117345e-05 2.5066219999647643e-06 -2.4527799993734334e-05 2.875011000019745e-06
shell3_X-3_Y0_Z0_mono1_fix1//test20tig_AVDZ_AVQZfit/ DONE 13.133749906811236 1 1.0 0.0 -2.4472115001117345e-05 2.5066219999647643e-06 -2.4527799993734334e-05 2.875011000019745e-06
shell3_X0_Y-1_Z-3_mono1_fix1//test20tig_AVDZ_AVQZfit/ DONE 13.964090693603584 1 1.0 0.0 3.4259278997694764e-05 -2.8360339999755624e-06 3.4501902000272366e-05 -3.184001000022807e-06
shell3_X-1_Y-1_Z-3_mono1_fix1//test20tig_AVDZ_AVQZfit/ DONE 13.964090693603584 1 1.0 0.0 3.4259278997694764e-05 -2.8360339999755624e-06 3.4501902000272366e-05 -3.184001000022807e-06
shell3_X-3_Y0_Z-1_mono2_fix1//test20tig_AVDZ_AVQZfit/ DONE 13.964090693603584 1 1.0 0.0 3.4259278997694764e-05 -2.8360339999755624e-06 3.4501902000272366e-05 -3.184001000022807e-06
shell3_X-1_Y-3_Z-1_mono3_fix1//test20tig_AVDZ_AVQZfit/ DONE 13.964090693603584 1 1.0 0.0 3.4259278997694764e-05 -2.8360339999755624e-06 3.4501902000272366e-05 -3.184001000022807e-06
shell3_X-3_Y-1_Z-1_mono2_fix1//test20tig_AVDZ_AVQZfit/ DONE 13.964090693603584 1 1.0 0.0 3.4259278997694764e-05 -2.8360339999755624e-06 3.4501902000272366e-05 -3.184001000022807e-06
shell3_X-1_Y-3_Z0_mono3_fix1//test20tig_AVDZ_AVQZfit/ DONE 13.964090693603584 1 1.0 0.0 3.4259278997694764e-05 -2.8360339999755624e-06 3.4501902000272366e-05 -3.184001000022807e-06
shell3_X0_Y1_Z-3_mono1_fix1//test20tig_AVDZ_AVQZfit/ DONE 14.025590451502893 1 1.0 0.0 -4.810773006624913e-06 -9.499999953366256e-09 -4.890265003609784e-06 1.1489999784952687e-09
shell3_X1_Y-3_Z-1_mono3_fix1//test20tig_AVDZ_AVQZfit/ DONE 14.025590451502893 1 1.0 0.0 -4.810773006624913e-06 -9.499999953366256e-09 -4.890265003609784e-06 1.1489999784952687e-09
shell3_X-1_Y1_Z-3_mono1_fix1//test20tig_AVDZ_AVQZfit/ DONE 14.025590451502893 1 1.0 0.0 -4.810773006624913e-06 -9.499999953366256e-09 -4.890265003609784e-06 1.1489999784952687e-09
shell3_X1_Y-3_Z0_mono3_fix1//test20tig_AVDZ_AVQZfit/ DONE 14.025590451502893 1 1.0 0.0 -4.810773006624913e-06 -9.499999953366256e-09 -4.890265003609784e-06 1.1489999784952687e-09
shell3_X-3_Y0_Z1_mono2_fix1//test20tig_AVDZ_AVQZfit/ DONE 14.025590451502893 1 1.0 0.0 -4.810773006624913e-06 -9.499999953366256e-09 -4.890265003609784e-06 1.1489999784952687e-09
shell3_X-3_Y-1_Z1_mono2_fix1//test20tig_AVDZ_AVQZfit/ DONE 14.025590451502893 1 1.0 0.0 -4.810773006624913e-06 -9.499999953366256e-09 -4.890265003609784e-06 1.1489999784952687e-09
shell3_X-1_Y-1_Z-3_mono3_fix1//test20tig_AVDZ_AVQZfit/ DONE 14.031122329831264 1 1.0 0.0 -2.5793383009897752e-05 1.6378819999718353e-06 -2.5994231002357537e-05 1.8879310000330385e-06
shell3_X-1_Y-3_Z-1_mono2_fix1//test20tig_AVDZ_AVQZfit/ DONE 14.031122329831264 1 1.0 0.0 -2.5793383009897752e-05 1.6378819999718353e-06 -2.5994231002357537e-05 1.8879310000330385e-06
shell3_X-3_Y-1_Z-1_mono1_fix1//test20tig_AVDZ_AVQZfit/ DONE 14.031122329831264 1 1.0 0.0 -2.5793383009897752e-05 1.6378819999718353e-06 -2.5994231002357537e-05 1.8879310000330385e-06
shell3_X-1_Y0_Z-3_mono3_fix1//test20tig_AVDZ_AVQZfit/ DONE 14.06455908402588 1 1.0 0.0 -2.490260899179475e-05 2.0303030000001776e-06 -2.503004199638781e-05 2.3359860000238264e-06
shell3_X-3_Y-1_Z0_mono1_fix1//test20tig_AVDZ_AVQZfit/ DONE 14.06455908402588 1 1.0 0.0 -2.490260899179475e-05 2.0303030000001776e-06 -2.503004199638781e-05 2.3359860000238264e-06
shell3_X0_Y-3_Z-1_mono2_fix1//test20tig_AVDZ_AVQZfit/ DONE 14.06455908402588 1 1.0 0.0 -2.490260899179475e-05 2.0303030000001776e-06 -2.503004199638781e-05 2.3359860000238264e-06
shell3_X-1_Y-3_Z1_mono2_fix1//test20tig_AVDZ_AVQZfit/ DONE 14.098721515841817 1 1.0 0.0 -1.814917700926344e-05 1.8362009999717266e-06 -1.820474699343322e-05 2.096740000012698e-06
shell3_X1_Y-1_Z-3_mono3_fix1//test20tig_AVDZ_AVQZfit/ DONE 14.098721515841817 1 1.0 0.0 -1.814917700926344e-05 1.8362009999717266e-06 -1.820474699343322e-05 2.096740000012698e-06
shell3_X-3_Y1_Z-1_mono1_fix1//test20tig_AVDZ_AVQZfit/ DONE 14.098721515841817 1 1.0 0.0 -1.814917700926344e-05 1.8362009999717266e-06 -1.820474699343322e-05 2.096740000012698e-06
shell3_X1_Y0_Z-3_mono3_fix1//test20tig_AVDZ_AVQZfit/ DONE 14.13571930591036 1 1.0 0.0 -9.01317299906168e-06 1.1427239999806105e-06 -9.017732004679146e-06 1.2992039999937255e-06
shell3_X-3_Y1_Z0_mono1_fix1//test20tig_AVDZ_AVQZfit/ DONE 14.13571930591036 1 1.0 0.0 -9.01317299906168e-06 1.1427239999806105e-06 -9.017732004679146e-06 1.2992039999937255e-06
shell3_X0_Y-3_Z1_mono2_fix1//test20tig_AVDZ_AVQZfit/ DONE 14.13571930591036 1 1.0 0.0 -9.01317299906168e-06 1.1427239999806105e-06 -9.017732004679146e-06 1.2992039999937255e-06
shell3_X-3_Y-2_Z0_mono2_fix1//test20tig_AVDZ_AVQZfit/ DONE 14.905376395810562 1 1.0 0.0 -2.5891280088785606e-06 -2.844040000171688e-07 -2.6332980027632402e-06 -2.8699999998771375e-07
shell3_X0_Y-3_Z1_mono3_fix1//test20tig_AVDZ_AVQZfit/ DONE 14.905376395810562 1 1.0 0.0 -2.5891280088785606e-06 -2.844040000171688e-07 -2.6332980027632402e-06 -2.8699999998771375e-07
shell3_X0_Y-3_Z-2_mono3_fix1//test20tig_AVDZ_AVQZfit/ DONE 14.905376395810562 1 1.0 0.0 -2.5891280088785606e-06 -2.844040000171688e-07 -2.6332980027632402e-06 -2.8699999998771375e-07
shell3_X1_Y0_Z-3_mono1_fix1//test20tig_AVDZ_AVQZfit/ DONE 14.905376395810562 1 1.0 0.0 -2.5891280088785606e-06 -2.844040000171688e-07 -2.6332980027632402e-06 -2.8699999998771375e-07
shell3_X-2_Y0_Z-3_mono1_fix1//test20tig_AVDZ_AVQZfit/ DONE 14.905376395810562 1 1.0 0.0 -2.5891280088785606e-06 -2.844040000171688e-07 -2.6332980027632402e-06 -2.8699999998771375e-07
shell3_X-3_Y1_Z0_mono2_fix1//test20tig_AVDZ_AVQZfit/ DONE 14.905376395810562 1 1.0 0.0 -2.5891280088785606e-06 -2.844040000171688e-07 -2.6332980027632402e-06 -2.8699999998771375e-07
shell3_X-3_Y0_Z-2_mono1_fix1//test20tig_AVDZ_AVQZfit/ DONE 14.938309448311841 1 1.0 0.0 -2.001655700212268e-05 1.2812810000206731e-06 -2.0138258001622944e-05 1.4980599999936395e-06
shell3_X0_Y-2_Z-3_mono3_fix1//test20tig_AVDZ_AVQZfit/ DONE 14.938309448311841 1 1.0 0.0 -2.001655700212268e-05 1.2812810000206731e-06 -2.0138258001622944e-05 1.4980599999936395e-06
shell3_X-2_Y-3_Z0_mono2_fix1//test20tig_AVDZ_AVQZfit/ DONE 14.938309448311841 1 1.0 0.0 -2.001655700212268e-05 1.2812810000206731e-06 -2.0138258001622944e-05 1.4980599999936395e-06
shell3_X-3_Y0_Z1_mono1_fix1//test20tig_AVDZ_AVQZfit/ DONE 15.0375857908391 1 1.0 0.0 -7.913761010058806e-06 9.422340000453389e-07 -7.906588010087034e-06 1.0849850000105299e-06
shell3_X0_Y1_Z-3_mono3_fix1//test20tig_AVDZ_AVQZfit/ DONE 15.0375857908391 1 1.0 0.0 -7.913761010058806e-06 9.422340000453389e-07 -7.906588010087034e-06 1.0849850000105299e-06
shell3_X1_Y-3_Z0_mono2_fix1//test20tig_AVDZ_AVQZfit/ DONE 15.0375857908391 1 1.0 0.0 -7.913761010058806e-06 9.422340000453389e-07 -7.906588010087034e-06 1.0849850000105299e-06
shell3_X0_Y0_Z-3_mono0_fix1//test20tig_AVDZ_AVQZfit/ DONE 15.420252569202743 1 1.0 0.0 -6.184660037433787e-07 -1.7478300001760871e-07 -6.288620113537036e-07 -1.7405999996888966e-07
shell3_X0_Y0_Z3_mono0_fix1//test20tig_AVDZ_AVQZfit/ DONE 15.420252569202743 1 1.0 0.0 -6.184660037433787e-07 -1.7478300001760871e-07 -6.288620113537036e-07 -1.7405999996888966e-07
shell3_X0_Y-3_Z0_mono0_fix1//test20tig_AVDZ_AVQZfit/ DONE 15.420252569202743 1 1.0 0.0 -6.184660037433787e-07 -1.7478300001760871e-07 -6.288620113537036e-07 -1.7405999996888966e-07
shell3_X0_Y3_Z0_mono0_fix1//test20tig_AVDZ_AVQZfit/ DONE 15.420252569202743 1 1.0 0.0 -6.184660037433787e-07 -1.7478300001760871e-07 -6.288620113537036e-07 -1.7405999996888966e-07
shell3_X3_Y0_Z0_mono0_fix1//test20tig_AVDZ_AVQZfit/ DONE 15.420252569202743 1 1.0 0.0 -6.184660037433787e-07 -1.7478300001760871e-07 -6.288620113537036e-07 -1.7405999996888966e-07
shell3_X-3_Y0_Z0_mono0_fix1//test20tig_AVDZ_AVQZfit/ DONE 15.420252569202743 1 1.0 0.0 -6.184660037433787e-07 -1.7478300001760871e-07 -6.288620113537036e-07 -1.7405999996888966e-07
shell3_X0_Y-3_Z-1_mono1_fix1//test20tig_AVDZ_AVQZfit/ DONE 15.734642866005085 1 1.0 0.0 1.4880718005372273e-05 -1.3919140000040464e-06 1.4966533001370408e-05 -1.562440999997028e-06
shell3_X-1_Y-1_Z-3_mono2_fix1//test20tig_AVDZ_AVQZfit/ DONE 15.734642866005085 1 1.0 0.0 1.4880718005372273e-05 -1.3919140000040464e-06 1.4966533001370408e-05 -1.562440999997028e-06
shell3_X-1_Y-3_Z-1_mono1_fix1//test20tig_AVDZ_AVQZfit/ DONE 15.734642866005085 1 1.0 0.0 1.4880718005372273e-05 -1.3919140000040464e-06 1.4966533001370408e-05 -1.562440999997028e-06
shell3_X-3_Y-1_Z-1_mono3_fix1//test20tig_AVDZ_AVQZfit/ DONE 15.734642866005085 1 1.0 0.0 1.4880718005372273e-05 -1.3919140000040464e-06 1.4966533001370408e-05 -1.562440999997028e-06
shell3_X-1_Y0_Z-3_mono2_fix1//test20tig_AVDZ_AVQZfit/ DONE 15.734642866005085 1 1.0 0.0 1.4880718005372273e-05 -1.3919140000040464e-06 1.4966533001370408e-05 -1.562440999997028e-06
shell3_X-3_Y-1_Z0_mono3_fix1//test20tig_AVDZ_AVQZfit/ DONE 15.734642866005085 1 1.0 0.0 1.4880718005372273e-05 -1.3919140000040464e-06 1.4966533001370408e-05 -1.562440999997028e-06
shell3_X1_Y-1_Z-3_mono1_fix1//test20tig_AVDZ_AVQZfit/ DONE 15.735713480814404 1 1.0 0.0 9.705473004828491e-06 -1.0886409999577573e-06 9.750902002281236e-06 -1.211836999970295e-06
shell3_X-1_Y-3_Z-2_mono3_fix1//test20tig_AVDZ_AVQZfit/ DONE 15.735713480814404 1 1.0 0.0 9.705473004828491e-06 -1.0886409999577573e-06 9.750902002281236e-06 -1.211836999970295e-06
shell3_X-2_Y-1_Z-3_mono1_fix1//test20tig_AVDZ_AVQZfit/ DONE 15.735713480814404 1 1.0 0.0 9.705473004828491e-06 -1.0886409999577573e-06 9.750902002281236e-06 -1.211836999970295e-06
shell3_X-1_Y-3_Z1_mono3_fix1//test20tig_AVDZ_AVQZfit/ DONE 15.735713480814404 1 1.0 0.0 9.705473004828491e-06 -1.0886409999577573e-06 9.750902002281236e-06 -1.211836999970295e-06
shell3_X-3_Y1_Z-1_mono2_fix1//test20tig_AVDZ_AVQZfit/ DONE 15.735713480814404 1 1.0 0.0 9.705473004828491e-06 -1.0886409999577573e-06 9.750902002281236e-06 -1.211836999970295e-06
shell3_X-3_Y-2_Z-1_mono2_fix1//test20tig_AVDZ_AVQZfit/ DONE 15.735713480814404 1 1.0 0.0 9.705473004828491e-06 -1.0886409999577573e-06 9.750902002281236e-06 -1.211836999970295e-06
shell3_X-3_Y0_Z0_mono3_fix1//test20tig_AVDZ_AVQZfit/ DONE 15.761683054194426 1 1.0 0.0 1.591576001658268e-06 -4.4411499999785775e-07 1.588800003560209e-06 -4.762950000236632e-07
shell3_X-3_Y0_Z-1_mono3_fix1//test20tig_AVDZ_AVQZfit/ DONE 15.761683054194426 1 1.0 0.0 1.591576001658268e-06 -4.4411499999785775e-07 1.588800003560209e-06 -4.762950000236632e-07
shell3_X0_Y-1_Z-3_mono2_fix1//test20tig_AVDZ_AVQZfit/ DONE 15.761683054194426 1 1.0 0.0 1.591576001658268e-06 -4.4411499999785775e-07 1.588800003560209e-06 -4.762950000236632e-07
shell3_X-1_Y-3_Z0_mono1_fix1//test20tig_AVDZ_AVQZfit/ DONE 15.761683054194426 1 1.0 0.0 1.591576001658268e-06 -4.4411499999785775e-07 1.588800003560209e-06 -4.762950000236632e-07
shell3_X0_Y0_Z-3_mono2_fix1//test20tig_AVDZ_AVQZfit/ DONE 15.761683054194426 1 1.0 0.0 1.591576001658268e-06 -4.4411499999785775e-07 1.588800003560209e-06 -4.762950000236632e-07
shell3_X0_Y-3_Z0_mono1_fix1//test20tig_AVDZ_AVQZfit/ DONE 15.761683054194426 1 1.0 0.0 1.591576001658268e-06 -4.4411499999785775e-07 1.588800003560209e-06 -4.762950000236632e-07
shell3_X-3_Y-1_Z-2_mono1_fix1//test20tig_AVDZ_AVQZfit/ DONE 15.765776216757802 1 1.0 0.0 -1.0871498005826652e-05 4.5580499996589197e-07 -1.0974173001443432e-05 5.402089999773096e-07
shell3_X-1_Y-2_Z-3_mono3_fix1//test20tig_AVDZ_AVQZfit/ DONE 15.765776216757802 1 1.0 0.0 -1.0871498005826652e-05 4.5580499996589197e-07 -1.0974173001443432e-05 5.402089999773096e-07
shell3_X-2_Y-3_Z-1_mono2_fix1//test20tig_AVDZ_AVQZfit/ DONE 15.765776216757802 1 1.0 0.0 -1.0871498005826652e-05 4.5580499996589197e-07 -1.0974173001443432e-05 5.402089999773096e-07
shell3_X1_Y-3_Z1_mono3_fix1//test20tig_AVDZ_AVQZfit/ DONE 15.791776655583815 1 1.0 0.0 -7.882219996702133e-06 4.131919999483813e-07 -7.942779994607463e-06 4.893559999996633e-07
shell3_X-2_Y1_Z-3_mono1_fix1//test20tig_AVDZ_AVQZfit/ DONE 15.791776655583815 1 1.0 0.0 -7.882219996702133e-06 4.131919999483813e-07 -7.942779994607463e-06 4.893559999996633e-07
shell3_X-3_Y1_Z1_mono2_fix1//test20tig_AVDZ_AVQZfit/ DONE 15.791776655583815 1 1.0 0.0 -7.882219996702133e-06 4.131919999483813e-07 -7.942779994607463e-06 4.893559999996633e-07
shell3_X-3_Y-2_Z1_mono2_fix1//test20tig_AVDZ_AVQZfit/ DONE 15.791776655583815 1 1.0 0.0 -7.882219996702133e-06 4.131919999483813e-07 -7.942779994607463e-06 4.893559999996633e-07
shell3_X1_Y1_Z-3_mono1_fix1//test20tig_AVDZ_AVQZfit/ DONE 15.791776655583815 1 1.0 0.0 -7.882219996702133e-06 4.131919999483813e-07 -7.942779994607463e-06 4.893559999996633e-07
shell3_X1_Y-3_Z-2_mono3_fix1//test20tig_AVDZ_AVQZfit/ DONE 15.791776655583815 1 1.0 0.0 -7.882219996702133e-06 4.131919999483813e-07 -7.942779994607463e-06 4.893559999996633e-07
shell3_X1_Y-2_Z-3_mono3_fix1//test20tig_AVDZ_AVQZfit/ DONE 15.82396163002675 1 1.0 0.0 -1.4940827007592361e-05 1.2290010000803875e-06 -1.5009320996739461e-05 1.4165699999957315e-06
shell3_X-2_Y-3_Z1_mono2_fix1//test20tig_AVDZ_AVQZfit/ DONE 15.82396163002675 1 1.0 0.0 -1.4940827007592361e-05 1.2290010000803875e-06 -1.5009320996739461e-05 1.4165699999957315e-06
shell3_X-3_Y1_Z-2_mono1_fix1//test20tig_AVDZ_AVQZfit/ DONE 15.82396163002675 1 1.0 0.0 -1.4940827007592361e-05 1.2290010000803875e-06 -1.5009320996739461e-05 1.4165699999957315e-06
shell3_X1_Y-3_Z-1_mono2_fix1//test20tig_AVDZ_AVQZfit/ DONE 15.85571715145083 1 1.0 0.0 -1.1727008001116701e-05 1.1312049999490092e-06 -1.1756981997734783e-05 1.302176000000932e-06
shell3_X-3_Y-1_Z1_mono1_fix1//test20tig_AVDZ_AVQZfit/ DONE 15.85571715145083 1 1.0 0.0 -1.1727008001116701e-05 1.1312049999490092e-06 -1.1756981997734783e-05 1.302176000000932e-06
shell3_X-1_Y1_Z-3_mono3_fix1//test20tig_AVDZ_AVQZfit/ DONE 15.85571715145083 1 1.0 0.0 -1.1727008001116701e-05 1.1312049999490092e-06 -1.1756981997734783e-05 1.302176000000932e-06
shell3_X-1_Y0_Z3_mono2_fix1//test20tig_AVDZ_AVQZfit/ DONE 15.917640777353318 1 1.0 0.0 5.5136219927476304e-06 -5.348139999750146e-07 5.5577330044798146e-06 -5.896970000085489e-07
shell3_X-1_Y-1_Z3_mono2_fix1//test20tig_AVDZ_AVQZfit/ DONE 15.917640777353318 1 1.0 0.0 5.5136219927476304e-06 -5.348139999750146e-07 5.5577330044798146e-06 -5.896970000085489e-07
shell3_X0_Y3_Z-1_mono1_fix1//test20tig_AVDZ_AVQZfit/ DONE 15.917640777353318 1 1.0 0.0 5.5136219927476304e-06 -5.348139999750146e-07 5.5577330044798146e-06 -5.896970000085489e-07
shell3_X3_Y-1_Z-1_mono3_fix1//test20tig_AVDZ_AVQZfit/ DONE 15.917640777353318 1 1.0 0.0 5.5136219927476304e-06 -5.348139999750146e-07 5.5577330044798146e-06 -5.896970000085489e-07
shell3_X-1_Y3_Z-1_mono1_fix1//test20tig_AVDZ_AVQZfit/ DONE 15.917640777353318 1 1.0 0.0 5.5136219927476304e-06 -5.348139999750146e-07 5.5577330044798146e-06 -5.896970000085489e-07
shell3_X3_Y-1_Z0_mono3_fix1//test20tig_AVDZ_AVQZfit/ DONE 15.917640777353318 1 1.0 0.0 5.5136219927476304e-06 -5.348139999750146e-07 5.5577330044798146e-06 -5.896970000085489e-07
shell3_X1_Y1_Z-3_mono3_fix1//test20tig_AVDZ_AVQZfit/ DONE 15.921396826308033 1 1.0 0.0 -4.7535199598769395e-07 1.648250000374496e-07 -4.559769948286885e-07 1.933399999820562e-07
shell3_X1_Y-3_Z1_mono2_fix1//test20tig_AVDZ_AVQZfit/ DONE 15.921396826308033 1 1.0 0.0 -4.7535199598769395e-07 1.648250000374496e-07 -4.559769948286885e-07 1.933399999820562e-07
shell3_X-3_Y1_Z1_mono1_fix1//test20tig_AVDZ_AVQZfit/ DONE 15.921396826308033 1 1.0 0.0 -4.7535199598769395e-07 1.648250000374496e-07 -4.559769948286885e-07 1.933399999820562e-07
shell3_X0_Y-1_Z3_mono2_fix1//test20tig_AVDZ_AVQZfit/ DONE 15.952171220438583 1 1.0 0.0 1.1244819994260524e-05 -1.2493370000754567e-06 1.1288201001491416e-05 -1.401650000010246e-06
shell3_X0_Y3_Z0_mono1_fix1//test20tig_AVDZ_AVQZfit/ DONE 15.952171220438583 1 1.0 0.0 1.1244819994260524e-05 -1.2493370000754567e-06 1.1288201001491416e-05 -1.401650000010246e-06
shell3_X-1_Y3_Z0_mono1_fix1//test20tig_AVDZ_AVQZfit/ DONE 15.952171220438583 1 1.0 0.0 1.1244819994260524e-05 -1.2493370000754567e-06 1.1288201001491416e-05 -1.401650000010246e-06
shell3_X3_Y0_Z0_mono3_fix1//test20tig_AVDZ_AVQZfit/ DONE 15.952171220438583 1 1.0 0.0 1.1244819994260524e-05 -1.2493370000754567e-06 1.1288201001491416e-05 -1.401650000010246e-06
shell3_X3_Y0_Z-1_mono3_fix1//test20tig_AVDZ_AVQZfit/ DONE 15.952171220438583 1 1.0 0.0 1.1244819994260524e-05 -1.2493370000754567e-06 1.1288201001491416e-05 -1.401650000010246e-06
shell3_X0_Y0_Z3_mono2_fix1//test20tig_AVDZ_AVQZfit/ DONE 15.952171220438583 1 1.0 0.0 1.1244819994260524e-05 -1.2493370000754567e-06 1.1288201001491416e-05 -1.401650000010246e-06
shell3_X-1_Y3_Z0_mono0_fix1//test20tig_AVDZ_AVQZfit/ DONE 16.247688153129875 1 1.0 0.0 7.69577700765467e-06 -8.239519999064804e-07 7.736123997403865e-06 -9.17426000029975e-07
shell3_X-3_Y0_Z1_mono0_fix1//test20tig_AVDZ_AVQZfit/ DONE 16.247688153129875 1 1.0 0.0 7.69577700765467e-06 -8.239519999064804e-07 7.736123997403865e-06 -9.17426000029975e-07
shell3_X0_Y-1_Z3_mono0_fix1//test20tig_AVDZ_AVQZfit/ DONE 16.247688153129875 1 1.0 0.0 7.69577700765467e-06 -8.239519999064804e-07 7.736123997403865e-06 -9.17426000029975e-07
shell3_X0_Y1_Z-3_mono0_fix1//test20tig_AVDZ_AVQZfit/ DONE 16.247688153129875 1 1.0 0.0 7.69577700765467e-06 -8.239519999064804e-07 7.736123997403865e-06 -9.17426000029975e-07
shell3_X1_Y-3_Z0_mono0_fix1//test20tig_AVDZ_AVQZfit/ DONE 16.247688153129875 1 1.0 0.0 7.69577700765467e-06 -8.239519999064804e-07 7.736123997403865e-06 -9.17426000029975e-07
shell3_X3_Y0_Z-1_mono0_fix1//test20tig_AVDZ_AVQZfit/ DONE 16.247688153129875 1 1.0 0.0 7.69577700765467e-06 -8.239519999064804e-07 7.736123997403865e-06 -9.17426000029975e-07
shell3_X-1_Y0_Z3_mono0_fix1//test20tig_AVDZ_AVQZfit/ DONE 16.247693998803072 1 1.0 0.0 8.068715992237685e-06 -8.384549999851387e-07 8.098716001825323e-06 -9.450949999822988e-07
shell3_X3_Y-1_Z0_mono0_fix1//test20tig_AVDZ_AVQZfit/ DONE 16.247693998803072 1 1.0 0.0 8.068715992237685e-06 -8.384549999851387e-07 8.098716001825323e-06 -9.450949999822988e-07
shell3_X0_Y-3_Z1_mono0_fix1//test20tig_AVDZ_AVQZfit/ DONE 16.247693998803072 1 1.0 0.0 8.068715992237685e-06 -8.384549999851387e-07 8.098716001825323e-06 -9.450949999822988e-07
shell3_X0_Y3_Z-1_mono0_fix1//test20tig_AVDZ_AVQZfit/ DONE 16.247693998803072 1 1.0 0.0 8.068715992237685e-06 -8.384549999851387e-07 8.098716001825323e-06 -9.450949999822988e-07
shell3_X1_Y0_Z-3_mono0_fix1//test20tig_AVDZ_AVQZfit/ DONE 16.247693998803072 1 1.0 0.0 8.068715992237685e-06 -8.384549999851387e-07 8.098716001825323e-06 -9.450949999822988e-07
shell3_X-3_Y1_Z0_mono0_fix1//test20tig_AVDZ_AVQZfit/ DONE 16.247693998803072 1 1.0 0.0 8.068715992237685e-06 -8.384549999851387e-07 8.098716001825323e-06 -9.450949999822988e-07
shell3_X0_Y-3_Z-1_mono0_fix1//test20tig_AVDZ_AVQZfit/ DONE 16.254976414749144 1 1.0 0.0 -8.608819001665324e-06 6.141879999588262e-07 -8.647752991919333e-06 7.212419999846897e-07
shell3_X1_Y0_Z3_mono0_fix1//test20tig_AVDZ_AVQZfit/ DONE 16.254976414749144 1 1.0 0.0 -8.608819001665324e-06 6.141879999588262e-07 -8.647752991919333e-06 7.212419999846897e-07
shell3_X3_Y1_Z0_mono0_fix1//test20tig_AVDZ_AVQZfit/ DONE 16.254976414749144 1 1.0 0.0 -8.608819001665324e-06 6.141879999588262e-07 -8.647752991919333e-06 7.212419999846897e-07
shell3_X0_Y3_Z1_mono0_fix1//test20tig_AVDZ_AVQZfit/ DONE 16.254976414749144 1 1.0 0.0 -8.608819001665324e-06 6.141879999588262e-07 -8.647752991919333e-06 7.212419999846897e-07
shell3_X-1_Y0_Z-3_mono0_fix1//test20tig_AVDZ_AVQZfit/ DONE 16.254976414749144 1 1.0 0.0 -8.608819001665324e-06 6.141879999588262e-07 -8.647752991919333e-06 7.212419999846897e-07
shell3_X-3_Y-1_Z0_mono0_fix1//test20tig_AVDZ_AVQZfit/ DONE 16.254976414749144 1 1.0 0.0 -8.608819001665324e-06 6.141879999588262e-07 -8.647752991919333e-06 7.212419999846897e-07
shell3_X1_Y3_Z0_mono0_fix1//test20tig_AVDZ_AVQZfit/ DONE 16.254982091282486 1 1.0 0.0 -8.218798008385875e-06 5.990220000029467e-07 -8.269531996063506e-06 6.926309999710778e-07
shell3_X0_Y-1_Z-3_mono0_fix1//test20tig_AVDZ_AVQZfit/ DONE 16.254982091282486 1 1.0 0.0 -8.218798008385875e-06 5.990220000029467e-07 -8.269531996063506e-06 6.926309999710778e-07
shell3_X0_Y1_Z3_mono0_fix1//test20tig_AVDZ_AVQZfit/ DONE 16.254982091282486 1 1.0 0.0 -8.218798008385875e-06 5.990220000029467e-07 -8.269531996063506e-06 6.926309999710778e-07
shell3_X-1_Y-3_Z0_mono0_fix1//test20tig_AVDZ_AVQZfit/ DONE 16.254982091282486 1 1.0 0.0 -8.218798008385875e-06 5.990220000029467e-07 -8.269531996063506e-06 6.926309999710778e-07
shell3_X-3_Y0_Z-1_mono0_fix1//test20tig_AVDZ_AVQZfit/ DONE 16.254982091282486 1 1.0 0.0 -8.218798008385875e-06 5.990220000029467e-07 -8.269531996063506e-06 6.926309999710778e-07
shell3_X3_Y0_Z1_mono0_fix1//test20tig_AVDZ_AVQZfit/ DONE 16.254982091282486 1 1.0 0.0 -8.218798008385875e-06 5.990220000029467e-07 -8.269531996063506e-06 6.926309999710778e-07
shell3_X-2_Y-3_Z0_mono3_fix1//test20tig_AVDZ_AVQZfit/ DONE 16.523892975670563 1 1.0 0.0 2.675547400343703e-05 -2.0458989999361243e-06 2.6953419002495593e-05 -2.3089609999804583e-06
shell3_X-2_Y-3_Z-1_mono3_fix1//test20tig_AVDZ_AVQZfit/ DONE 16.523892975670563 1 1.0 0.0 2.675547400343703e-05 -2.0458989999361243e-06 2.6953419002495593e-05 -2.3089609999804583e-06
shell3_X-3_Y0_Z-2_mono2_fix1//test20tig_AVDZ_AVQZfit/ DONE 16.523892975670563 1 1.0 0.0 2.675547400343703e-05 -2.0458989999361243e-06 2.6953419002495593e-05 -2.3089609999804583e-06
shell3_X-3_Y-1_Z-2_mono2_fix1//test20tig_AVDZ_AVQZfit/ DONE 16.523892975670563 1 1.0 0.0 2.675547400343703e-05 -2.0458989999361243e-06 2.6953419002495593e-05 -2.3089609999804583e-06
shell3_X0_Y-2_Z-3_mono1_fix1//test20tig_AVDZ_AVQZfit/ DONE 16.523892975670563 1 1.0 0.0 2.675547400343703e-05 -2.0458989999361243e-06 2.6953419002495593e-05 -2.3089609999804583e-06
shell3_X-1_Y-2_Z-3_mono1_fix1//test20tig_AVDZ_AVQZfit/ DONE 16.523892975670563 1 1.0 0.0 2.675547400343703e-05 -2.0458989999361243e-06 2.6953419002495593e-05 -2.3089609999804583e-06
shell3_X-1_Y-3_Z-2_mono2_fix1//test20tig_AVDZ_AVQZfit/ DONE 16.579126050979827 1 1.0 0.0 -8.332768999252949e-06 3.892190000298612e-07 -8.423717993366608e-06 4.4629699996745487e-07
shell3_X-2_Y-1_Z-3_mono3_fix1//test20tig_AVDZ_AVQZfit/ DONE 16.579126050979827 1 1.0 0.0 -8.332768999252949e-06 3.892190000298612e-07 -8.423717993366608e-06 4.4629699996745487e-07
shell3_X-3_Y-2_Z-1_mono1_fix1//test20tig_AVDZ_AVQZfit/ DONE 16.579126050979827 1 1.0 0.0 -8.332768999252949e-06 3.892190000298612e-07 -8.423717993366608e-06 4.4629699996745487e-07
shell3_X-3_Y-2_Z0_mono1_fix1//test20tig_AVDZ_AVQZfit/ DONE 16.60657333250844 1 1.0 0.0 -1.1907545996336921e-05 8.183669999994869e-07 -1.1992597997334542e-05 9.406759999830427e-07
shell3_X0_Y-3_Z-2_mono2_fix1//test20tig_AVDZ_AVQZfit/ DONE 16.60657333250844 1 1.0 0.0 -1.1907545996336921e-05 8.183669999994869e-07 -1.1992597997334542e-05 9.406759999830427e-07
shell3_X-2_Y0_Z-3_mono3_fix1//test20tig_AVDZ_AVQZfit/ DONE 16.60657333250844 1 1.0 0.0 -1.1907545996336921e-05 8.183669999994869e-07 -1.1992597997334542e-05 9.406759999830427e-07
shell3_X0_Y2_Z-3_mono1_fix1//test20tig_AVDZ_AVQZfit/ DONE 16.631855651334735 1 1.0 0.0 -4.48690399679208e-06 3.1623399998625956e-07 -4.5156099943710615e-06 3.673790000269239e-07
shell3_X2_Y-3_Z0_mono3_fix1//test20tig_AVDZ_AVQZfit/ DONE 16.631855651334735 1 1.0 0.0 -4.48690399679208e-06 3.1623399998625956e-07 -4.5156099943710615e-06 3.673790000269239e-07
shell3_X2_Y-3_Z-1_mono3_fix1//test20tig_AVDZ_AVQZfit/ DONE 16.631855651334735 1 1.0 0.0 -4.48690399679208e-06 3.1623399998625956e-07 -4.5156099943710615e-06 3.673790000269239e-07
shell3_X-3_Y0_Z2_mono2_fix1//test20tig_AVDZ_AVQZfit/ DONE 16.631855651334735 1 1.0 0.0 -4.48690399679208e-06 3.1623399998625956e-07 -4.5156099943710615e-06 3.673790000269239e-07
shell3_X-1_Y2_Z-3_mono1_fix1//test20tig_AVDZ_AVQZfit/ DONE 16.631855651334735 1 1.0 0.0 -4.48690399679208e-06 3.1623399998625956e-07 -4.5156099943710615e-06 3.673790000269239e-07
shell3_X-3_Y-1_Z2_mono2_fix1//test20tig_AVDZ_AVQZfit/ DONE 16.631855651334735 1 1.0 0.0 -4.48690399679208e-06 3.1623399998625956e-07 -4.5156099943710615e-06 3.673790000269239e-07
shell3_X-1_Y-3_Z2_mono2_fix1//test20tig_AVDZ_AVQZfit/ DONE 16.694815527146538 1 1.0 0.0 -5.2371380121485345e-06 6.23982999992112e-07 -5.248667996227141e-06 7.065279999940444e-07
shell3_X2_Y-1_Z-3_mono3_fix1//test20tig_AVDZ_AVQZfit/ DONE 16.694815527146538 1 1.0 0.0 -5.2371380121485345e-06 6.23982999992112e-07 -5.248667996227141e-06 7.065279999940444e-07
shell3_X-3_Y2_Z-1_mono1_fix1//test20tig_AVDZ_AVQZfit/ DONE 16.694815527146538 1 1.0 0.0 -5.2371380121485345e-06 6.23982999992112e-07 -5.248667996227141e-06 7.065279999940444e-07
shell3_X0_Y-3_Z2_mono2_fix1//test20tig_AVDZ_AVQZfit/ DONE 16.726565166052875 1 1.0 0.0 -4.404700035820497e-07 1.5377699996710348e-07 -4.333669991751776e-07 1.7211500000224866e-07
shell3_X2_Y0_Z-3_mono3_fix1//test20tig_AVDZ_AVQZfit/ DONE 16.726565166052875 1 1.0 0.0 -4.404700035820497e-07 1.5377699996710348e-07 -4.333669991751776e-07 1.7211500000224866e-07
shell3_X-3_Y2_Z0_mono1_fix1//test20tig_AVDZ_AVQZfit/ DONE 16.726565166052875 1 1.0 0.0 -4.404700035820497e-07 1.5377699996710348e-07 -4.333669991751776e-07 1.7211500000224866e-07
shell3_X-1_Y-1_Z3_mono0_fix1//test20tig_AVDZ_AVQZfit/ DONE 17.036671432377705 1 1.0 0.0 1.0711203991320417e-05 -1.0143749999969032e-06 1.0761718009177912e-05 -1.1472220000086075e-06
shell3_X1_Y1_Z-3_mono0_fix1//test20tig_AVDZ_AVQZfit/ DONE 17.036671432377705 1 1.0 0.0 1.0711203991320417e-05 -1.0143749999969032e-06 1.0761718009177912e-05 -1.1472220000086075e-06
shell3_X-1_Y3_Z-1_mono0_fix1//test20tig_AVDZ_AVQZfit/ DONE 17.036671432377705 1 1.0 0.0 1.0711203991320417e-05 -1.0143749999969032e-06 1.0761718009177912e-05 -1.1472220000086075e-06
shell3_X1_Y-3_Z1_mono0_fix1//test20tig_AVDZ_AVQZfit/ DONE 17.036671432377705 1 1.0 0.0 1.0711203991320417e-05 -1.0143749999969032e-06 1.0761718009177912e-05 -1.1472220000086075e-06
shell3_X-3_Y1_Z1_mono0_fix1//test20tig_AVDZ_AVQZfit/ DONE 17.036671432377705 1 1.0 0.0 1.0711203991320417e-05 -1.0143749999969032e-06 1.0761718009177912e-05 -1.1472220000086075e-06
shell3_X3_Y-1_Z-1_mono0_fix1//test20tig_AVDZ_AVQZfit/ DONE 17.036671432377705 1 1.0 0.0 1.0711203991320417e-05 -1.0143749999969032e-06 1.0761718009177912e-05 -1.1472220000086075e-06
shell3_X-1_Y1_Z-3_mono0_fix1//test20tig_AVDZ_AVQZfit/ DONE 17.040889684391683 1 1.0 0.0 1.4362380014176779e-06 -2.7318600004377913e-07 1.4503679963695504e-06 -2.8694900003345403e-07
shell3_X1_Y-1_Z3_mono0_fix1//test20tig_AVDZ_AVQZfit/ DONE 17.040889684391683 1 1.0 0.0 1.4362380014176779e-06 -2.7318600004377913e-07 1.4503679963695504e-06 -2.8694900003345403e-07
shell3_X1_Y-3_Z-1_mono0_fix1//test20tig_AVDZ_AVQZfit/ DONE 17.040889684391683 1 1.0 0.0 1.4362380014176779e-06 -2.7318600004377913e-07 1.4503679963695504e-06 -2.8694900003345403e-07
shell3_X-3_Y-1_Z1_mono0_fix1//test20tig_AVDZ_AVQZfit/ DONE 17.040889684391683 1 1.0 0.0 1.4362380014176779e-06 -2.7318600004377913e-07 1.4503679963695504e-06 -2.8694900003345403e-07
shell3_X3_Y1_Z-1_mono0_fix1//test20tig_AVDZ_AVQZfit/ DONE 17.040889684391683 1 1.0 0.0 1.4362380014176779e-06 -2.7318600004377913e-07 1.4503679963695504e-06 -2.8694900003345403e-07
shell3_X-1_Y3_Z1_mono0_fix1//test20tig_AVDZ_AVQZfit/ DONE 17.040889684391683 1 1.0 0.0 1.4362380014176779e-06 -2.7318600004377913e-07 1.4503679963695504e-06 -2.8694900003345403e-07
shell3_X-1_Y1_Z3_mono0_fix1//test20tig_AVDZ_AVQZfit/ DONE 17.04089779993746 1 1.0 0.0 1.9368639954109312e-06 -2.922080000189453e-07 1.9363989949283678e-06 -3.238600000121661e-07
shell3_X1_Y-1_Z-3_mono0_fix1//test20tig_AVDZ_AVQZfit/ DONE 17.04089779993746 1 1.0 0.0 1.9368639954109312e-06 -2.922080000189453e-07 1.9363989949283678e-06 -3.238600000121661e-07
shell3_X-1_Y-3_Z1_mono0_fix1//test20tig_AVDZ_AVQZfit/ DONE 17.04089779993746 1 1.0 0.0 1.9368639954109312e-06 -2.922080000189453e-07 1.9363989949283678e-06 -3.238600000121661e-07
shell3_X1_Y3_Z-1_mono0_fix1//test20tig_AVDZ_AVQZfit/ DONE 17.04089779993746 1 1.0 0.0 1.9368639954109312e-06 -2.922080000189453e-07 1.9363989949283678e-06 -3.238600000121661e-07
shell3_X-3_Y1_Z-1_mono0_fix1//test20tig_AVDZ_AVQZfit/ DONE 17.04089779993746 1 1.0 0.0 1.9368639954109312e-06 -2.922080000189453e-07 1.9363989949283678e-06 -3.238600000121661e-07
shell3_X3_Y-1_Z1_mono0_fix1//test20tig_AVDZ_AVQZfit/ DONE 17.04089779993746 1 1.0 0.0 1.9368639954109312e-06 -2.922080000189453e-07 1.9363989949283678e-06 -3.238600000121661e-07
shell3_X1_Y1_Z3_mono0_fix1//test20tig_AVDZ_AVQZfit/ DONE 17.04929927726069 1 1.0 0.0 -1.4429315008612775e-05 1.277967000057334e-06 -1.4501991998372432e-05 1.4558550000265402e-06
shell3_X-1_Y-1_Z-3_mono0_fix1//test20tig_AVDZ_AVQZfit/ DONE 17.04929927726069 1 1.0 0.0 -1.4429315008612775e-05 1.277967000057334e-06 -1.4501991998372432e-05 1.4558550000265402e-06
shell3_X-1_Y-3_Z-1_mono0_fix1//test20tig_AVDZ_AVQZfit/ DONE 17.04929927726069 1 1.0 0.0 -1.4429315008612775e-05 1.277967000057334e-06 -1.4501991998372432e-05 1.4558550000265402e-06
shell3_X1_Y3_Z1_mono0_fix1//test20tig_AVDZ_AVQZfit/ DONE 17.04929927726069 1 1.0 0.0 -1.4429315008612775e-05 1.277967000057334e-06 -1.4501991998372432e-05 1.4558550000265402e-06
shell3_X-3_Y-1_Z-1_mono0_fix1//test20tig_AVDZ_AVQZfit/ DONE 17.04929927726069 1 1.0 0.0 -1.4429315008612775e-05 1.277967000057334e-06 -1.4501991998372432e-05 1.4558550000265402e-06
shell3_X3_Y1_Z1_mono0_fix1//test20tig_AVDZ_AVQZfit/ DONE 17.04929927726069 1 1.0 0.0 -1.4429315008612775e-05 1.277967000057334e-06 -1.4501991998372432e-05 1.4558550000265402e-06
shell3_X0_Y-3_Z-2_mono1_fix1//test20tig_AVDZ_AVQZfit/ DONE 17.30123865514377 1 1.0 0.0 1.9825256003969116e-05 -1.5729150000254322e-06 1.9960389003870205e-05 -1.778904000021564e-06
shell3_X-2_Y-1_Z-3_mono2_fix1//test20tig_AVDZ_AVQZfit/ DONE 17.30123865514377 1 1.0 0.0 1.9825256003969116e-05 -1.5729150000254322e-06 1.9960389003870205e-05 -1.778904000021564e-06
shell3_X-3_Y-2_Z0_mono3_fix1//test20tig_AVDZ_AVQZfit/ DONE 17.30123865514377 1 1.0 0.0 1.9825256003969116e-05 -1.5729150000254322e-06 1.9960389003870205e-05 -1.778904000021564e-06
shell3_X-3_Y-2_Z-1_mono3_fix1//test20tig_AVDZ_AVQZfit/ DONE 17.30123865514377 1 1.0 0.0 1.9825256003969116e-05 -1.5729150000254322e-06 1.9960389003870205e-05 -1.778904000021564e-06
shell3_X-1_Y-3_Z-2_mono1_fix1//test20tig_AVDZ_AVQZfit/ DONE 17.30123865514377 1 1.0 0.0 1.9825256003969116e-05 -1.5729150000254322e-06 1.9960389003870205e-05 -1.778904000021564e-06
shell3_X-2_Y0_Z-3_mono2_fix1//test20tig_AVDZ_AVQZfit/ DONE 17.30123865514377 1 1.0 0.0 1.9825256003969116e-05 -1.5729150000254322e-06 1.9960389003870205e-05 -1.778904000021564e-06
shell3_X-1_Y-2_Z-3_mono2_fix1//test20tig_AVDZ_AVQZfit/ DONE 17.326714966493924 1 1.0 0.0 4.848398006629395e-06 -5.881869999946332e-07 4.856082995274846e-06 -6.624870000082606e-07
shell3_X-3_Y-1_Z1_mono3_fix1//test20tig_AVDZ_AVQZfit/ DONE 17.326714966493924 1 1.0 0.0 4.848398006629395e-06 -5.881869999946332e-07 4.856082995274846e-06 -6.624870000082606e-07
shell3_X-3_Y-1_Z-2_mono3_fix1//test20tig_AVDZ_AVQZfit/ DONE 17.326714966493924 1 1.0 0.0 4.848398006629395e-06 -5.881869999946332e-07 4.856082995274846e-06 -6.624870000082606e-07
shell3_X-1_Y1_Z-3_mono2_fix1//test20tig_AVDZ_AVQZfit/ DONE 17.326714966493924 1 1.0 0.0 4.848398006629395e-06 -5.881869999946332e-07 4.856082995274846e-06 -6.624870000082606e-07
shell3_X1_Y-3_Z-1_mono1_fix1//test20tig_AVDZ_AVQZfit/ DONE 17.326714966493924 1 1.0 0.0 4.848398006629395e-06 -5.881869999946332e-07 4.856082995274846e-06 -6.624870000082606e-07
shell3_X-2_Y-3_Z-1_mono1_fix1//test20tig_AVDZ_AVQZfit/ DONE 17.326714966493924 1 1.0 0.0 4.848398006629395e-06 -5.881869999946332e-07 4.856082995274846e-06 -6.624870000082606e-07
shell3_X-3_Y0_Z-2_mono3_fix1//test20tig_AVDZ_AVQZfit/ DONE 17.35200814032332 1 1.0 0.0 -2.285146997849097e-06 -2.1193000021568764e-08 -2.3147710024318258e-06 -1.1611000022559992e-08
shell3_X0_Y1_Z-3_mono2_fix1//test20tig_AVDZ_AVQZfit/ DONE 17.35200814032332 1 1.0 0.0 -2.285146997849097e-06 -2.1193000021568764e-08 -2.3147710024318258e-06 -1.1611000022559992e-08
shell3_X0_Y-2_Z-3_mono2_fix1//test20tig_AVDZ_AVQZfit/ DONE 17.35200814032332 1 1.0 0.0 -2.285146997849097e-06 -2.1193000021568764e-08 -2.3147710024318258e-06 -1.1611000022559992e-08
shell3_X1_Y-3_Z0_mono1_fix1//test20tig_AVDZ_AVQZfit/ DONE 17.35200814032332 1 1.0 0.0 -2.285146997849097e-06 -2.1193000021568764e-08 -2.3147710024318258e-06 -1.1611000022559992e-08
shell3_X-2_Y-3_Z0_mono1_fix1//test20tig_AVDZ_AVQZfit/ DONE 17.35200814032332 1 1.0 0.0 -2.285146997849097e-06 -2.1193000021568764e-08 -2.3147710024318258e-06 -1.1611000022559992e-08
shell3_X-3_Y0_Z1_mono3_fix1//test20tig_AVDZ_AVQZfit/ DONE 17.35200814032332 1 1.0 0.0 -2.285146997849097e-06 -2.1193000021568764e-08 -2.3147710024318258e-06 -1.1611000022559992e-08
shell3_X0_Y-3_Z1_mono1_fix1//test20tig_AVDZ_AVQZfit/ DONE 17.37703555638042 1 1.0 0.0 -3.3668180066115383e-06 1.4894900007833556e-07 -3.3896810052169712e-06 1.8344300001249536e-07
shell3_X1_Y-1_Z-3_mono2_fix1//test20tig_AVDZ_AVQZfit/ DONE 17.37703555638042 1 1.0 0.0 -3.3668180066115383e-06 1.4894900007833556e-07 -3.3896810052169712e-06 1.8344300001249536e-07
shell3_X-1_Y-3_Z1_mono1_fix1//test20tig_AVDZ_AVQZfit/ DONE 17.37703555638042 1 1.0 0.0 -3.3668180066115383e-06 1.4894900007833556e-07 -3.3896810052169712e-06 1.8344300001249536e-07
shell3_X1_Y0_Z-3_mono2_fix1//test20tig_AVDZ_AVQZfit/ DONE 17.37703555638042 1 1.0 0.0 -3.3668180066115383e-06 1.4894900007833556e-07 -3.3896810052169712e-06 1.8344300001249536e-07
shell3_X-3_Y1_Z0_mono3_fix1//test20tig_AVDZ_AVQZfit/ DONE 17.37703555638042 1 1.0 0.0 -3.3668180066115383e-06 1.4894900007833556e-07 -3.3896810052169712e-06 1.8344300001249536e-07
shell3_X-3_Y1_Z-1_mono3_fix1//test20tig_AVDZ_AVQZfit/ DONE 17.37703555638042 1 1.0 0.0 -3.3668180066115383e-06 1.4894900007833556e-07 -3.3896810052169712e-06 1.8344300001249536e-07
shell3_X-2_Y0_Z3_mono2_fix1//test20tig_AVDZ_AVQZfit/ DONE 17.462647669123033 1 1.0 0.0 -2.9216599983783453e-07 5.943099995464607e-08 -2.768139992781471e-07 7.797300000111917e-08
shell3_X-2_Y-1_Z3_mono2_fix1//test20tig_AVDZ_AVQZfit/ DONE 17.462647669123033 1 1.0 0.0 -2.9216599983783453e-07 5.943099995464607e-08 -2.768139992781471e-07 7.797300000111917e-08
shell3_X0_Y3_Z-2_mono1_fix1//test20tig_AVDZ_AVQZfit/ DONE 17.462647669123033 1 1.0 0.0 -2.9216599983783453e-07 5.943099995464607e-08 -2.768139992781471e-07 7.797300000111917e-08
shell3_X-1_Y3_Z-2_mono1_fix1//test20tig_AVDZ_AVQZfit/ DONE 17.462647669123033 1 1.0 0.0 -2.9216599983783453e-07 5.943099995464607e-08 -2.768139992781471e-07 7.797300000111917e-08
shell3_X3_Y-2_Z0_mono3_fix1//test20tig_AVDZ_AVQZfit/ DONE 17.462647669123033 1 1.0 0.0 -2.9216599983783453e-07 5.943099995464607e-08 -2.768139992781471e-07 7.797300000111917e-08
shell3_X3_Y-2_Z-1_mono3_fix1//test20tig_AVDZ_AVQZfit/ DONE 17.462647669123033 1 1.0 0.0 -2.9216599983783453e-07 5.943099995464607e-08 -2.768139992781471e-07 7.797300000111917e-08
shell3_X1_Y3_Z-1_mono1_fix1//test20tig_AVDZ_AVQZfit/ DONE 17.49340555805659 1 1.0 0.0 1.9399169985945264e-06 -1.379850000371441e-07 1.9589289976806867e-06 -1.5193399999224866e-07
shell3_X-2_Y3_Z-1_mono1_fix1//test20tig_AVDZ_AVQZfit/ DONE 17.49340555805659 1 1.0 0.0 1.9399169985945264e-06 -1.379850000371441e-07 1.9589289976806867e-06 -1.5193399999224866e-07
shell3_X-1_Y1_Z3_mono2_fix1//test20tig_AVDZ_AVQZfit/ DONE 17.49340555805659 1 1.0 0.0 1.9399169985945264e-06 -1.379850000371441e-07 1.9589289976806867e-06 -1.5193399999224866e-07
shell3_X-1_Y-2_Z3_mono2_fix1//test20tig_AVDZ_AVQZfit/ DONE 17.49340555805659 1 1.0 0.0 1.9399169985945264e-06 -1.379850000371441e-07 1.9589289976806867e-06 -1.5193399999224866e-07
shell3_X3_Y-1_Z1_mono3_fix1//test20tig_AVDZ_AVQZfit/ DONE 17.49340555805659 1 1.0 0.0 1.9399169985945264e-06 -1.379850000371441e-07 1.9589289976806867e-06 -1.5193399999224866e-07
shell3_X3_Y-1_Z-2_mono3_fix1//test20tig_AVDZ_AVQZfit/ DONE 17.49340555805659 1 1.0 0.0 1.9399169985945264e-06 -1.379850000371441e-07 1.9589289976806867e-06 -1.5193399999224866e-07
shell3_X0_Y1_Z3_mono2_fix1//test20tig_AVDZ_AVQZfit/ DONE 17.52432784049701 1 1.0 0.0 6.024187001685277e-06 -6.137189999533277e-07 6.049818999542822e-06 -6.912579999795998e-07
shell3_X0_Y-2_Z3_mono2_fix1//test20tig_AVDZ_AVQZfit/ DONE 17.52432784049701 1 1.0 0.0 6.024187001685277e-06 -6.137189999533277e-07 6.049818999542822e-06 -6.912579999795998e-07
shell3_X1_Y3_Z0_mono1_fix1//test20tig_AVDZ_AVQZfit/ DONE 17.52432784049701 1 1.0 0.0 6.024187001685277e-06 -6.137189999533277e-07 6.049818999542822e-06 -6.912579999795998e-07
shell3_X-2_Y3_Z0_mono1_fix1//test20tig_AVDZ_AVQZfit/ DONE 17.52432784049701 1 1.0 0.0 6.024187001685277e-06 -6.137189999533277e-07 6.049818999542822e-06 -6.912579999795998e-07
shell3_X3_Y0_Z1_mono3_fix1//test20tig_AVDZ_AVQZfit/ DONE 17.52432784049701 1 1.0 0.0 6.024187001685277e-06 -6.137189999533277e-07 6.049818999542822e-06 -6.912579999795998e-07
shell3_X3_Y0_Z-2_mono3_fix1//test20tig_AVDZ_AVQZfit/ DONE 17.52432784049701 1 1.0 0.0 6.024187001685277e-06 -6.137189999533277e-07 6.049818999542822e-06 -6.912579999795998e-07
shell3_X3_Y1_Z-1_mono3_fix1//test20tig_AVDZ_AVQZfit/ DONE 17.555324646201736 1 1.0 0.0 1.1285512997005753e-05 -1.3003170000192021e-06 1.1318276001759386e-05 -1.4632539999670513e-06
shell3_X0_Y3_Z1_mono1_fix1//test20tig_AVDZ_AVQZfit/ DONE 17.555324646201736 1 1.0 0.0 1.1285512997005753e-05 -1.3003170000192021e-06 1.1318276001759386e-05 -1.4632539999670513e-06
shell3_X1_Y-1_Z3_mono2_fix1//test20tig_AVDZ_AVQZfit/ DONE 17.555324646201736 1 1.0 0.0 1.1285512997005753e-05 -1.3003170000192021e-06 1.1318276001759386e-05 -1.4632539999670513e-06
shell3_X-1_Y3_Z1_mono1_fix1//test20tig_AVDZ_AVQZfit/ DONE 17.555324646201736 1 1.0 0.0 1.1285512997005753e-05 -1.3003170000192021e-06 1.1318276001759386e-05 -1.4632539999670513e-06
shell3_X1_Y0_Z3_mono2_fix1//test20tig_AVDZ_AVQZfit/ DONE 17.555324646201736 1 1.0 0.0 1.1285512997005753e-05 -1.3003170000192021e-06 1.1318276001759386e-05 -1.4632539999670513e-06
shell3_X3_Y1_Z0_mono3_fix1//test20tig_AVDZ_AVQZfit/ DONE 17.555324646201736 1 1.0 0.0 1.1285512997005753e-05 -1.3003170000192021e-06 1.1318276001759386e-05 -1.4632539999670513e-06
shell3_X-3_Y-2_Z-2_mono2_fix1//test20tig_AVDZ_AVQZfit/ DONE 18.04586958561929 1 1.0 0.0 1.2463158000741714e-05 -1.0806910000216163e-06 1.2538278006957171e-05 -1.2198400000107412e-06
shell3_X-2_Y-2_Z-3_mono1_fix1//test20tig_AVDZ_AVQZfit/ DONE 18.04586958561929 1 1.0 0.0 1.2463158000741714e-05 -1.0806910000216163e-06 1.2538278006957171e-05 -1.2198400000107412e-06
shell3_X-2_Y-3_Z-2_mono3_fix1//test20tig_AVDZ_AVQZfit/ DONE 18.04586958561929 1 1.0 0.0 1.2463158000741714e-05 -1.0806910000216163e-06 1.2538278006957171e-05 -1.2198400000107412e-06
shell3_X1_Y-2_Z-3_mono1_fix1//test20tig_AVDZ_AVQZfit/ DONE 18.04586958561929 1 1.0 0.0 1.2463158000741714e-05 -1.0806910000216163e-06 1.2538278006957171e-05 -1.2198400000107412e-06
shell3_X-2_Y-3_Z1_mono3_fix1//test20tig_AVDZ_AVQZfit/ DONE 18.04586958561929 1 1.0 0.0 1.2463158000741714e-05 -1.0806910000216163e-06 1.2538278006957171e-05 -1.2198400000107412e-06
shell3_X-3_Y1_Z-2_mono2_fix1//test20tig_AVDZ_AVQZfit/ DONE 18.04586958561929 1 1.0 0.0 1.2463158000741714e-05 -1.0806910000216163e-06 1.2538278006957171e-05 -1.2198400000107412e-06
shell3_X-2_Y-2_Z-3_mono3_fix1//test20tig_AVDZ_AVQZfit/ DONE 18.07150066252289 1 1.0 0.0 -9.197300059327063e-07 -1.3960200001550405e-07 -9.529379880746092e-07 -1.5482300000368987e-07
shell3_X-2_Y-3_Z-2_mono2_fix1//test20tig_AVDZ_AVQZfit/ DONE 18.07150066252289 1 1.0 0.0 -9.197300059327063e-07 -1.3960200001550405e-07 -9.529379880746092e-07 -1.5482300000368987e-07
shell3_X-3_Y-2_Z-2_mono1_fix1//test20tig_AVDZ_AVQZfit/ DONE 18.07150066252289 1 1.0 0.0 -9.197300059327063e-07 -1.3960200001550405e-07 -9.529379880746092e-07 -1.5482300000368987e-07
shell3_X2_Y0_Z-3_mono1_fix1//test20tig_AVDZ_AVQZfit/ DONE 18.095802937538505 1 1.0 0.0 -6.252642997139901e-06 3.162020000280208e-07 -6.299474996751542e-06 3.753550000262784e-07
shell3_X0_Y-3_Z2_mono3_fix1//test20tig_AVDZ_AVQZfit/ DONE 18.095802937538505 1 1.0 0.0 -6.252642997139901e-06 3.162020000280208e-07 -6.299474996751542e-06 3.753550000262784e-07
shell3_X0_Y-3_Z-3_mono3_fix1//test20tig_AVDZ_AVQZfit/ DONE 18.095802937538505 1 1.0 0.0 -6.252642997139901e-06 3.162020000280208e-07 -6.299474996751542e-06 3.753550000262784e-07
shell3_X-3_Y0_Z-3_mono1_fix1//test20tig_AVDZ_AVQZfit/ DONE 18.095802937538505 1 1.0 0.0 -6.252642997139901e-06 3.162020000280208e-07 -6.299474996751542e-06 3.753550000262784e-07
shell3_X-3_Y-3_Z0_mono2_fix1//test20tig_AVDZ_AVQZfit/ DONE 18.095802937538505 1 1.0 0.0 -6.252642997139901e-06 3.162020000280208e-07 -6.299474996751542e-06 3.753550000262784e-07
shell3_X-3_Y2_Z0_mono2_fix1//test20tig_AVDZ_AVQZfit/ DONE 18.095802937538505 1 1.0 0.0 -6.252642997139901e-06 3.162020000280208e-07 -6.299474996751542e-06 3.753550000262784e-07
shell3_X-3_Y1_Z2_mono2_fix1//test20tig_AVDZ_AVQZfit/ DONE 18.146186539335922 1 1.0 0.0 -5.0345200079959795e-06 4.007040000364448e-07 -5.061910989923035e-06 4.614910000255712e-07
shell3_X-3_Y-2_Z2_mono2_fix1//test20tig_AVDZ_AVQZfit/ DONE 18.146186539335922 1 1.0 0.0 -5.0345200079959795e-06 4.007040000364448e-07 -5.061910989923035e-06 4.614910000255712e-07
shell3_X-2_Y2_Z-3_mono1_fix1//test20tig_AVDZ_AVQZfit/ DONE 18.146186539335922 1 1.0 0.0 -5.0345200079959795e-06 4.007040000364448e-07 -5.061910989923035e-06 4.614910000255712e-07
shell3_X2_Y-3_Z1_mono3_fix1//test20tig_AVDZ_AVQZfit/ DONE 18.146186539335922 1 1.0 0.0 -5.0345200079959795e-06 4.007040000364448e-07 -5.061910989923035e-06 4.614910000255712e-07
shell3_X2_Y-3_Z-2_mono3_fix1//test20tig_AVDZ_AVQZfit/ DONE 18.146186539335922 1 1.0 0.0 -5.0345200079959795e-06 4.007040000364448e-07 -5.061910989923035e-06 4.614910000255712e-07
shell3_X1_Y2_Z-3_mono1_fix1//test20tig_AVDZ_AVQZfit/ DONE 18.146186539335922 1 1.0 0.0 -5.0345200079959795e-06 4.007040000364448e-07 -5.061910989923035e-06 4.614910000255712e-07
shell3_X1_Y-3_Z-2_mono2_fix1//test20tig_AVDZ_AVQZfit/ DONE 18.147920482105373 1 1.0 0.0 -8.249157005479901e-06 6.878859999948084e-07 -8.288536001543889e-06 7.90385000004612e-07
shell3_X-2_Y1_Z-3_mono3_fix1//test20tig_AVDZ_AVQZfit/ DONE 18.147920482105373 1 1.0 0.0 -8.249157005479901e-06 6.878859999948084e-07 -8.288536001543889e-06 7.90385000004612e-07
shell3_X-3_Y-2_Z1_mono1_fix1//test20tig_AVDZ_AVQZfit/ DONE 18.147920482105373 1 1.0 0.0 -8.249157005479901e-06 6.878859999948084e-07 -8.288536001543889e-06 7.90385000004612e-07
shell3_X0_Y-1_Z3_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
shell3_X-1_Y3_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
shell3_X3_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
shell3_X2_Y-2_Z-3_mono3_fix1//test20tig_AVDZ_AVQZfit/ DONE 18.17475294087889 1 1.0 0.0 -6.62445700072567e-06 6.435380000002766e-07 -6.649364991062612e-06 7.34443000000029e-07
shell3_X-2_Y-3_Z2_mono2_fix1//test20tig_AVDZ_AVQZfit/ DONE 18.17475294087889 1 1.0 0.0 -6.62445700072567e-06 6.435380000002766e-07 -6.649364991062612e-06 7.34443000000029e-07
shell3_X-3_Y2_Z-2_mono1_fix1//test20tig_AVDZ_AVQZfit/ DONE 18.17475294087889 1 1.0 0.0 -6.62445700072567e-06 6.435380000002766e-07 -6.649364991062612e-06 7.34443000000029e-07
shell3_X0_Y0_Z3_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
shell3_X0_Y3_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
shell3_X3_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
shell3_X2_Y-3_Z0_mono2_fix1//test20tig_AVDZ_AVQZfit/ DONE 18.231837944427443 1 1.0 0.0 -9.603560044979531e-07 1.6878600000991284e-07 -9.482060008281223e-07 1.9691700001156498e-07
shell3_X0_Y2_Z-3_mono3_fix1//test20tig_AVDZ_AVQZfit/ DONE 18.231837944427443 1 1.0 0.0 -9.603560044979531e-07 1.6878600000991284e-07 -9.482060008281223e-07 1.9691700001156498e-07
shell3_X-3_Y0_Z2_mono1_fix1//test20tig_AVDZ_AVQZfit/ DONE 18.231837944427443 1 1.0 0.0 -9.603560044979531e-07 1.6878600000991284e-07 -9.482060008281223e-07 1.9691700001156498e-07
shell3_X0_Y0_Z3_mono1_fix1//test20tig_AVDZ_AVQZfit/ DONE 18.25869707373446 1 1.0 0.0 5.94570700229724e-06 -5.974539999953343e-07 5.970695006851656e-06 -6.745599999968821e-07
shell3_X3_Y-1_Z0_mono2_fix1//test20tig_AVDZ_AVQZfit/ DONE 18.25869707373446 1 1.0 0.0 5.94570700229724e-06 -5.974539999953343e-07 5.970695006851656e-06 -6.745599999968821e-07
shell3_X0_Y3_Z0_mono3_fix1//test20tig_AVDZ_AVQZfit/ DONE 18.25869707373446 1 1.0 0.0 5.94570700229724e-06 -5.974539999953343e-07 5.970695006851656e-06 -6.745599999968821e-07
shell3_X0_Y3_Z-1_mono3_fix1//test20tig_AVDZ_AVQZfit/ DONE 18.25869707373446 1 1.0 0.0 5.94570700229724e-06 -5.974539999953343e-07 5.970695006851656e-06 -6.745599999968821e-07
shell3_X-1_Y0_Z3_mono1_fix1//test20tig_AVDZ_AVQZfit/ DONE 18.25869707373446 1 1.0 0.0 5.94570700229724e-06 -5.974539999953343e-07 5.970695006851656e-06 -6.745599999968821e-07
shell3_X3_Y0_Z0_mono2_fix1//test20tig_AVDZ_AVQZfit/ DONE 18.25869707373446 1 1.0 0.0 5.94570700229724e-06 -5.974539999953343e-07 5.970695006851656e-06 -6.745599999968821e-07
shell3_X1_Y-3_Z2_mono2_fix1//test20tig_AVDZ_AVQZfit/ DONE 18.261111175382855 1 1.0 0.0 2.831982001794131e-06 -2.4715600005498217e-07 2.848289007317817e-06 -2.7860999998741143e-07
shell3_X2_Y1_Z-3_mono3_fix1//test20tig_AVDZ_AVQZfit/ DONE 18.261111175382855 1 1.0 0.0 2.831982001794131e-06 -2.4715600005498217e-07 2.848289007317817e-06 -2.7860999998741143e-07
shell3_X-3_Y2_Z1_mono1_fix1//test20tig_AVDZ_AVQZfit/ DONE 18.261111175382855 1 1.0 0.0 2.831982001794131e-06 -2.4715600005498217e-07 2.848289007317817e-06 -2.7860999998741143e-07
shell3_X0_Y-2_Z3_mono0_fix1//test20tig_AVDZ_AVQZfit/ DONE 18.517269665534037 1 1.0 0.0 8.334878991433925e-06 -7.862859999763216e-07 8.377564007844285e-06 -8.87350999984049e-07
shell3_X0_Y2_Z-3_mono0_fix1//test20tig_AVDZ_AVQZfit/ DONE 18.517269665534037 1 1.0 0.0 8.334878991433925e-06 -7.862859999763216e-07 8.377564007844285e-06 -8.87350999984049e-07
shell3_X-2_Y3_Z0_mono0_fix1//test20tig_AVDZ_AVQZfit/ DONE 18.517269665534037 1 1.0 0.0 8.334878991433925e-06 -7.862859999763216e-07 8.377564007844285e-06 -8.87350999984049e-07
shell3_X2_Y-3_Z0_mono0_fix1//test20tig_AVDZ_AVQZfit/ DONE 18.517269665534037 1 1.0 0.0 8.334878991433925e-06 -7.862859999763216e-07 8.377564007844285e-06 -8.87350999984049e-07
shell3_X-3_Y0_Z2_mono0_fix1//test20tig_AVDZ_AVQZfit/ DONE 18.517269665534037 1 1.0 0.0 8.334878991433925e-06 -7.862859999763216e-07 8.377564007844285e-06 -8.87350999984049e-07
shell3_X3_Y0_Z-2_mono0_fix1//test20tig_AVDZ_AVQZfit/ DONE 18.517269665534037 1 1.0 0.0 8.334878991433925e-06 -7.862859999763216e-07 8.377564007844285e-06 -8.87350999984049e-07
shell3_X0_Y-3_Z2_mono0_fix1//test20tig_AVDZ_AVQZfit/ DONE 18.51727258112536 1 1.0 0.0 8.477644989568489e-06 -7.918889999847245e-07 8.516397002722442e-06 -8.979909999762281e-07
shell3_X0_Y3_Z-2_mono0_fix1//test20tig_AVDZ_AVQZfit/ DONE 18.51727258112536 1 1.0 0.0 8.477644989568489e-06 -7.918889999847245e-07 8.516397002722442e-06 -8.979909999762281e-07
shell3_X-2_Y0_Z3_mono0_fix1//test20tig_AVDZ_AVQZfit/ DONE 18.51727258112536 1 1.0 0.0 8.477644989568489e-06 -7.918889999847245e-07 8.516397002722442e-06 -8.979909999762281e-07
shell3_X2_Y0_Z-3_mono0_fix1//test20tig_AVDZ_AVQZfit/ DONE 18.51727258112536 1 1.0 0.0 8.477644989568489e-06 -7.918889999847245e-07 8.516397002722442e-06 -8.979909999762281e-07
shell3_X-3_Y2_Z0_mono0_fix1//test20tig_AVDZ_AVQZfit/ DONE 18.51727258112536 1 1.0 0.0 8.477644989568489e-06 -7.918889999847245e-07 8.516397002722442e-06 -8.979909999762281e-07
shell3_X3_Y-2_Z0_mono0_fix1//test20tig_AVDZ_AVQZfit/ DONE 18.51727258112536 1 1.0 0.0 8.477644989568489e-06 -7.918889999847245e-07 8.516397002722442e-06 -8.979909999762281e-07
shell3_X0_Y-3_Z-2_mono0_fix1//test20tig_AVDZ_AVQZfit/ DONE 18.527109185836125 1 1.0 0.0 -8.45898799184397e-06 7.114250000217481e-07 -8.49848500195094e-06 8.170570000021193e-07
shell3_X0_Y3_Z2_mono0_fix1//test20tig_AVDZ_AVQZfit/ DONE 18.527109185836125 1 1.0 0.0 -8.45898799184397e-06 7.114250000217481e-07 -8.49848500195094e-06 8.170570000021193e-07
shell3_X-2_Y0_Z-3_mono0_fix1//test20tig_AVDZ_AVQZfit/ DONE 18.527109185836125 1 1.0 0.0 -8.45898799184397e-06 7.114250000217481e-07 -8.49848500195094e-06 8.170570000021193e-07
shell3_X2_Y0_Z3_mono0_fix1//test20tig_AVDZ_AVQZfit/ DONE 18.527109185836125 1 1.0 0.0 -8.45898799184397e-06 7.114250000217481e-07 -8.49848500195094e-06 8.170570000021193e-07
shell3_X-3_Y-2_Z0_mono0_fix1//test20tig_AVDZ_AVQZfit/ DONE 18.527109185836125 1 1.0 0.0 -8.45898799184397e-06 7.114250000217481e-07 -8.49848500195094e-06 8.170570000021193e-07
shell3_X3_Y2_Z0_mono0_fix1//test20tig_AVDZ_AVQZfit/ DONE 18.527109185836125 1 1.0 0.0 -8.45898799184397e-06 7.114250000217481e-07 -8.49848500195094e-06 8.170570000021193e-07
shell3_X-2_Y-3_Z0_mono0_fix1//test20tig_AVDZ_AVQZfit/ DONE 18.527112001375976 1 1.0 0.0 -8.308509997334568e-06 7.055550000356625e-07 -8.352598996452798e-06 8.059890000133851e-07
shell3_X3_Y0_Z2_mono0_fix1//test20tig_AVDZ_AVQZfit/ DONE 18.527112001375976 1 1.0 0.0 -8.308509997334568e-06 7.055550000356625e-07 -8.352598996452798e-06 8.059890000133851e-07
shell3_X2_Y3_Z0_mono0_fix1//test20tig_AVDZ_AVQZfit/ DONE 18.527112001375976 1 1.0 0.0 -8.308509997334568e-06 7.055550000356625e-07 -8.352598996452798e-06 8.059890000133851e-07
shell3_X0_Y-2_Z-3_mono0_fix1//test20tig_AVDZ_AVQZfit/ DONE 18.527112001375976 1 1.0 0.0 -8.308509997334568e-06 7.055550000356625e-07 -8.352598996452798e-06 8.059890000133851e-07
shell3_X0_Y2_Z3_mono0_fix1//test20tig_AVDZ_AVQZfit/ DONE 18.527112001375976 1 1.0 0.0 -8.308509997334568e-06 7.055550000356625e-07 -8.352598996452798e-06 8.059890000133851e-07
shell3_X-3_Y0_Z-2_mono0_fix1//test20tig_AVDZ_AVQZfit/ DONE 18.527112001375976 1 1.0 0.0 -8.308509997334568e-06 7.055550000356625e-07 -8.352598996452798e-06 8.059890000133851e-07
shell3_X-2_Y1_Z-3_mono2_fix1//test20tig_AVDZ_AVQZfit/ DONE 18.760454928872235 1 1.0 0.0 9.718116004364674e-06 -8.604509999510235e-07 9.769400001857775e-06 -9.75188000018612e-07
shell3_X-2_Y-2_Z-3_mono2_fix1//test20tig_AVDZ_AVQZfit/ DONE 18.760454928872235 1 1.0 0.0 9.718116004364674e-06 -8.604509999510235e-07 9.769400001857775e-06 -9.75188000018612e-07
shell3_X-3_Y-2_Z1_mono3_fix1//test20tig_AVDZ_AVQZfit/ DONE 18.760454928872235 1 1.0 0.0 9.718116004364674e-06 -8.604509999510235e-07 9.769400001857775e-06 -9.75188000018612e-07
shell3_X1_Y-3_Z-2_mono1_fix1//test20tig_AVDZ_AVQZfit/ DONE 18.760454928872235 1 1.0 0.0 9.718116004364674e-06 -8.604509999510235e-07 9.769400001857775e-06 -9.75188000018612e-07
shell3_X-2_Y-3_Z-2_mono1_fix1//test20tig_AVDZ_AVQZfit/ DONE 18.760454928872235 1 1.0 0.0 9.718116004364674e-06 -8.604509999510235e-07 9.769400001857775e-06 -9.75188000018612e-07
shell3_X-3_Y-2_Z-2_mono3_fix1//test20tig_AVDZ_AVQZfit/ DONE 18.760454928872235 1 1.0 0.0 9.718116004364674e-06 -8.604509999510235e-07 9.769400001857775e-06 -9.75188000018612e-07
shell3_X-1_Y-3_Z2_mono3_fix1//test20tig_AVDZ_AVQZfit/ DONE 18.784869760780392 1 1.0 0.0 -1.2994950040479125e-06 -8.456400002465614e-08 -1.321872993287343e-06 -8.507700002824414e-08
shell3_X-3_Y2_Z-1_mono2_fix1//test20tig_AVDZ_AVQZfit/ DONE 18.784869760780392 1 1.0 0.0 -1.2994950040479125e-06 -8.456400002465614e-08 -1.321872993287343e-06 -8.507700002824414e-08
shell3_X-1_Y-3_Z-3_mono3_fix1//test20tig_AVDZ_AVQZfit/ DONE 18.784869760780392 1 1.0 0.0 -1.2994950040479125e-06 -8.456400002465614e-08 -1.321872993287343e-06 -8.507700002824414e-08
shell3_X-3_Y-1_Z-3_mono1_fix1//test20tig_AVDZ_AVQZfit/ DONE 18.784869760780392 1 1.0 0.0 -1.2994950040479125e-06 -8.456400002465614e-08 -1.321872993287343e-06 -8.507700002824414e-08
shell3_X2_Y-1_Z-3_mono1_fix1//test20tig_AVDZ_AVQZfit/ DONE 18.784869760780392 1 1.0 0.0 -1.2994950040479125e-06 -8.456400002465614e-08 -1.321872993287343e-06 -8.507700002824414e-08
shell3_X-3_Y-3_Z-1_mono2_fix1//test20tig_AVDZ_AVQZfit/ DONE 18.784869760780392 1 1.0 0.0 -1.2994950040479125e-06 -8.456400002465614e-08 -1.321872993287343e-06 -8.507700002824414e-08
shell3_X1_Y-3_Z1_mono1_fix1//test20tig_AVDZ_AVQZfit/ DONE 18.831779884041058 1 1.0 0.0 -4.117789003998951e-06 2.6032399996767097e-07 -4.144131999339606e-06 3.0453100002825195e-07
shell3_X-3_Y1_Z1_mono3_fix1//test20tig_AVDZ_AVQZfit/ DONE 18.831779884041058 1 1.0 0.0 -4.117789003998951e-06 2.6032399996767097e-07 -4.144131999339606e-06 3.0453100002825195e-07
shell3_X-3_Y1_Z-2_mono3_fix1//test20tig_AVDZ_AVQZfit/ DONE 18.831779884041058 1 1.0 0.0 -4.117789003998951e-06 2.6032399996767097e-07 -4.144131999339606e-06 3.0453100002825195e-07
shell3_X1_Y-2_Z-3_mono2_fix1//test20tig_AVDZ_AVQZfit/ DONE 18.831779884041058 1 1.0 0.0 -4.117789003998951e-06 2.6032399996767097e-07 -4.144131999339606e-06 3.0453100002825195e-07
shell3_X-2_Y-3_Z1_mono1_fix1//test20tig_AVDZ_AVQZfit/ DONE 18.831779884041058 1 1.0 0.0 -4.117789003998951e-06 2.6032399996767097e-07 -4.144131999339606e-06 3.0453100002825195e-07
shell3_X1_Y1_Z-3_mono2_fix1//test20tig_AVDZ_AVQZfit/ DONE 18.831779884041058 1 1.0 0.0 -4.117789003998951e-06 2.6032399996767097e-07 -4.144131999339606e-06 3.0453100002825195e-07
shell3_X1_Y-3_Z2_mono3_fix1//test20tig_AVDZ_AVQZfit/ DONE 18.833319684866876 1 1.0 0.0 -7.003477008993286e-06 5.032709999852614e-07 -7.045184993614839e-06 5.8186699999907e-07
shell3_X1_Y-3_Z-3_mono3_fix1//test20tig_AVDZ_AVQZfit/ DONE 18.833319684866876 1 1.0 0.0 -7.003477008993286e-06 5.032709999852614e-07 -7.045184993614839e-06 5.8186699999907e-07
shell3_X-3_Y2_Z1_mono2_fix1//test20tig_AVDZ_AVQZfit/ DONE 18.833319684866876 1 1.0 0.0 -7.003477008993286e-06 5.032709999852614e-07 -7.045184993614839e-06 5.8186699999907e-07
shell3_X-3_Y-3_Z1_mono2_fix1//test20tig_AVDZ_AVQZfit/ DONE 18.833319684866876 1 1.0 0.0 -7.003477008993286e-06 5.032709999852614e-07 -7.045184993614839e-06 5.8186699999907e-07
shell3_X2_Y1_Z-3_mono1_fix1//test20tig_AVDZ_AVQZfit/ DONE 18.833319684866876 1 1.0 0.0 -7.003477008993286e-06 5.032709999852614e-07 -7.045184993614839e-06 5.8186699999907e-07
shell3_X-3_Y1_Z-3_mono1_fix1//test20tig_AVDZ_AVQZfit/ DONE 18.833319684866876 1 1.0 0.0 -7.003477008993286e-06 5.032709999852614e-07 -7.045184993614839e-06 5.8186699999907e-07
shell3_X3_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
shell3_X-1_Y-1_Z3_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
shell3_X-1_Y3_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
shell3_X0_Y3_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
shell3_X3_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
shell3_X-1_Y0_Z3_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
shell3_X-1_Y3_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
shell3_X3_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
shell3_X1_Y-1_Z3_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
shell3_X1_Y3_Z-2_mono1_fix1//test20tig_AVDZ_AVQZfit/ DONE 18.910397236785766 1 1.0 0.0 -1.5404920006290013e-06 1.8594900008661597e-07 -1.5382519933382355e-06 2.1522999996137493e-07
shell3_X-2_Y-2_Z3_mono2_fix1//test20tig_AVDZ_AVQZfit/ DONE 18.910397236785766 1 1.0 0.0 -1.5404920006290013e-06 1.8594900008661597e-07 -1.5382519933382355e-06 2.1522999996137493e-07
shell3_X-2_Y3_Z-2_mono1_fix1//test20tig_AVDZ_AVQZfit/ DONE 18.910397236785766 1 1.0 0.0 -1.5404920006290013e-06 1.8594900008661597e-07 -1.5382519933382355e-06 2.1522999996137493e-07
shell3_X3_Y-2_Z1_mono3_fix1//test20tig_AVDZ_AVQZfit/ DONE 18.910397236785766 1 1.0 0.0 -1.5404920006290013e-06 1.8594900008661597e-07 -1.5382519933382355e-06 2.1522999996137493e-07
shell3_X-2_Y1_Z3_mono2_fix1//test20tig_AVDZ_AVQZfit/ DONE 18.910397236785766 1 1.0 0.0 -1.5404920006290013e-06 1.8594900008661597e-07 -1.5382519933382355e-06 2.1522999996137493e-07
shell3_X3_Y-2_Z-2_mono3_fix1//test20tig_AVDZ_AVQZfit/ DONE 18.910397236785766 1 1.0 0.0 -1.5404920006290013e-06 1.8594900008661597e-07 -1.5382519933382355e-06 2.1522999996137493e-07
shell3_X-1_Y2_Z-3_mono3_fix1//test20tig_AVDZ_AVQZfit/ DONE 18.91195246037192 1 1.0 0.0 -3.6898070021607055e-06 4.060259999882909e-07 -3.6933889973056466e-06 4.659409999774322e-07
shell3_X2_Y-3_Z-1_mono2_fix1//test20tig_AVDZ_AVQZfit/ DONE 18.91195246037192 1 1.0 0.0 -3.6898070021607055e-06 4.060259999882909e-07 -3.6933889973056466e-06 4.659409999774322e-07
shell3_X-3_Y-1_Z2_mono1_fix1//test20tig_AVDZ_AVQZfit/ DONE 18.91195246037192 1 1.0 0.0 -3.6898070021607055e-06 4.060259999882909e-07 -3.6933889973056466e-06 4.659409999774322e-07
shell3_X1_Y0_Z3_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
shell3_X3_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
shell3_X0_Y3_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
shell3_X-1_Y-1_Z3_mono1_fix1//test20tig_AVDZ_AVQZfit/ DONE 18.936958948174798 1 1.0 0.0 2.163707002011961e-06 -1.65634999993447e-07 2.174104004382116e-06 -1.9003100001913076e-07
shell3_X-1_Y3_Z0_mono3_fix1//test20tig_AVDZ_AVQZfit/ DONE 18.936958948174798 1 1.0 0.0 2.163707002011961e-06 -1.65634999993447e-07 2.174104004382116e-06 -1.9003100001913076e-07
shell3_X-1_Y3_Z-1_mono3_fix1//test20tig_AVDZ_AVQZfit/ DONE 18.936958948174798 1 1.0 0.0 2.163707002011961e-06 -1.65634999993447e-07 2.174104004382116e-06 -1.9003100001913076e-07
shell3_X3_Y0_Z-1_mono2_fix1//test20tig_AVDZ_AVQZfit/ DONE 18.936958948174798 1 1.0 0.0 2.163707002011961e-06 -1.65634999993447e-07 2.174104004382116e-06 -1.9003100001913076e-07
shell3_X0_Y-1_Z3_mono1_fix1//test20tig_AVDZ_AVQZfit/ DONE 18.936958948174798 1 1.0 0.0 2.163707002011961e-06 -1.65634999993447e-07 2.174104004382116e-06 -1.9003100001913076e-07
shell3_X3_Y-1_Z-1_mono2_fix1//test20tig_AVDZ_AVQZfit/ DONE 18.936958948174798 1 1.0 0.0 2.163707002011961e-06 -1.65634999993447e-07 2.174104004382116e-06 -1.9003100001913076e-07
shell3_X2_Y-3_Z1_mono2_fix1//test20tig_AVDZ_AVQZfit/ DONE 18.967779961113717 1 1.0 0.0 2.1453340082189243e-06 -1.7618599995605777e-07 2.1632469966448298e-06 -1.9571499998427555e-07
shell3_X-3_Y1_Z2_mono1_fix1//test20tig_AVDZ_AVQZfit/ DONE 18.967779961113717 1 1.0 0.0 2.1453340082189243e-06 -1.7618599995605777e-07 2.1632469966448298e-06 -1.9571499998427555e-07
shell3_X1_Y2_Z-3_mono3_fix1//test20tig_AVDZ_AVQZfit/ DONE 18.967779961113717 1 1.0 0.0 2.1453340082189243e-06 -1.7618599995605777e-07 2.1632469966448298e-06 -1.9571499998427555e-07
shell3_X0_Y1_Z3_mono1_fix1//test20tig_AVDZ_AVQZfit/ DONE 18.99448657647157 1 1.0 0.0 7.863912998118394e-06 -8.620520000057752e-07 7.892920997676356e-06 -9.70160999980152e-07
shell3_X3_Y0_Z1_mono2_fix1//test20tig_AVDZ_AVQZfit/ DONE 18.99448657647157 1 1.0 0.0 7.863912998118394e-06 -8.620520000057752e-07 7.892920997676356e-06 -9.70160999980152e-07
shell3_X-1_Y1_Z3_mono1_fix1//test20tig_AVDZ_AVQZfit/ DONE 18.99448657647157 1 1.0 0.0 7.863912998118394e-06 -8.620520000057752e-07 7.892920997676356e-06 -9.70160999980152e-07
shell3_X1_Y3_Z-1_mono3_fix1//test20tig_AVDZ_AVQZfit/ DONE 18.99448657647157 1 1.0 0.0 7.863912998118394e-06 -8.620520000057752e-07 7.892920997676356e-06 -9.70160999980152e-07
shell3_X3_Y-1_Z1_mono2_fix1//test20tig_AVDZ_AVQZfit/ DONE 18.99448657647157 1 1.0 0.0 7.863912998118394e-06 -8.620520000057752e-07 7.892920997676356e-06 -9.70160999980152e-07
shell3_X1_Y3_Z0_mono3_fix1//test20tig_AVDZ_AVQZfit/ DONE 18.99448657647157 1 1.0 0.0 7.863912998118394e-06 -8.620520000057752e-07 7.892920997676356e-06 -9.70160999980152e-07
shell3_X1_Y-2_Z3_mono2_fix1//test20tig_AVDZ_AVQZfit/ DONE 18.99500325532568 1 1.0 0.0 7.118428996477633e-06 -7.761120000560062e-07 7.142353005917812e-06 -8.749609999858521e-07
shell3_X1_Y3_Z1_mono1_fix1//test20tig_AVDZ_AVQZfit/ DONE 18.99500325532568 1 1.0 0.0 7.118428996477633e-06 -7.761120000560062e-07 7.142353005917812e-06 -8.749609999858521e-07
shell3_X-2_Y3_Z1_mono1_fix1//test20tig_AVDZ_AVQZfit/ DONE 18.99500325532568 1 1.0 0.0 7.118428996477633e-06 -7.761120000560062e-07 7.142353005917812e-06 -8.749609999858521e-07
shell3_X3_Y1_Z1_mono3_fix1//test20tig_AVDZ_AVQZfit/ DONE 18.99500325532568 1 1.0 0.0 7.118428996477633e-06 -7.761120000560062e-07 7.142353005917812e-06 -8.749609999858521e-07
shell3_X1_Y1_Z3_mono2_fix1//test20tig_AVDZ_AVQZfit/ DONE 18.99500325532568 1 1.0 0.0 7.118428996477633e-06 -7.761120000560062e-07 7.142353005917812e-06 -8.749609999858521e-07
shell3_X3_Y1_Z-2_mono3_fix1//test20tig_AVDZ_AVQZfit/ DONE 18.99500325532568 1 1.0 0.0 7.118428996477633e-06 -7.761120000560062e-07 7.142353005917812e-06 -8.749609999858521e-07
shell3_X-1_Y-2_Z3_mono0_fix1//test20tig_AVDZ_AVQZfit/ DONE 19.214475394693856 1 1.0 0.0 8.174964008844654e-06 -7.556639999850567e-07 8.214562008390658e-06 -8.562949999901814e-07
shell3_X1_Y2_Z-3_mono0_fix1//test20tig_AVDZ_AVQZfit/ DONE 19.214475394693856 1 1.0 0.0 8.174964008844654e-06 -7.556639999850567e-07 8.214562008390658e-06 -8.562949999901814e-07
shell3_X-2_Y3_Z-1_mono0_fix1//test20tig_AVDZ_AVQZfit/ DONE 19.214475394693856 1 1.0 0.0 8.174964008844654e-06 -7.556639999850567e-07 8.214562008390658e-06 -8.562949999901814e-07
shell3_X2_Y-3_Z1_mono0_fix1//test20tig_AVDZ_AVQZfit/ DONE 19.214475394693856 1 1.0 0.0 8.174964008844654e-06 -7.556639999850567e-07 8.214562008390658e-06 -8.562949999901814e-07
shell3_X-3_Y1_Z2_mono0_fix1//test20tig_AVDZ_AVQZfit/ DONE 19.214475394693856 1 1.0 0.0 8.174964008844654e-06 -7.556639999850567e-07 8.214562008390658e-06 -8.562949999901814e-07
shell3_X3_Y-1_Z-2_mono0_fix1//test20tig_AVDZ_AVQZfit/ DONE 19.214475394693856 1 1.0 0.0 8.174964008844654e-06 -7.556639999850567e-07 8.214562008390658e-06 -8.562949999901814e-07
shell3_X1_Y-3_Z2_mono0_fix1//test20tig_AVDZ_AVQZfit/ DONE 19.214475502409893 1 1.0 0.0 8.17157700083726e-06 -7.55788000017521e-07 8.211399993740542e-06 -8.561150000307993e-07
shell3_X-1_Y3_Z-2_mono0_fix1//test20tig_AVDZ_AVQZfit/ DONE 19.214475502409893 1 1.0 0.0 8.17157700083726e-06 -7.55788000017521e-07 8.211399993740542e-06 -8.561150000307993e-07
shell3_X-2_Y-1_Z3_mono0_fix1//test20tig_AVDZ_AVQZfit/ DONE 19.214475502409893 1 1.0 0.0 8.17157700083726e-06 -7.55788000017521e-07 8.211399993740542e-06 -8.561150000307993e-07
shell3_X2_Y1_Z-3_mono0_fix1//test20tig_AVDZ_AVQZfit/ DONE 19.214475502409893 1 1.0 0.0 8.17157700083726e-06 -7.55788000017521e-07 8.211399993740542e-06 -8.561150000307993e-07
shell3_X-3_Y2_Z1_mono0_fix1//test20tig_AVDZ_AVQZfit/ DONE 19.214475502409893 1 1.0 0.0 8.17157700083726e-06 -7.55788000017521e-07 8.211399993740542e-06 -8.561150000307993e-07
shell3_X3_Y-2_Z-1_mono0_fix1//test20tig_AVDZ_AVQZfit/ DONE 19.214475502409893 1 1.0 0.0 8.17157700083726e-06 -7.55788000017521e-07 8.211399993740542e-06 -8.561150000307993e-07
shell3_X-1_Y2_Z-3_mono0_fix1//test20tig_AVDZ_AVQZfit/ DONE 19.215945125014194 1 1.0 0.0 5.581681001842753e-06 -5.524989999949881e-07 5.61245899888263e-06 -6.188199999923594e-07
shell3_X-2_Y3_Z1_mono0_fix1//test20tig_AVDZ_AVQZfit/ DONE 19.215945125014194 1 1.0 0.0 5.581681001842753e-06 -5.524989999949881e-07 5.61245899888263e-06 -6.188199999923594e-07
shell3_X-3_Y-1_Z2_mono0_fix1//test20tig_AVDZ_AVQZfit/ DONE 19.215945125014194 1 1.0 0.0 5.581681001842753e-06 -5.524989999949881e-07 5.61245899888263e-06 -6.188199999923594e-07
shell3_X3_Y1_Z-2_mono0_fix1//test20tig_AVDZ_AVQZfit/ DONE 19.215945125014194 1 1.0 0.0 5.581681001842753e-06 -5.524989999949881e-07 5.61245899888263e-06 -6.188199999923594e-07
shell3_X1_Y-2_Z3_mono0_fix1//test20tig_AVDZ_AVQZfit/ DONE 19.215945125014194 1 1.0 0.0 5.581681001842753e-06 -5.524989999949881e-07 5.61245899888263e-06 -6.188199999923594e-07
shell3_X2_Y-3_Z-1_mono0_fix1//test20tig_AVDZ_AVQZfit/ DONE 19.215945125014194 1 1.0 0.0 5.581681001842753e-06 -5.524989999949881e-07 5.61245899888263e-06 -6.188199999923594e-07
shell3_X-2_Y1_Z3_mono0_fix1//test20tig_AVDZ_AVQZfit/ DONE 19.21594943734155 1 1.0 0.0 5.792970995344149e-06 -5.604489999866402e-07 5.817644002092948e-06 -6.344429999693979e-07
shell3_X-1_Y-3_Z2_mono0_fix1//test20tig_AVDZ_AVQZfit/ DONE 19.21594943734155 1 1.0 0.0 5.792970995344149e-06 -5.604489999866402e-07 5.817644002092948e-06 -6.344429999693979e-07
shell3_X3_Y-2_Z1_mono0_fix1//test20tig_AVDZ_AVQZfit/ DONE 19.21594943734155 1 1.0 0.0 5.792970995344149e-06 -5.604489999866402e-07 5.817644002092948e-06 -6.344429999693979e-07
shell3_X1_Y3_Z-2_mono0_fix1//test20tig_AVDZ_AVQZfit/ DONE 19.21594943734155 1 1.0 0.0 5.792970995344149e-06 -5.604489999866402e-07 5.817644002092948e-06 -6.344429999693979e-07
shell3_X2_Y-1_Z-3_mono0_fix1//test20tig_AVDZ_AVQZfit/ DONE 19.21594943734155 1 1.0 0.0 5.792970995344149e-06 -5.604489999866402e-07 5.817644002092948e-06 -6.344429999693979e-07
shell3_X-3_Y2_Z-1_mono0_fix1//test20tig_AVDZ_AVQZfit/ DONE 19.21594943734155 1 1.0 0.0 5.792970995344149e-06 -5.604489999866402e-07 5.817644002092948e-06 -6.344429999693979e-07
shell3_X1_Y-3_Z-2_mono0_fix1//test20tig_AVDZ_AVQZfit/ DONE 19.220352407456637 1 1.0 0.0 -1.521770002455014e-06 6.140800001830371e-08 -1.5264949908555536e-06 8.154200001331269e-08
shell3_X-2_Y1_Z-3_mono0_fix1//test20tig_AVDZ_AVQZfit/ DONE 19.220352407456637 1 1.0 0.0 -1.521770002455014e-06 6.140800001830371e-08 -1.5264949908555536e-06 8.154200001331269e-08
shell3_X-1_Y3_Z2_mono0_fix1//test20tig_AVDZ_AVQZfit/ DONE 19.220352407456637 1 1.0 0.0 -1.521770002455014e-06 6.140800001830371e-08 -1.5264949908555536e-06 8.154200001331269e-08
shell3_X2_Y-1_Z3_mono0_fix1//test20tig_AVDZ_AVQZfit/ DONE 19.220352407456637 1 1.0 0.0 -1.521770002455014e-06 6.140800001830371e-08 -1.5264949908555536e-06 8.154200001331269e-08
shell3_X-3_Y-2_Z1_mono0_fix1//test20tig_AVDZ_AVQZfit/ DONE 19.220352407456637 1 1.0 0.0 -1.521770002455014e-06 6.140800001830371e-08 -1.5264949908555536e-06 8.154200001331269e-08
shell3_X3_Y2_Z-1_mono0_fix1//test20tig_AVDZ_AVQZfit/ DONE 19.220352407456637 1 1.0 0.0 -1.521770002455014e-06 6.140800001830371e-08 -1.5264949908555536e-06 8.154200001331269e-08
shell3_X-2_Y-3_Z1_mono0_fix1//test20tig_AVDZ_AVQZfit/ DONE 19.22035586879638 1 1.0 0.0 -1.3509489988905443e-06 5.4816000016888466e-08 -1.3607469995235988e-06 6.894599999252016e-08
shell3_X1_Y-2_Z-3_mono0_fix1//test20tig_AVDZ_AVQZfit/ DONE 19.22035586879638 1 1.0 0.0 -1.3509489988905443e-06 5.4816000016888466e-08 -1.3607469995235988e-06 6.894599999252016e-08
shell3_X2_Y3_Z-1_mono0_fix1//test20tig_AVDZ_AVQZfit/ DONE 19.22035586879638 1 1.0 0.0 -1.3509489988905443e-06 5.4816000016888466e-08 -1.3607469995235988e-06 6.894599999252016e-08
shell3_X-3_Y1_Z-2_mono0_fix1//test20tig_AVDZ_AVQZfit/ DONE 19.22035586879638 1 1.0 0.0 -1.3509489988905443e-06 5.4816000016888466e-08 -1.3607469995235988e-06 6.894599999252016e-08
shell3_X3_Y-1_Z2_mono0_fix1//test20tig_AVDZ_AVQZfit/ DONE 19.22035586879638 1 1.0 0.0 -1.3509489988905443e-06 5.4816000016888466e-08 -1.3607469995235988e-06 6.894599999252016e-08
shell3_X-1_Y2_Z3_mono0_fix1//test20tig_AVDZ_AVQZfit/ DONE 19.22035586879638 1 1.0 0.0 -1.3509489988905443e-06 5.4816000016888466e-08 -1.3607469995235988e-06 6.894599999252016e-08
shell3_X-1_Y-3_Z-2_mono0_fix1//test20tig_AVDZ_AVQZfit/ DONE 19.227670906445574 1 1.0 0.0 -1.2259283003857036e-05 1.137339000034654e-06 -1.2319074997435564e-05 1.290188999969466e-06
shell3_X1_Y3_Z2_mono0_fix1//test20tig_AVDZ_AVQZfit/ DONE 19.227670906445574 1 1.0 0.0 -1.2259283003857036e-05 1.137339000034654e-06 -1.2319074997435564e-05 1.290188999969466e-06
shell3_X-2_Y-1_Z-3_mono0_fix1//test20tig_AVDZ_AVQZfit/ DONE 19.227670906445574 1 1.0 0.0 -1.2259283003857036e-05 1.137339000034654e-06 -1.2319074997435564e-05 1.290188999969466e-06
shell3_X2_Y1_Z3_mono0_fix1//test20tig_AVDZ_AVQZfit/ DONE 19.227670906445574 1 1.0 0.0 -1.2259283003857036e-05 1.137339000034654e-06 -1.2319074997435564e-05 1.290188999969466e-06
shell3_X-3_Y-2_Z-1_mono0_fix1//test20tig_AVDZ_AVQZfit/ DONE 19.227670906445574 1 1.0 0.0 -1.2259283003857036e-05 1.137339000034654e-06 -1.2319074997435564e-05 1.290188999969466e-06
shell3_X3_Y2_Z1_mono0_fix1//test20tig_AVDZ_AVQZfit/ DONE 19.227670906445574 1 1.0 0.0 -1.2259283003857036e-05 1.137339000034654e-06 -1.2319074997435564e-05 1.290188999969466e-06
shell3_X-1_Y-2_Z-3_mono0_fix1//test20tig_AVDZ_AVQZfit/ DONE 19.22767177636903 1 1.0 0.0 -1.2215839994667022e-05 1.1355299999737944e-06 -1.227698498951213e-05 1.286990000015642e-06
shell3_X1_Y2_Z3_mono0_fix1//test20tig_AVDZ_AVQZfit/ DONE 19.22767177636903 1 1.0 0.0 -1.2215839994667022e-05 1.1355299999737944e-06 -1.227698498951213e-05 1.286990000015642e-06
shell3_X-2_Y-3_Z-1_mono0_fix1//test20tig_AVDZ_AVQZfit/ DONE 19.22767177636903 1 1.0 0.0 -1.2215839994667022e-05 1.1355299999737944e-06 -1.227698498951213e-05 1.286990000015642e-06
shell3_X2_Y3_Z1_mono0_fix1//test20tig_AVDZ_AVQZfit/ DONE 19.22767177636903 1 1.0 0.0 -1.2215839994667022e-05 1.1355299999737944e-06 -1.227698498951213e-05 1.286990000015642e-06
shell3_X-3_Y-1_Z-2_mono0_fix1//test20tig_AVDZ_AVQZfit/ DONE 19.22767177636903 1 1.0 0.0 -1.2215839994667022e-05 1.1355299999737944e-06 -1.227698498951213e-05 1.286990000015642e-06
shell3_X3_Y1_Z2_mono0_fix1//test20tig_AVDZ_AVQZfit/ DONE 19.22767177636903 1 1.0 0.0 -1.2215839994667022e-05 1.1355299999737944e-06 -1.227698498951213e-05 1.286990000015642e-06
shell3_X0_Y-2_Z3_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
shell3_X3_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
shell3_X-2_Y3_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
shell3_X0_Y1_Z3_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
shell3_X1_Y3_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
shell3_X3_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
shell3_X0_Y3_Z-2_mono3_fix1//test20tig_AVDZ_AVQZfit/ DONE 19.647524782468142 1 1.0 0.0 3.258102999836865e-06 -3.021049999607506e-07 3.2763849944217327e-06 -3.4001599999444743e-07
shell3_X-2_Y0_Z3_mono1_fix1//test20tig_AVDZ_AVQZfit/ DONE 19.647524782468142 1 1.0 0.0 3.258102999836865e-06 -3.021049999607506e-07 3.2763849944217327e-06 -3.4001599999444743e-07
shell3_X3_Y1_Z0_mono2_fix1//test20tig_AVDZ_AVQZfit/ DONE 19.647524782468142 1 1.0 0.0 3.258102999836865e-06 -3.021049999607506e-07 3.2763849944217327e-06 -3.4001599999444743e-07
shell3_X1_Y0_Z3_mono1_fix1//test20tig_AVDZ_AVQZfit/ DONE 19.647524782468142 1 1.0 0.0 3.258102999836865e-06 -3.021049999607506e-07 3.2763849944217327e-06 -3.4001599999444743e-07
shell3_X0_Y3_Z1_mono3_fix1//test20tig_AVDZ_AVQZfit/ DONE 19.647524782468142 1 1.0 0.0 3.258102999836865e-06 -3.021049999607506e-07 3.2763849944217327e-06 -3.4001599999444743e-07
shell3_X3_Y-2_Z0_mono2_fix1//test20tig_AVDZ_AVQZfit/ DONE 19.647524782468142 1 1.0 0.0 3.258102999836865e-06 -3.021049999607506e-07 3.2763849944217327e-06 -3.4001599999444743e-07
shell3_X0_Y-3_Z-3_mono1_fix1//test20tig_AVDZ_AVQZfit/ DONE 20.091568323268948 1 1.0 0.0 1.4475879993369745e-05 -1.1246119999697157e-06 1.4575538010319633e-05 -1.2736580000116682e-06
shell3_X-3_Y-3_Z-1_mono3_fix1//test20tig_AVDZ_AVQZfit/ DONE 20.091568323268948 1 1.0 0.0 1.4475879993369745e-05 -1.1246119999697157e-06 1.4575538010319633e-05 -1.2736580000116682e-06
shell3_X-1_Y-3_Z-3_mono1_fix1//test20tig_AVDZ_AVQZfit/ DONE 20.091568323268948 1 1.0 0.0 1.4475879993369745e-05 -1.1246119999697157e-06 1.4575538010319633e-05 -1.2736580000116682e-06
shell3_X-3_Y0_Z-3_mono2_fix1//test20tig_AVDZ_AVQZfit/ DONE 20.091568323268948 1 1.0 0.0 1.4475879993369745e-05 -1.1246119999697157e-06 1.4575538010319633e-05 -1.2736580000116682e-06
shell3_X-3_Y-1_Z-3_mono2_fix1//test20tig_AVDZ_AVQZfit/ DONE 20.091568323268948 1 1.0 0.0 1.4475879993369745e-05 -1.1246119999697157e-06 1.4575538010319633e-05 -1.2736580000116682e-06
shell3_X-3_Y-3_Z0_mono3_fix1//test20tig_AVDZ_AVQZfit/ DONE 20.091568323268948 1 1.0 0.0 1.4475879993369745e-05 -1.1246119999697157e-06 1.4575538010319633e-05 -1.2736580000116682e-06
shell3_X-3_Y-1_Z2_mono3_fix1//test20tig_AVDZ_AVQZfit/ DONE 20.136825261836627 1 1.0 0.0 -1.0778730015204019e-06 -3.0024999986277834e-08 -1.1011980021180534e-06 -3.306700002703167e-08
shell3_X-3_Y-1_Z-3_mono3_fix1//test20tig_AVDZ_AVQZfit/ DONE 20.136825261836627 1 1.0 0.0 -1.0778730015204019e-06 -3.0024999986277834e-08 -1.1011980021180534e-06 -3.306700002703167e-08
shell3_X-1_Y-3_Z-3_mono2_fix1//test20tig_AVDZ_AVQZfit/ DONE 20.136825261836627 1 1.0 0.0 -1.0778730015204019e-06 -3.0024999986277834e-08 -1.1011980021180534e-06 -3.306700002703167e-08
shell3_X2_Y-3_Z-1_mono1_fix1//test20tig_AVDZ_AVQZfit/ DONE 20.136825261836627 1 1.0 0.0 -1.0778730015204019e-06 -3.0024999986277834e-08 -1.1011980021180534e-06 -3.306700002703167e-08
shell3_X-3_Y-3_Z-1_mono1_fix1//test20tig_AVDZ_AVQZfit/ DONE 20.136825261836627 1 1.0 0.0 -1.0778730015204019e-06 -3.0024999986277834e-08 -1.1011980021180534e-06 -3.306700002703167e-08
shell3_X-1_Y2_Z-3_mono2_fix1//test20tig_AVDZ_AVQZfit/ DONE 20.136825261836627 1 1.0 0.0 -1.0778730015204019e-06 -3.0024999986277834e-08 -1.1011980021180534e-06 -3.306700002703167e-08
shell3_X2_Y-3_Z0_mono1_fix1//test20tig_AVDZ_AVQZfit/ DONE 20.159333175050143 1 1.0 0.0 -3.862920991082319e-06 2.254179999883199e-07 -3.896195998720486e-06 2.5963899999426054e-07
shell3_X-3_Y-3_Z0_mono1_fix1//test20tig_AVDZ_AVQZfit/ DONE 20.159333175050143 1 1.0 0.0 -3.862920991082319e-06 2.254179999883199e-07 -3.896195998720486e-06 2.5963899999426054e-07
shell3_X0_Y2_Z-3_mono2_fix1//test20tig_AVDZ_AVQZfit/ DONE 20.159333175050143 1 1.0 0.0 -3.862920991082319e-06 2.254179999883199e-07 -3.896195998720486e-06 2.5963899999426054e-07
shell3_X0_Y-3_Z-3_mono2_fix1//test20tig_AVDZ_AVQZfit/ DONE 20.159333175050143 1 1.0 0.0 -3.862920991082319e-06 2.254179999883199e-07 -3.896195998720486e-06 2.5963899999426054e-07
shell3_X-3_Y0_Z2_mono3_fix1//test20tig_AVDZ_AVQZfit/ DONE 20.159333175050143 1 1.0 0.0 -3.862920991082319e-06 2.254179999883199e-07 -3.896195998720486e-06 2.5963899999426054e-07
shell3_X-3_Y0_Z-3_mono3_fix1//test20tig_AVDZ_AVQZfit/ DONE 20.159333175050143 1 1.0 0.0 -3.862920991082319e-06 2.254179999883199e-07 -3.896195998720486e-06 2.5963899999426054e-07
shell3_X-1_Y-2_Z3_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
shell3_X3_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
shell3_X-2_Y3_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
shell3_X2_Y0_Z-3_mono2_fix1//test20tig_AVDZ_AVQZfit/ DONE 20.2039131352433 1 1.0 0.0 -2.4363939985505567e-06 1.964659999131868e-07 -2.4501799984477657e-06 2.2565799998042202e-07
shell3_X0_Y-3_Z2_mono1_fix1//test20tig_AVDZ_AVQZfit/ DONE 20.2039131352433 1 1.0 0.0 -2.4363939985505567e-06 1.964659999131868e-07 -2.4501799984477657e-06 2.2565799998042202e-07
shell3_X-1_Y-3_Z2_mono1_fix1//test20tig_AVDZ_AVQZfit/ DONE 20.2039131352433 1 1.0 0.0 -2.4363939985505567e-06 1.964659999131868e-07 -2.4501799984477657e-06 2.2565799998042202e-07
shell3_X2_Y-1_Z-3_mono2_fix1//test20tig_AVDZ_AVQZfit/ DONE 20.2039131352433 1 1.0 0.0 -2.4363939985505567e-06 1.964659999131868e-07 -2.4501799984477657e-06 2.2565799998042202e-07
shell3_X-3_Y2_Z-1_mono3_fix1//test20tig_AVDZ_AVQZfit/ DONE 20.2039131352433 1 1.0 0.0 -2.4363939985505567e-06 1.964659999131868e-07 -2.4501799984477657e-06 2.2565799998042202e-07
shell3_X-3_Y2_Z0_mono3_fix1//test20tig_AVDZ_AVQZfit/ DONE 20.2039131352433 1 1.0 0.0 -2.4363939985505567e-06 1.964659999131868e-07 -2.4501799984477657e-06 2.2565799998042202e-07
shell3_X1_Y-2_Z3_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
shell3_X3_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
shell3_X-2_Y3_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
shell3_X3_Y-3_Z0_mono3_fix1//test20tig_AVDZ_AVQZfit/ DONE 20.228939869692454 1 1.0 0.0 -1.8965739911891433e-06 1.7803800000937287e-07 -1.9021989956513607e-06 2.0563199998324677e-07
shell3_X3_Y-3_Z-1_mono3_fix1//test20tig_AVDZ_AVQZfit/ DONE 20.228939869692454 1 1.0 0.0 -1.8965739911891433e-06 1.7803800000937287e-07 -1.9021989956513607e-06 2.0563199998324677e-07
shell3_X0_Y3_Z-3_mono1_fix1//test20tig_AVDZ_AVQZfit/ DONE 20.228939869692454 1 1.0 0.0 -1.8965739911891433e-06 1.7803800000937287e-07 -1.9021989956513607e-06 2.0563199998324677e-07
shell3_X-1_Y3_Z-3_mono1_fix1//test20tig_AVDZ_AVQZfit/ DONE 20.228939869692454 1 1.0 0.0 -1.8965739911891433e-06 1.7803800000937287e-07 -1.9021989956513607e-06 2.0563199998324677e-07
shell3_X-3_Y-1_Z3_mono2_fix1//test20tig_AVDZ_AVQZfit/ DONE 20.228939869692454 1 1.0 0.0 -1.8965739911891433e-06 1.7803800000937287e-07 -1.9021989956513607e-06 2.0563199998324677e-07
shell3_X-3_Y0_Z3_mono2_fix1//test20tig_AVDZ_AVQZfit/ DONE 20.228939869692454 1 1.0 0.0 -1.8965739911891433e-06 1.7803800000937287e-07 -1.9021989956513607e-06 2.0563199998324677e-07
shell3_X3_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
shell3_X-1_Y1_Z3_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
shell3_X1_Y3_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
shell3_X-1_Y3_Z1_mono3_fix1//test20tig_AVDZ_AVQZfit/ DONE 20.27976415881698 1 1.0 0.0 5.59854008486127e-07 -1.311000003001439e-08 5.668939948577645e-07 -1.4706000001085684e-08
shell3_X-1_Y3_Z-2_mono3_fix1//test20tig_AVDZ_AVQZfit/ DONE 20.27976415881698 1 1.0 0.0 5.59854008486127e-07 -1.311000003001439e-08 5.668939948577645e-07 -1.4706000001085684e-08
shell3_X-2_Y-1_Z3_mono1_fix1//test20tig_AVDZ_AVQZfit/ DONE 20.27976415881698 1 1.0 0.0 5.59854008486127e-07 -1.311000003001439e-08 5.668939948577645e-07 -1.4706000001085684e-08
shell3_X3_Y1_Z-1_mono2_fix1//test20tig_AVDZ_AVQZfit/ DONE 20.27976415881698 1 1.0 0.0 5.59854008486127e-07 -1.311000003001439e-08 5.668939948577645e-07 -1.4706000001085684e-08
shell3_X3_Y-2_Z-1_mono2_fix1//test20tig_AVDZ_AVQZfit/ DONE 20.27976415881698 1 1.0 0.0 5.59854008486127e-07 -1.311000003001439e-08 5.668939948577645e-07 -1.4706000001085684e-08
shell3_X1_Y-1_Z3_mono1_fix1//test20tig_AVDZ_AVQZfit/ DONE 20.27976415881698 1 1.0 0.0 5.59854008486127e-07 -1.311000003001439e-08 5.668939948577645e-07 -1.4706000001085684e-08
shell3_X-1_Y2_Z3_mono2_fix1//test20tig_AVDZ_AVQZfit/ DONE 20.280903698389356 1 1.0 0.0 -8.200319996376493e-07 1.3613199995043956e-07 -8.183020057117574e-07 1.5334900002605956e-07
shell3_X-1_Y-3_Z3_mono2_fix1//test20tig_AVDZ_AVQZfit/ DONE 20.280903698389356 1 1.0 0.0 -8.200319996376493e-07 1.3613199995043956e-07 -8.183020057117574e-07 1.5334900002605956e-07
shell3_X3_Y-1_Z-3_mono3_fix1//test20tig_AVDZ_AVQZfit/ DONE 20.280903698389356 1 1.0 0.0 -8.200319996376493e-07 1.3613199995043956e-07 -8.183020057117574e-07 1.5334900002605956e-07
shell3_X2_Y3_Z-1_mono1_fix1//test20tig_AVDZ_AVQZfit/ DONE 20.280903698389356 1 1.0 0.0 -8.200319996376493e-07 1.3613199995043956e-07 -8.183020057117574e-07 1.5334900002605956e-07
shell3_X-3_Y3_Z-1_mono1_fix1//test20tig_AVDZ_AVQZfit/ DONE 20.280903698389356 1 1.0 0.0 -8.200319996376493e-07 1.3613199995043956e-07 -8.183020057117574e-07 1.5334900002605956e-07
shell3_X3_Y-1_Z2_mono3_fix1//test20tig_AVDZ_AVQZfit/ DONE 20.280903698389356 1 1.0 0.0 -8.200319996376493e-07 1.3613199995043956e-07 -8.183020057117574e-07 1.5334900002605956e-07
shell3_X1_Y3_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
shell3_X3_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
shell3_X1_Y1_Z3_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
shell3_X0_Y-3_Z3_mono2_fix1//test20tig_AVDZ_AVQZfit/ DONE 20.307012780883277 1 1.0 0.0 1.49978900054748e-06 -1.0654200000015379e-07 1.5090079941160184e-06 -1.2192099999031036e-07
shell3_X2_Y3_Z0_mono1_fix1//test20tig_AVDZ_AVQZfit/ DONE 20.307012780883277 1 1.0 0.0 1.49978900054748e-06 -1.0654200000015379e-07 1.5090079941160184e-06 -1.2192099999031036e-07
shell3_X3_Y0_Z-3_mono3_fix1//test20tig_AVDZ_AVQZfit/ DONE 20.307012780883277 1 1.0 0.0 1.49978900054748e-06 -1.0654200000015379e-07 1.5090079941160184e-06 -1.2192099999031036e-07
shell3_X0_Y2_Z3_mono2_fix1//test20tig_AVDZ_AVQZfit/ DONE 20.307012780883277 1 1.0 0.0 1.49978900054748e-06 -1.0654200000015379e-07 1.5090079941160184e-06 -1.2192099999031036e-07
shell3_X3_Y0_Z2_mono3_fix1//test20tig_AVDZ_AVQZfit/ DONE 20.307012780883277 1 1.0 0.0 1.49978900054748e-06 -1.0654200000015379e-07 1.5090079941160184e-06 -1.2192099999031036e-07
shell3_X-3_Y3_Z0_mono1_fix1//test20tig_AVDZ_AVQZfit/ DONE 20.307012780883277 1 1.0 0.0 1.49978900054748e-06 -1.0654200000015379e-07 1.5090079941160184e-06 -1.2192099999031036e-07
shell3_X1_Y3_Z-2_mono3_fix1//test20tig_AVDZ_AVQZfit/ DONE 20.332764751872624 1 1.0 0.0 5.0829739990376765e-06 -5.304460000687961e-07 5.104925001830907e-06 -5.969139999784101e-07
shell3_X-2_Y1_Z3_mono1_fix1//test20tig_AVDZ_AVQZfit/ DONE 20.332764751872624 1 1.0 0.0 5.0829739990376765e-06 -5.304460000687961e-07 5.104925001830907e-06 -5.969139999784101e-07
shell3_X3_Y1_Z1_mono2_fix1//test20tig_AVDZ_AVQZfit/ DONE 20.332764751872624 1 1.0 0.0 5.0829739990376765e-06 -5.304460000687961e-07 5.104925001830907e-06 -5.969139999784101e-07
shell3_X1_Y1_Z3_mono1_fix1//test20tig_AVDZ_AVQZfit/ DONE 20.332764751872624 1 1.0 0.0 5.0829739990376765e-06 -5.304460000687961e-07 5.104925001830907e-06 -5.969139999784101e-07
shell3_X1_Y3_Z1_mono3_fix1//test20tig_AVDZ_AVQZfit/ DONE 20.332764751872624 1 1.0 0.0 5.0829739990376765e-06 -5.304460000687961e-07 5.104925001830907e-06 -5.969139999784101e-07
shell3_X3_Y-2_Z1_mono2_fix1//test20tig_AVDZ_AVQZfit/ DONE 20.332764751872624 1 1.0 0.0 5.0829739990376765e-06 -5.304460000687961e-07 5.104925001830907e-06 -5.969139999784101e-07
shell3_X-1_Y3_Z2_mono1_fix1//test20tig_AVDZ_AVQZfit/ DONE 20.359277175920525 1 1.0 0.0 8.19416599995293e-06 -9.293990000380781e-07 8.218900994449996e-06 -1.0470700000098088e-06
shell3_X2_Y0_Z3_mono2_fix1//test20tig_AVDZ_AVQZfit/ DONE 20.359277175920525 1 1.0 0.0 8.19416599995293e-06 -9.293990000380781e-07 8.218900994449996e-06 -1.0470700000098088e-06
shell3_X3_Y2_Z0_mono3_fix1//test20tig_AVDZ_AVQZfit/ DONE 20.359277175920525 1 1.0 0.0 8.19416599995293e-06 -9.293990000380781e-07 8.218900994449996e-06 -1.0470700000098088e-06
shell3_X0_Y3_Z2_mono1_fix1//test20tig_AVDZ_AVQZfit/ DONE 20.359277175920525 1 1.0 0.0 8.19416599995293e-06 -9.293990000380781e-07 8.218900994449996e-06 -1.0470700000098088e-06
shell3_X2_Y-1_Z3_mono2_fix1//test20tig_AVDZ_AVQZfit/ DONE 20.359277175920525 1 1.0 0.0 8.19416599995293e-06 -9.293990000380781e-07 8.218900994449996e-06 -1.0470700000098088e-06
shell3_X3_Y2_Z-1_mono3_fix1//test20tig_AVDZ_AVQZfit/ DONE 20.359277175920525 1 1.0 0.0 8.19416599995293e-06 -9.293990000380781e-07 8.218900994449996e-06 -1.0470700000098088e-06
shell3_X-2_Y-3_Z-3_mono3_fix1//test20tig_AVDZ_AVQZfit/ DONE 20.75822213125076 1 1.0 0.0 2.607662004550093e-06 -3.138510000222361e-07 2.61287400604715e-06 -3.5280700000361875e-07
shell3_X2_Y-2_Z-3_mono1_fix1//test20tig_AVDZ_AVQZfit/ DONE 20.75822213125076 1 1.0 0.0 2.607662004550093e-06 -3.138510000222361e-07 2.61287400604715e-06 -3.5280700000361875e-07
shell3_X-2_Y-3_Z2_mono3_fix1//test20tig_AVDZ_AVQZfit/ DONE 20.75822213125076 1 1.0 0.0 2.607662004550093e-06 -3.138510000222361e-07 2.61287400604715e-06 -3.5280700000361875e-07
shell3_X-3_Y2_Z-2_mono2_fix1//test20tig_AVDZ_AVQZfit/ DONE 20.75822213125076 1 1.0 0.0 2.607662004550093e-06 -3.138510000222361e-07 2.61287400604715e-06 -3.5280700000361875e-07
shell3_X-3_Y-2_Z-3_mono1_fix1//test20tig_AVDZ_AVQZfit/ DONE 20.75822213125076 1 1.0 0.0 2.607662004550093e-06 -3.138510000222361e-07 2.61287400604715e-06 -3.5280700000361875e-07
shell3_X-3_Y-3_Z-2_mono2_fix1//test20tig_AVDZ_AVQZfit/ DONE 20.75822213125076 1 1.0 0.0 2.607662004550093e-06 -3.138510000222361e-07 2.61287400604715e-06 -3.5280700000361875e-07
shell3_X-1_Y3_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
shell3_X-2_Y-1_Z3_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
shell3_X3_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
shell3_X0_Y3_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
shell3_X-2_Y0_Z3_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
shell3_X3_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
shell3_X-3_Y2_Z-3_mono1_fix1//test20tig_AVDZ_AVQZfit/ DONE 20.84713307615708 1 1.0 0.0 -4.580987003066639e-06 3.927449999663324e-07 -4.6040909964517596e-06 4.493560000207175e-07
shell3_X-3_Y-3_Z2_mono2_fix1//test20tig_AVDZ_AVQZfit/ DONE 20.84713307615708 1 1.0 0.0 -4.580987003066639e-06 3.927449999663324e-07 -4.6040909964517596e-06 4.493560000207175e-07
shell3_X2_Y2_Z-3_mono1_fix1//test20tig_AVDZ_AVQZfit/ DONE 20.84713307615708 1 1.0 0.0 -4.580987003066639e-06 3.927449999663324e-07 -4.6040909964517596e-06 4.493560000207175e-07
shell3_X2_Y-3_Z2_mono3_fix1//test20tig_AVDZ_AVQZfit/ DONE 20.84713307615708 1 1.0 0.0 -4.580987003066639e-06 3.927449999663324e-07 -4.6040909964517596e-06 4.493560000207175e-07
shell3_X2_Y-3_Z-3_mono3_fix1//test20tig_AVDZ_AVQZfit/ DONE 20.84713307615708 1 1.0 0.0 -4.580987003066639e-06 3.927449999663324e-07 -4.6040909964517596e-06 4.493560000207175e-07
shell3_X-3_Y2_Z2_mono2_fix1//test20tig_AVDZ_AVQZfit/ DONE 20.84713307615708 1 1.0 0.0 -4.580987003066639e-06 3.927449999663324e-07 -4.6040909964517596e-06 4.493560000207175e-07
shell3_X-2_Y2_Z-3_mono3_fix1//test20tig_AVDZ_AVQZfit/ DONE 20.870837246198573 1 1.0 0.0 -3.905402003567815e-06 3.714149999778371e-07 -3.919521994077968e-06 4.2499499999792967e-07
shell3_X2_Y-3_Z-2_mono2_fix1//test20tig_AVDZ_AVQZfit/ DONE 20.870837246198573 1 1.0 0.0 -3.905402003567815e-06 3.714149999778371e-07 -3.919521994077968e-06 4.2499499999792967e-07
shell3_X-3_Y-2_Z2_mono1_fix1//test20tig_AVDZ_AVQZfit/ DONE 20.870837246198573 1 1.0 0.0 -3.905402003567815e-06 3.714149999778371e-07 -3.919521994077968e-06 4.2499499999792967e-07
shell3_X-1_Y-2_Z3_mono1_fix1//test20tig_AVDZ_AVQZfit/ DONE 20.893025059773123 1 1.0 0.0 -4.90772002592621e-07 7.806799995346836e-08 -4.927179944047566e-07 8.657999997496724e-08
shell3_X-2_Y3_Z0_mono3_fix1//test20tig_AVDZ_AVQZfit/ DONE 20.893025059773123 1 1.0 0.0 -4.90772002592621e-07 7.806799995346836e-08 -4.927179944047566e-07 8.657999997496724e-08
shell3_X3_Y0_Z-2_mono2_fix1//test20tig_AVDZ_AVQZfit/ DONE 20.893025059773123 1 1.0 0.0 -4.90772002592621e-07 7.806799995346836e-08 -4.927179944047566e-07 8.657999997496724e-08
shell3_X3_Y-1_Z-2_mono2_fix1//test20tig_AVDZ_AVQZfit/ DONE 20.893025059773123 1 1.0 0.0 -4.90772002592621e-07 7.806799995346836e-08 -4.927179944047566e-07 8.657999997496724e-08
shell3_X0_Y-2_Z3_mono1_fix1//test20tig_AVDZ_AVQZfit/ DONE 20.893025059773123 1 1.0 0.0 -4.90772002592621e-07 7.806799995346836e-08 -4.927179944047566e-07 8.657999997496724e-08
shell3_X-2_Y3_Z-1_mono3_fix1//test20tig_AVDZ_AVQZfit/ DONE 20.893025059773123 1 1.0 0.0 -4.90772002592621e-07 7.806799995346836e-08 -4.927179944047566e-07 8.657999997496724e-08
shell3_X-1_Y3_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
shell3_X2_Y-1_Z3_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
shell3_X3_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
shell3_X3_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
shell3_X0_Y3_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
shell3_X2_Y0_Z3_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
shell3_X2_Y-3_Z2_mono2_fix1//test20tig_AVDZ_AVQZfit/ DONE 20.970674610587963 1 1.0 0.0 3.3445540026377785e-06 -3.310210000551095e-07 3.3602989972791875e-06 -3.7304100003465734e-07
shell3_X-3_Y2_Z2_mono1_fix1//test20tig_AVDZ_AVQZfit/ DONE 20.970674610587963 1 1.0 0.0 3.3445540026377785e-06 -3.310210000551095e-07 3.3602989972791875e-06 -3.7304100003465734e-07
shell3_X2_Y2_Z-3_mono3_fix1//test20tig_AVDZ_AVQZfit/ DONE 20.970674610587963 1 1.0 0.0 3.3445540026377785e-06 -3.310210000551095e-07 3.3602989972791875e-06 -3.7304100003465734e-07
shell3_X3_Y-1_Z2_mono2_fix1//test20tig_AVDZ_AVQZfit/ DONE 20.995321318631785 1 1.0 0.0 7.110530006571025e-06 -7.92845999963987e-07 7.134441993628116e-06 -8.928109999917222e-07
shell3_X-1_Y2_Z3_mono1_fix1//test20tig_AVDZ_AVQZfit/ DONE 20.995321318631785 1 1.0 0.0 7.110530006571025e-06 -7.92845999963987e-07 7.134441993628116e-06 -8.928109999917222e-07
shell3_X2_Y3_Z0_mono3_fix1//test20tig_AVDZ_AVQZfit/ DONE 20.995321318631785 1 1.0 0.0 7.110530006571025e-06 -7.92845999963987e-07 7.134441993628116e-06 -8.928109999917222e-07
shell3_X2_Y3_Z-1_mono3_fix1//test20tig_AVDZ_AVQZfit/ DONE 20.995321318631785 1 1.0 0.0 7.110530006571025e-06 -7.92845999963987e-07 7.134441993628116e-06 -8.928109999917222e-07
shell3_X3_Y0_Z2_mono2_fix1//test20tig_AVDZ_AVQZfit/ DONE 20.995321318631785 1 1.0 0.0 7.110530006571025e-06 -7.92845999963987e-07 7.134441993628116e-06 -8.928109999917222e-07
shell3_X0_Y2_Z3_mono1_fix1//test20tig_AVDZ_AVQZfit/ DONE 20.995321318631785 1 1.0 0.0 7.110530006571025e-06 -7.92845999963987e-07 7.134441993628116e-06 -8.928109999917222e-07
shell3_X-2_Y3_Z-2_mono0_fix1//test20tig_AVDZ_AVQZfit/ DONE 21.170113078390777 1 1.0 0.0 5.688193994046742e-06 -5.28732000071308e-07 5.715930008420855e-06 -5.987499999970947e-07
shell3_X2_Y-3_Z2_mono0_fix1//test20tig_AVDZ_AVQZfit/ DONE 21.170113078390777 1 1.0 0.0 5.688193994046742e-06 -5.28732000071308e-07 5.715930008420855e-06 -5.987499999970947e-07
shell3_X-3_Y2_Z2_mono0_fix1//test20tig_AVDZ_AVQZfit/ DONE 21.170113078390777 1 1.0 0.0 5.688193994046742e-06 -5.28732000071308e-07 5.715930008420855e-06 -5.987499999970947e-07
shell3_X-2_Y-2_Z3_mono0_fix1//test20tig_AVDZ_AVQZfit/ DONE 21.170113078390777 1 1.0 0.0 5.688193994046742e-06 -5.28732000071308e-07 5.715930008420855e-06 -5.987499999970947e-07
shell3_X2_Y2_Z-3_mono0_fix1//test20tig_AVDZ_AVQZfit/ DONE 21.170113078390777 1 1.0 0.0 5.688193994046742e-06 -5.28732000071308e-07 5.715930008420855e-06 -5.987499999970947e-07
shell3_X3_Y-2_Z-2_mono0_fix1//test20tig_AVDZ_AVQZfit/ DONE 21.170113078390777 1 1.0 0.0 5.688193994046742e-06 -5.28732000071308e-07 5.715930008420855e-06 -5.987499999970947e-07
shell3_X-2_Y2_Z-3_mono0_fix1//test20tig_AVDZ_AVQZfit/ DONE 21.17231047613628 1 1.0 0.0 2.662148993692881e-06 -2.781449999211816e-07 2.6766580063508627e-06 -3.098649999921932e-07
shell3_X-2_Y3_Z2_mono0_fix1//test20tig_AVDZ_AVQZfit/ DONE 21.17231047613628 1 1.0 0.0 2.662148993692881e-06 -2.781449999211816e-07 2.6766580063508627e-06 -3.098649999921932e-07
shell3_X2_Y-3_Z-2_mono0_fix1//test20tig_AVDZ_AVQZfit/ DONE 21.17231047613628 1 1.0 0.0 2.662148993692881e-06 -2.781449999211816e-07 2.6766580063508627e-06 -3.098649999921932e-07
shell3_X-3_Y-2_Z2_mono0_fix1//test20tig_AVDZ_AVQZfit/ DONE 21.17231047613628 1 1.0 0.0 2.662148993692881e-06 -2.781449999211816e-07 2.6766580063508627e-06 -3.098649999921932e-07
shell3_X3_Y2_Z-2_mono0_fix1//test20tig_AVDZ_AVQZfit/ DONE 21.17231047613628 1 1.0 0.0 2.662148993692881e-06 -2.781449999211816e-07 2.6766580063508627e-06 -3.098649999921932e-07
shell3_X2_Y-2_Z3_mono0_fix1//test20tig_AVDZ_AVQZfit/ DONE 21.17231047613628 1 1.0 0.0 2.662148993692881e-06 -2.781449999211816e-07 2.6766580063508627e-06 -3.098649999921932e-07
shell3_X-2_Y2_Z3_mono0_fix1//test20tig_AVDZ_AVQZfit/ DONE 21.172312652651065 1 1.0 0.0 2.7509779982892724e-06 -2.8133199997393277e-07 2.762884001583643e-06 -3.1642800002451565e-07
shell3_X-2_Y-3_Z2_mono0_fix1//test20tig_AVDZ_AVQZfit/ DONE 21.172312652651065 1 1.0 0.0 2.7509779982892724e-06 -2.8133199997393277e-07 2.762884001583643e-06 -3.1642800002451565e-07
shell3_X-3_Y2_Z-2_mono0_fix1//test20tig_AVDZ_AVQZfit/ DONE 21.172312652651065 1 1.0 0.0 2.7509779982892724e-06 -2.8133199997393277e-07 2.762884001583643e-06 -3.1642800002451565e-07
shell3_X3_Y-2_Z2_mono0_fix1//test20tig_AVDZ_AVQZfit/ DONE 21.172312652651065 1 1.0 0.0 2.7509779982892724e-06 -2.8133199997393277e-07 2.762884001583643e-06 -3.1642800002451565e-07
shell3_X2_Y-2_Z-3_mono0_fix1//test20tig_AVDZ_AVQZfit/ DONE 21.172312652651065 1 1.0 0.0 2.7509779982892724e-06 -2.8133199997393277e-07 2.762884001583643e-06 -3.1642800002451565e-07
shell3_X2_Y3_Z-2_mono0_fix1//test20tig_AVDZ_AVQZfit/ DONE 21.172312652651065 1 1.0 0.0 2.7509779982892724e-06 -2.8133199997393277e-07 2.762884001583643e-06 -3.1642800002451565e-07
shell3_X-2_Y-2_Z-3_mono0_fix1//test20tig_AVDZ_AVQZfit/ DONE 21.183261717605372 1 1.0 0.0 -1.0850077991619855e-05 1.0342250000294761e-06 -1.0903555988761582e-05 1.1695150000101684e-06
shell3_X-2_Y-3_Z-2_mono0_fix1//test20tig_AVDZ_AVQZfit/ DONE 21.183261717605372 1 1.0 0.0 -1.0850077991619855e-05 1.0342250000294761e-06 -1.0903555988761582e-05 1.1695150000101684e-06
shell3_X2_Y3_Z2_mono0_fix1//test20tig_AVDZ_AVQZfit/ DONE 21.183261717605372 1 1.0 0.0 -1.0850077991619855e-05 1.0342250000294761e-06 -1.0903555988761582e-05 1.1695150000101684e-06
shell3_X3_Y2_Z2_mono0_fix1//test20tig_AVDZ_AVQZfit/ DONE 21.183261717605372 1 1.0 0.0 -1.0850077991619855e-05 1.0342250000294761e-06 -1.0903555988761582e-05 1.1695150000101684e-06
shell3_X2_Y2_Z3_mono0_fix1//test20tig_AVDZ_AVQZfit/ DONE 21.183261717605372 1 1.0 0.0 -1.0850077991619855e-05 1.0342250000294761e-06 -1.0903555988761582e-05 1.1695150000101684e-06
shell3_X-3_Y-2_Z-2_mono0_fix1//test20tig_AVDZ_AVQZfit/ DONE 21.183261717605372 1 1.0 0.0 -1.0850077991619855e-05 1.0342250000294761e-06 -1.0903555988761582e-05 1.1695150000101684e-06
shell3_X1_Y-3_Z-3_mono1_fix1//test20tig_AVDZ_AVQZfit/ DONE 21.361028207975217 1 1.0 0.0 8.791928003404337e-06 -7.29208000038728e-07 8.845329006135216e-06 -8.26359000033472e-07
shell3_X-2_Y-3_Z-3_mono1_fix1//test20tig_AVDZ_AVQZfit/ DONE 21.361028207975217 1 1.0 0.0 8.791928003404337e-06 -7.29208000038728e-07 8.845329006135216e-06 -8.26359000033472e-07
shell3_X-3_Y1_Z-3_mono2_fix1//test20tig_AVDZ_AVQZfit/ DONE 21.361028207975217 1 1.0 0.0 8.791928003404337e-06 -7.29208000038728e-07 8.845329006135216e-06 -8.26359000033472e-07
shell3_X-3_Y-2_Z-3_mono2_fix1//test20tig_AVDZ_AVQZfit/ DONE 21.361028207975217 1 1.0 0.0 8.791928003404337e-06 -7.29208000038728e-07 8.845329006135216e-06 -8.26359000033472e-07
shell3_X-3_Y-3_Z1_mono3_fix1//test20tig_AVDZ_AVQZfit/ DONE 21.361028207975217 1 1.0 0.0 8.791928003404337e-06 -7.29208000038728e-07 8.845329006135216e-06 -8.26359000033472e-07
shell3_X-3_Y-3_Z-2_mono3_fix1//test20tig_AVDZ_AVQZfit/ DONE 21.361028207975217 1 1.0 0.0 8.791928003404337e-06 -7.29208000038728e-07 8.845329006135216e-06 -8.26359000033472e-07
shell3_X2_Y-3_Z-2_mono1_fix1//test20tig_AVDZ_AVQZfit/ DONE 21.38254032981365 1 1.0 0.0 2.1378659980086923e-06 -2.58824999932461e-07 2.1384910056099216e-06 -2.934509999719115e-07
shell3_X-2_Y-3_Z-3_mono2_fix1//test20tig_AVDZ_AVQZfit/ DONE 21.38254032981365 1 1.0 0.0 2.1378659980086923e-06 -2.58824999932461e-07 2.1384910056099216e-06 -2.934509999719115e-07
shell3_X-2_Y2_Z-3_mono2_fix1//test20tig_AVDZ_AVQZfit/ DONE 21.38254032981365 1 1.0 0.0 2.1378659980086923e-06 -2.58824999932461e-07 2.1384910056099216e-06 -2.934509999719115e-07
shell3_X-3_Y-2_Z-3_mono3_fix1//test20tig_AVDZ_AVQZfit/ DONE 21.38254032981365 1 1.0 0.0 2.1378659980086923e-06 -2.58824999932461e-07 2.1384910056099216e-06 -2.934509999719115e-07
shell3_X-3_Y-3_Z-2_mono1_fix1//test20tig_AVDZ_AVQZfit/ DONE 21.38254032981365 1 1.0 0.0 2.1378659980086923e-06 -2.58824999932461e-07 2.1384910056099216e-06 -2.934509999719115e-07
shell3_X-3_Y-2_Z2_mono3_fix1//test20tig_AVDZ_AVQZfit/ DONE 21.38254032981365 1 1.0 0.0 2.1378659980086923e-06 -2.58824999932461e-07 2.1384910056099216e-06 -2.934509999719115e-07
shell3_X2_Y-3_Z1_mono1_fix1//test20tig_AVDZ_AVQZfit/ DONE 21.446705446986194 1 1.0 0.0 -4.000949999749537e-06 3.028139999861068e-07 -4.02546299937967e-06 3.4755600000768716e-07
shell3_X-3_Y1_Z2_mono3_fix1//test20tig_AVDZ_AVQZfit/ DONE 21.446705446986194 1 1.0 0.0 -4.000949999749537e-06 3.028139999861068e-07 -4.02546299937967e-06 3.4755600000768716e-07
shell3_X-3_Y1_Z-3_mono3_fix1//test20tig_AVDZ_AVQZfit/ DONE 21.446705446986194 1 1.0 0.0 -4.000949999749537e-06 3.028139999861068e-07 -4.02546299937967e-06 3.4755600000768716e-07
shell3_X-3_Y-3_Z1_mono1_fix1//test20tig_AVDZ_AVQZfit/ DONE 21.446705446986194 1 1.0 0.0 -4.000949999749537e-06 3.028139999861068e-07 -4.02546299937967e-06 3.4755600000768716e-07
shell3_X1_Y2_Z-3_mono2_fix1//test20tig_AVDZ_AVQZfit/ DONE 21.446705446986194 1 1.0 0.0 -4.000949999749537e-06 3.028139999861068e-07 -4.02546299937967e-06 3.4755600000768716e-07
shell3_X1_Y-3_Z-3_mono2_fix1//test20tig_AVDZ_AVQZfit/ DONE 21.446705446986194 1 1.0 0.0 -4.000949999749537e-06 3.028139999861068e-07 -4.02546299937967e-06 3.4755600000768716e-07
shell3_X-3_Y2_Z1_mono3_fix1//test20tig_AVDZ_AVQZfit/ DONE 21.467874246703666 1 1.0 0.0 -2.714987992646911e-06 2.268250000603267e-07 -2.7289999948720833e-06 2.601710000216251e-07
shell3_X-3_Y2_Z-2_mono3_fix1//test20tig_AVDZ_AVQZfit/ DONE 21.467874246703666 1 1.0 0.0 -2.714987992646911e-06 2.268250000603267e-07 -2.7289999948720833e-06 2.601710000216251e-07
shell3_X2_Y1_Z-3_mono2_fix1//test20tig_AVDZ_AVQZfit/ DONE 21.467874246703666 1 1.0 0.0 -2.714987992646911e-06 2.268250000603267e-07 -2.7289999948720833e-06 2.601710000216251e-07
shell3_X2_Y-2_Z-3_mono2_fix1//test20tig_AVDZ_AVQZfit/ DONE 21.467874246703666 1 1.0 0.0 -2.714987992646911e-06 2.268250000603267e-07 -2.7289999948720833e-06 2.601710000216251e-07
shell3_X1_Y-3_Z2_mono1_fix1//test20tig_AVDZ_AVQZfit/ DONE 21.467874246703666 1 1.0 0.0 -2.714987992646911e-06 2.268250000603267e-07 -2.7289999948720833e-06 2.601710000216251e-07
shell3_X-2_Y-3_Z2_mono1_fix1//test20tig_AVDZ_AVQZfit/ DONE 21.467874246703666 1 1.0 0.0 -2.714987992646911e-06 2.268250000603267e-07 -2.7289999948720833e-06 2.601710000216251e-07
shell3_X1_Y3_Z-3_mono1_fix1//test20tig_AVDZ_AVQZfit/ DONE 21.491163287269078 1 1.0 0.0 -2.227733006066046e-06 2.1211400003107173e-07 -2.2361169982332285e-06 2.4275900001313744e-07
shell3_X-2_Y3_Z-3_mono1_fix1//test20tig_AVDZ_AVQZfit/ DONE 21.491163287269078 1 1.0 0.0 -2.227733006066046e-06 2.1211400003107173e-07 -2.2361169982332285e-06 2.4275900001313744e-07
shell3_X-3_Y1_Z3_mono2_fix1//test20tig_AVDZ_AVQZfit/ DONE 21.491163287269078 1 1.0 0.0 -2.227733006066046e-06 2.1211400003107173e-07 -2.2361169982332285e-06 2.4275900001313744e-07
shell3_X3_Y-3_Z1_mono3_fix1//test20tig_AVDZ_AVQZfit/ DONE 21.491163287269078 1 1.0 0.0 -2.227733006066046e-06 2.1211400003107173e-07 -2.2361169982332285e-06 2.4275900001313744e-07
shell3_X3_Y-3_Z-2_mono3_fix1//test20tig_AVDZ_AVQZfit/ DONE 21.491163287269078 1 1.0 0.0 -2.227733006066046e-06 2.1211400003107173e-07 -2.2361169982332285e-06 2.4275900001313744e-07
shell3_X-3_Y-2_Z3_mono2_fix1//test20tig_AVDZ_AVQZfit/ DONE 21.491163287269078 1 1.0 0.0 -2.227733006066046e-06 2.1211400003107173e-07 -2.2361169982332285e-06 2.4275900001313744e-07
shell3_X3_Y-2_Z-3_mono3_fix1//test20tig_AVDZ_AVQZfit/ DONE 21.515434073403377 1 1.0 0.0 -2.327350998143629e-06 2.5418599997051317e-07 -2.333801994325313e-06 2.888870000161692e-07
shell3_X3_Y-2_Z2_mono3_fix1//test20tig_AVDZ_AVQZfit/ DONE 21.515434073403377 1 1.0 0.0 -2.327350998143629e-06 2.5418599997051317e-07 -2.333801994325313e-06 2.888870000161692e-07
shell3_X-3_Y3_Z-2_mono1_fix1//test20tig_AVDZ_AVQZfit/ DONE 21.515434073403377 1 1.0 0.0 -2.327350998143629e-06 2.5418599997051317e-07 -2.333801994325313e-06 2.888870000161692e-07
shell3_X-2_Y2_Z3_mono2_fix1//test20tig_AVDZ_AVQZfit/ DONE 21.515434073403377 1 1.0 0.0 -2.327350998143629e-06 2.5418599997051317e-07 -2.333801994325313e-06 2.888870000161692e-07
shell3_X2_Y3_Z-2_mono1_fix1//test20tig_AVDZ_AVQZfit/ DONE 21.515434073403377 1 1.0 0.0 -2.327350998143629e-06 2.5418599997051317e-07 -2.333801994325313e-06 2.888870000161692e-07
shell3_X-2_Y-3_Z3_mono2_fix1//test20tig_AVDZ_AVQZfit/ DONE 21.515434073403377 1 1.0 0.0 -2.327350998143629e-06 2.5418599997051317e-07 -2.333801994325313e-06 2.888870000161692e-07
shell3_X1_Y-3_Z3_mono2_fix1//test20tig_AVDZ_AVQZfit/ DONE 21.588605670396934 1 1.0 0.0 2.924017991290384e-06 -2.8135100005322045e-07 2.9365439999651244e-06 -3.185400000160765e-07
shell3_X2_Y3_Z1_mono1_fix1//test20tig_AVDZ_AVQZfit/ DONE 21.588605670396934 1 1.0 0.0 2.924017991290384e-06 -2.8135100005322045e-07 2.9365439999651244e-06 -3.185400000160765e-07
shell3_X3_Y1_Z2_mono3_fix1//test20tig_AVDZ_AVQZfit/ DONE 21.588605670396934 1 1.0 0.0 2.924017991290384e-06 -2.8135100005322045e-07 2.9365439999651244e-06 -3.185400000160765e-07
shell3_X3_Y1_Z-3_mono3_fix1//test20tig_AVDZ_AVQZfit/ DONE 21.588605670396934 1 1.0 0.0 2.924017991290384e-06 -2.8135100005322045e-07 2.9365439999651244e-06 -3.185400000160765e-07
shell3_X1_Y2_Z3_mono2_fix1//test20tig_AVDZ_AVQZfit/ DONE 21.588605670396934 1 1.0 0.0 2.924017991290384e-06 -2.8135100005322045e-07 2.9365439999651244e-06 -3.185400000160765e-07
shell3_X-3_Y3_Z1_mono1_fix1//test20tig_AVDZ_AVQZfit/ DONE 21.588605670396934 1 1.0 0.0 2.924017991290384e-06 -2.8135100005322045e-07 2.9365439999651244e-06 -3.185400000160765e-07
shell3_X-2_Y3_Z2_mono1_fix1//test20tig_AVDZ_AVQZfit/ DONE 21.613014242911007 1 1.0 0.0 5.822048997572438e-06 -6.362569999751599e-07 5.841606999013038e-06 -7.174580000102182e-07
shell3_X2_Y1_Z3_mono2_fix1//test20tig_AVDZ_AVQZfit/ DONE 21.613014242911007 1 1.0 0.0 5.822048997572438e-06 -6.362569999751599e-07 5.841606999013038e-06 -7.174580000102182e-07
shell3_X3_Y2_Z1_mono3_fix1//test20tig_AVDZ_AVQZfit/ DONE 21.613014242911007 1 1.0 0.0 5.822048997572438e-06 -6.362569999751599e-07 5.841606999013038e-06 -7.174580000102182e-07
shell3_X3_Y2_Z-2_mono3_fix1//test20tig_AVDZ_AVQZfit/ DONE 21.613014242911007 1 1.0 0.0 5.822048997572438e-06 -6.362569999751599e-07 5.841606999013038e-06 -7.174580000102182e-07
shell3_X1_Y3_Z2_mono1_fix1//test20tig_AVDZ_AVQZfit/ DONE 21.613014242911007 1 1.0 0.0 5.822048997572438e-06 -6.362569999751599e-07 5.841606999013038e-06 -7.174580000102182e-07
shell3_X2_Y-2_Z3_mono2_fix1//test20tig_AVDZ_AVQZfit/ DONE 21.613014242911007 1 1.0 0.0 5.822048997572438e-06 -6.362569999751599e-07 5.841606999013038e-06 -7.174580000102182e-07
shell3_X0_Y-3_Z3_mono0_fix1//test20tig_AVDZ_AVQZfit/ DONE 21.78265508729638 1 1.0 0.0 5.568747006634567e-06 -5.129700000328086e-07 5.595669001934311e-06 -5.816090000165808e-07
shell3_X-3_Y0_Z3_mono0_fix1//test20tig_AVDZ_AVQZfit/ DONE 21.78265508729638 1 1.0 0.0 5.568747006634567e-06 -5.129700000328086e-07 5.595669001934311e-06 -5.816090000165808e-07
shell3_X3_Y0_Z-3_mono0_fix1//test20tig_AVDZ_AVQZfit/ DONE 21.78265508729638 1 1.0 0.0 5.568747006634567e-06 -5.129700000328086e-07 5.595669001934311e-06 -5.816090000165808e-07
shell3_X3_Y-3_Z0_mono0_fix1//test20tig_AVDZ_AVQZfit/ DONE 21.78265508729638 1 1.0 0.0 5.568747006634567e-06 -5.129700000328086e-07 5.595669001934311e-06 -5.816090000165808e-07
shell3_X0_Y3_Z-3_mono0_fix1//test20tig_AVDZ_AVQZfit/ DONE 21.78265508729638 1 1.0 0.0 5.568747006634567e-06 -5.129700000328086e-07 5.595669001934311e-06 -5.816090000165808e-07
shell3_X-3_Y3_Z0_mono0_fix1//test20tig_AVDZ_AVQZfit/ DONE 21.78265508729638 1 1.0 0.0 5.568747006634567e-06 -5.129700000328086e-07 5.595669001934311e-06 -5.816090000165808e-07
shell3_X0_Y3_Z3_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
shell3_X0_Y-3_Z-3_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
shell3_X-3_Y0_Z-3_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
shell3_X3_Y0_Z3_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
shell3_X-3_Y-3_Z0_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
shell3_X3_Y3_Z0_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
shell3_X-2_Y-2_Z3_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
shell3_X-2_Y3_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
shell3_X3_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
shell3_X0_Y-3_Z3_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
shell3_X3_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
shell3_X-3_Y3_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
shell3_X1_Y3_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
shell3_X-2_Y1_Z3_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
shell3_X3_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
shell3_X2_Y-2_Z3_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
shell3_X-2_Y3_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
shell3_X3_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
shell3_X3_Y1_Z-2_mono2_fix1//test20tig_AVDZ_AVQZfit/ DONE 22.117519268110076 1 1.0 0.0 -1.094334997731039e-06 1.2828099998918319e-07 -1.0972850006396584e-06 1.4527300001843102e-07
shell3_X1_Y-2_Z3_mono1_fix1//test20tig_AVDZ_AVQZfit/ DONE 22.117519268110076 1 1.0 0.0 -1.094334997731039e-06 1.2828099998918319e-07 -1.0972850006396584e-06 1.4527300001843102e-07
shell3_X-2_Y-2_Z3_mono1_fix1//test20tig_AVDZ_AVQZfit/ DONE 22.117519268110076 1 1.0 0.0 -1.094334997731039e-06 1.2828099998918319e-07 -1.0972850006396584e-06 1.4527300001843102e-07
shell3_X-2_Y3_Z-2_mono3_fix1//test20tig_AVDZ_AVQZfit/ DONE 22.117519268110076 1 1.0 0.0 -1.094334997731039e-06 1.2828099998918319e-07 -1.0972850006396584e-06 1.4527300001843102e-07
shell3_X3_Y-2_Z-2_mono2_fix1//test20tig_AVDZ_AVQZfit/ DONE 22.117519268110076 1 1.0 0.0 -1.094334997731039e-06 1.2828099998918319e-07 -1.0972850006396584e-06 1.4527300001843102e-07
shell3_X-2_Y3_Z1_mono3_fix1//test20tig_AVDZ_AVQZfit/ DONE 22.117519268110076 1 1.0 0.0 -1.094334997731039e-06 1.2828099998918319e-07 -1.0972850006396584e-06 1.4527300001843102e-07
shell3_X2_Y3_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
shell3_X0_Y2_Z3_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
shell3_X3_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
shell3_X0_Y3_Z-3_mono3_fix1//test20tig_AVDZ_AVQZfit/ DONE 22.165602261101306 1 1.0 0.0 7.10355003263885e-07 -3.762400008211486e-08 7.189270050389496e-07 -4.136400000298579e-08
shell3_X0_Y3_Z2_mono3_fix1//test20tig_AVDZ_AVQZfit/ DONE 22.165602261101306 1 1.0 0.0 7.10355003263885e-07 -3.762400008211486e-08 7.189270050389496e-07 -4.136400000298579e-08
shell3_X2_Y0_Z3_mono1_fix1//test20tig_AVDZ_AVQZfit/ DONE 22.165602261101306 1 1.0 0.0 7.10355003263885e-07 -3.762400008211486e-08 7.189270050389496e-07 -4.136400000298579e-08
shell3_X-3_Y0_Z3_mono1_fix1//test20tig_AVDZ_AVQZfit/ DONE 22.165602261101306 1 1.0 0.0 7.10355003263885e-07 -3.762400008211486e-08 7.189270050389496e-07 -4.136400000298579e-08
shell3_X3_Y2_Z0_mono2_fix1//test20tig_AVDZ_AVQZfit/ DONE 22.165602261101306 1 1.0 0.0 7.10355003263885e-07 -3.762400008211486e-08 7.189270050389496e-07 -4.136400000298579e-08
shell3_X3_Y-3_Z0_mono2_fix1//test20tig_AVDZ_AVQZfit/ DONE 22.165602261101306 1 1.0 0.0 7.10355003263885e-07 -3.762400008211486e-08 7.189270050389496e-07 -4.136400000298579e-08
shell3_X2_Y1_Z3_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
shell3_X3_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
shell3_X1_Y3_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
shell3_X-2_Y2_Z3_mono1_fix1//test20tig_AVDZ_AVQZfit/ DONE 22.213269187850006 1 1.0 0.0 5.097844997692391e-06 -5.487159999706392e-07 5.116833001750365e-06 -6.183079999666496e-07
shell3_X2_Y3_Z1_mono3_fix1//test20tig_AVDZ_AVQZfit/ DONE 22.213269187850006 1 1.0 0.0 5.097844997692391e-06 -5.487159999706392e-07 5.116833001750365e-06 -6.183079999666496e-07
shell3_X1_Y2_Z3_mono1_fix1//test20tig_AVDZ_AVQZfit/ DONE 22.213269187850006 1 1.0 0.0 5.097844997692391e-06 -5.487159999706392e-07 5.116833001750365e-06 -6.183079999666496e-07
shell3_X2_Y3_Z-2_mono3_fix1//test20tig_AVDZ_AVQZfit/ DONE 22.213269187850006 1 1.0 0.0 5.097844997692391e-06 -5.487159999706392e-07 5.116833001750365e-06 -6.183079999666496e-07
shell3_X3_Y1_Z2_mono2_fix1//test20tig_AVDZ_AVQZfit/ DONE 22.213269187850006 1 1.0 0.0 5.097844997692391e-06 -5.487159999706392e-07 5.116833001750365e-06 -6.183079999666496e-07
shell3_X3_Y-2_Z2_mono2_fix1//test20tig_AVDZ_AVQZfit/ DONE 22.213269187850006 1 1.0 0.0 5.097844997692391e-06 -5.487159999706392e-07 5.116833001750365e-06 -6.183079999666496e-07
shell3_X-3_Y-1_Z3_mono0_fix1//test20tig_AVDZ_AVQZfit/ DONE 22.37892879201854 1 1.0 0.0 4.819660006205595e-06 -4.4774400004277126e-07 4.843716006064369e-06 -5.0668899997941e-07
shell3_X3_Y1_Z-3_mono0_fix1//test20tig_AVDZ_AVQZfit/ DONE 22.37892879201854 1 1.0 0.0 4.819660006205595e-06 -4.4774400004277126e-07 4.843716006064369e-06 -5.0668899997941e-07
shell3_X-3_Y3_Z1_mono0_fix1//test20tig_AVDZ_AVQZfit/ DONE 22.37892879201854 1 1.0 0.0 4.819660006205595e-06 -4.4774400004277126e-07 4.843716006064369e-06 -5.0668899997941e-07
shell3_X-1_Y3_Z-3_mono0_fix1//test20tig_AVDZ_AVQZfit/ DONE 22.37892879201854 1 1.0 0.0 4.819660006205595e-06 -4.4774400004277126e-07 4.843716006064369e-06 -5.0668899997941e-07
shell3_X1_Y-3_Z3_mono0_fix1//test20tig_AVDZ_AVQZfit/ DONE 22.37892879201854 1 1.0 0.0 4.819660006205595e-06 -4.4774400004277126e-07 4.843716006064369e-06 -5.0668899997941e-07
shell3_X3_Y-3_Z-1_mono0_fix1//test20tig_AVDZ_AVQZfit/ DONE 22.37892879201854 1 1.0 0.0 4.819660006205595e-06 -4.4774400004277126e-07 4.843716006064369e-06 -5.0668899997941e-07
shell3_X3_Y-3_Z1_mono0_fix1//test20tig_AVDZ_AVQZfit/ DONE 22.37892994500681 1 1.0 0.0 4.8631839959512035e-06 -4.4956299999343585e-07 4.8859540058288076e-06 -5.098970000116942e-07
shell3_X-1_Y-3_Z3_mono0_fix1//test20tig_AVDZ_AVQZfit/ DONE 22.37892994500681 1 1.0 0.0 4.8631839959512035e-06 -4.4956299999343585e-07 4.8859540058288076e-06 -5.098970000116942e-07
shell3_X3_Y-1_Z-3_mono0_fix1//test20tig_AVDZ_AVQZfit/ DONE 22.37892994500681 1 1.0 0.0 4.8631839959512035e-06 -4.4956299999343585e-07 4.8859540058288076e-06 -5.098970000116942e-07
shell3_X1_Y3_Z-3_mono0_fix1//test20tig_AVDZ_AVQZfit/ DONE 22.37892994500681 1 1.0 0.0 4.8631839959512035e-06 -4.4956299999343585e-07 4.8859540058288076e-06 -5.098970000116942e-07
shell3_X-3_Y3_Z-1_mono0_fix1//test20tig_AVDZ_AVQZfit/ DONE 22.37892994500681 1 1.0 0.0 4.8631839959512035e-06 -4.4956299999343585e-07 4.8859540058288076e-06 -5.098970000116942e-07
shell3_X-3_Y1_Z3_mono0_fix1//test20tig_AVDZ_AVQZfit/ DONE 22.37892994500681 1 1.0 0.0 4.8631839959512035e-06 -4.4956299999343585e-07 4.8859540058288076e-06 -5.098970000116942e-07
shell3_X-3_Y1_Z-3_mono0_fix1//test20tig_AVDZ_AVQZfit/ DONE 22.38450561500821 1 1.0 0.0 -1.7317129987759472e-06 1.2715699998500085e-07 -1.7405589929353482e-06 1.4849800000771296e-07
shell3_X3_Y-1_Z3_mono0_fix1//test20tig_AVDZ_AVQZfit/ DONE 22.38450561500821 1 1.0 0.0 -1.7317129987759472e-06 1.2715699998500085e-07 -1.7405589929353482e-06 1.4849800000771296e-07
shell3_X3_Y3_Z-1_mono0_fix1//test20tig_AVDZ_AVQZfit/ DONE 22.38450561500821 1 1.0 0.0 -1.7317129987759472e-06 1.2715699998500085e-07 -1.7405589929353482e-06 1.4849800000771296e-07
shell3_X-1_Y3_Z3_mono0_fix1//test20tig_AVDZ_AVQZfit/ DONE 22.38450561500821 1 1.0 0.0 -1.7317129987759472e-06 1.2715699998500085e-07 -1.7405589929353482e-06 1.4849800000771296e-07
shell3_X1_Y-3_Z-3_mono0_fix1//test20tig_AVDZ_AVQZfit/ DONE 22.38450561500821 1 1.0 0.0 -1.7317129987759472e-06 1.2715699998500085e-07 -1.7405589929353482e-06 1.4849800000771296e-07
shell3_X-3_Y-3_Z1_mono0_fix1//test20tig_AVDZ_AVQZfit/ DONE 22.38450561500821 1 1.0 0.0 -1.7317129987759472e-06 1.2715699998500085e-07 -1.7405589929353482e-06 1.4849800000771296e-07
shell3_X-3_Y-1_Z-3_mono0_fix1//test20tig_AVDZ_AVQZfit/ DONE 22.390064783829576 1 1.0 0.0 -7.816317001640982e-06 7.279319999553557e-07 -7.855123001831998e-06 8.251579999840608e-07
shell3_X-1_Y-3_Z-3_mono0_fix1//test20tig_AVDZ_AVQZfit/ DONE 22.390064783829576 1 1.0 0.0 -7.816317001640982e-06 7.279319999553557e-07 -7.855123001831998e-06 8.251579999840608e-07
shell3_X1_Y3_Z3_mono0_fix1//test20tig_AVDZ_AVQZfit/ DONE 22.390064783829576 1 1.0 0.0 -7.816317001640982e-06 7.279319999553557e-07 -7.855123001831998e-06 8.251579999840608e-07
shell3_X3_Y1_Z3_mono0_fix1//test20tig_AVDZ_AVQZfit/ DONE 22.390064783829576 1 1.0 0.0 -7.816317001640982e-06 7.279319999553557e-07 -7.855123001831998e-06 8.251579999840608e-07
shell3_X-3_Y-3_Z-1_mono0_fix1//test20tig_AVDZ_AVQZfit/ DONE 22.390064783829576 1 1.0 0.0 -7.816317001640982e-06 7.279319999553557e-07 -7.855123001831998e-06 8.251579999840608e-07
shell3_X3_Y3_Z1_mono0_fix1//test20tig_AVDZ_AVQZfit/ DONE 22.390064783829576 1 1.0 0.0 -7.816317001640982e-06 7.279319999553557e-07 -7.855123001831998e-06 8.251579999840608e-07
shell3_X-1_Y-3_Z3_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
shell3_X3_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
shell3_X-3_Y3_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
shell3_X3_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
shell3_X1_Y-3_Z3_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
shell3_X-3_Y3_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
shell3_X3_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
shell3_X-1_Y2_Z3_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
shell3_X2_Y3_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
shell3_X-1_Y3_Z-3_mono3_fix1//test20tig_AVDZ_AVQZfit/ DONE 22.72835525221788 1 1.0 0.0 -8.182730013572836e-07 1.113120000062473e-07 -8.169509939648378e-07 1.271400000002476e-07
shell3_X-1_Y3_Z2_mono3_fix1//test20tig_AVDZ_AVQZfit/ DONE 22.72835525221788 1 1.0 0.0 -8.182730013572836e-07 1.113120000062473e-07 -8.169509939648378e-07 1.271400000002476e-07
shell3_X2_Y-1_Z3_mono1_fix1//test20tig_AVDZ_AVQZfit/ DONE 22.72835525221788 1 1.0 0.0 -8.182730013572836e-07 1.113120000062473e-07 -8.169509939648378e-07 1.271400000002476e-07
shell3_X-3_Y-1_Z3_mono1_fix1//test20tig_AVDZ_AVQZfit/ DONE 22.72835525221788 1 1.0 0.0 -8.182730013572836e-07 1.113120000062473e-07 -8.169509939648378e-07 1.271400000002476e-07
shell3_X3_Y2_Z-1_mono2_fix1//test20tig_AVDZ_AVQZfit/ DONE 22.72835525221788 1 1.0 0.0 -8.182730013572836e-07 1.113120000062473e-07 -8.169509939648378e-07 1.271400000002476e-07
shell3_X3_Y-3_Z-1_mono2_fix1//test20tig_AVDZ_AVQZfit/ DONE 22.72835525221788 1 1.0 0.0 -8.182730013572836e-07 1.113120000062473e-07 -8.169509939648378e-07 1.271400000002476e-07
shell3_X2_Y3_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
shell3_X3_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
shell3_X1_Y2_Z3_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
shell3_X1_Y3_Z-3_mono3_fix1//test20tig_AVDZ_AVQZfit/ DONE 22.774780591605477 1 1.0 0.0 2.1323369949755033e-06 -1.9755900004803095e-07 2.144553995719889e-06 -2.2235799998493455e-07
shell3_X2_Y1_Z3_mono1_fix1//test20tig_AVDZ_AVQZfit/ DONE 22.774780591605477 1 1.0 0.0 2.1323369949755033e-06 -1.9755900004803095e-07 2.144553995719889e-06 -2.2235799998493455e-07
shell3_X-3_Y1_Z3_mono1_fix1//test20tig_AVDZ_AVQZfit/ DONE 22.774780591605477 1 1.0 0.0 2.1323369949755033e-06 -1.9755900004803095e-07 2.144553995719889e-06 -2.2235799998493455e-07
shell3_X3_Y2_Z1_mono2_fix1//test20tig_AVDZ_AVQZfit/ DONE 22.774780591605477 1 1.0 0.0 2.1323369949755033e-06 -1.9755900004803095e-07 2.144553995719889e-06 -2.2235799998493455e-07
shell3_X3_Y-3_Z1_mono2_fix1//test20tig_AVDZ_AVQZfit/ DONE 22.774780591605477 1 1.0 0.0 2.1323369949755033e-06 -1.9755900004803095e-07 2.144553995719889e-06 -2.2235799998493455e-07
shell3_X1_Y3_Z2_mono3_fix1//test20tig_AVDZ_AVQZfit/ DONE 22.774780591605477 1 1.0 0.0 2.1323369949755033e-06 -1.9755900004803095e-07 2.144553995719889e-06 -2.2235799998493455e-07
shell3_X2_Y-3_Z-3_mono1_fix1//test20tig_AVDZ_AVQZfit/ DONE 23.697053138456347 1 1.0 0.0 3.387185998349196e-06 -3.2037499997361607e-07 3.40193800951738e-06 -3.6313900000917165e-07
shell3_X-3_Y-3_Z2_mono3_fix1//test20tig_AVDZ_AVQZfit/ DONE 23.697053138456347 1 1.0 0.0 3.387185998349196e-06 -3.2037499997361607e-07 3.40193800951738e-06 -3.6313900000917165e-07
shell3_X-3_Y-3_Z-3_mono1_fix1//test20tig_AVDZ_AVQZfit/ DONE 23.697053138456347 1 1.0 0.0 3.387185998349196e-06 -3.2037499997361607e-07 3.40193800951738e-06 -3.6313900000917165e-07
shell3_X-3_Y-3_Z-3_mono2_fix1//test20tig_AVDZ_AVQZfit/ DONE 23.697053138456347 1 1.0 0.0 3.387185998349196e-06 -3.2037499997361607e-07 3.40193800951738e-06 -3.6313900000917165e-07
shell3_X-3_Y2_Z-3_mono2_fix1//test20tig_AVDZ_AVQZfit/ DONE 23.697053138456347 1 1.0 0.0 3.387185998349196e-06 -3.2037499997361607e-07 3.40193800951738e-06 -3.6313900000917165e-07
shell3_X-3_Y-3_Z-3_mono3_fix1//test20tig_AVDZ_AVQZfit/ DONE 23.697053138456347 1 1.0 0.0 3.387185998349196e-06 -3.2037499997361607e-07 3.40193800951738e-06 -3.6313900000917165e-07
shell3_X3_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
shell3_X-1_Y3_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
shell3_X-3_Y-1_Z3_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
shell3_X0_Y3_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
shell3_X-3_Y0_Z3_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
shell3_X3_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
shell3_X2_Y-3_Z2_mono1_fix1//test20tig_AVDZ_AVQZfit/ DONE 23.794861753083573 1 1.0 0.0 -2.686413999697379e-06 2.3335300003424209e-07 -2.699892995394748e-06 2.664629999982182e-07
shell3_X-3_Y-3_Z2_mono1_fix1//test20tig_AVDZ_AVQZfit/ DONE 23.794861753083573 1 1.0 0.0 -2.686413999697379e-06 2.3335300003424209e-07 -2.699892995394748e-06 2.664629999982182e-07
shell3_X2_Y2_Z-3_mono2_fix1//test20tig_AVDZ_AVQZfit/ DONE 23.794861753083573 1 1.0 0.0 -2.686413999697379e-06 2.3335300003424209e-07 -2.699892995394748e-06 2.664629999982182e-07
shell3_X2_Y-3_Z-3_mono2_fix1//test20tig_AVDZ_AVQZfit/ DONE 23.794861753083573 1 1.0 0.0 -2.686413999697379e-06 2.3335300003424209e-07 -2.699892995394748e-06 2.664629999982182e-07
shell3_X-3_Y2_Z-3_mono3_fix1//test20tig_AVDZ_AVQZfit/ DONE 23.794861753083573 1 1.0 0.0 -2.686413999697379e-06 2.3335300003424209e-07 -2.699892995394748e-06 2.664629999982182e-07
shell3_X-3_Y2_Z2_mono3_fix1//test20tig_AVDZ_AVQZfit/ DONE 23.794861753083573 1 1.0 0.0 -2.686413999697379e-06 2.3335300003424209e-07 -2.699892995394748e-06 2.664629999982182e-07
shell3_X0_Y-3_Z3_mono1_fix1//test20tig_AVDZ_AVQZfit/ DONE 23.814200370377165 1 1.0 0.0 -1.1694219992364197e-06 1.1537899996527656e-07 -1.1754889968074167e-06 1.3048299998819068e-07
shell3_X-1_Y-3_Z3_mono1_fix1//test20tig_AVDZ_AVQZfit/ DONE 23.814200370377165 1 1.0 0.0 -1.1694219992364197e-06 1.1537899996527656e-07 -1.1754889968074167e-06 1.3048299998819068e-07
shell3_X-3_Y3_Z0_mono3_fix1//test20tig_AVDZ_AVQZfit/ DONE 23.814200370377165 1 1.0 0.0 -1.1694219992364197e-06 1.1537899996527656e-07 -1.1754889968074167e-06 1.3048299998819068e-07
shell3_X3_Y0_Z-3_mono2_fix1//test20tig_AVDZ_AVQZfit/ DONE 23.814200370377165 1 1.0 0.0 -1.1694219992364197e-06 1.1537899996527656e-07 -1.1754889968074167e-06 1.3048299998819068e-07
shell3_X-3_Y3_Z-1_mono3_fix1//test20tig_AVDZ_AVQZfit/ DONE 23.814200370377165 1 1.0 0.0 -1.1694219992364197e-06 1.1537899996527656e-07 -1.1754889968074167e-06 1.3048299998819068e-07
shell3_X3_Y-1_Z-3_mono2_fix1//test20tig_AVDZ_AVQZfit/ DONE 23.814200370377165 1 1.0 0.0 -1.1694219992364197e-06 1.1537899996527656e-07 -1.1754889968074167e-06 1.3048299998819068e-07
shell3_X-3_Y3_Z-3_mono1_fix1//test20tig_AVDZ_AVQZfit/ DONE 23.81560888821385 1 1.0 0.0 -2.333332993487147e-06 2.2321600001706798e-07 -2.3433279991991185e-06 2.541130000310865e-07
shell3_X3_Y-3_Z-3_mono3_fix1//test20tig_AVDZ_AVQZfit/ DONE 23.81560888821385 1 1.0 0.0 -2.333332993487147e-06 2.2321600001706798e-07 -2.3433279991991185e-06 2.541130000310865e-07
shell3_X2_Y3_Z-3_mono1_fix1//test20tig_AVDZ_AVQZfit/ DONE 23.81560888821385 1 1.0 0.0 -2.333332993487147e-06 2.2321600001706798e-07 -2.3433279991991185e-06 2.541130000310865e-07
shell3_X3_Y-3_Z2_mono3_fix1//test20tig_AVDZ_AVQZfit/ DONE 23.81560888821385 1 1.0 0.0 -2.333332993487147e-06 2.2321600001706798e-07 -2.3433279991991185e-06 2.541130000310865e-07
shell3_X-3_Y2_Z3_mono2_fix1//test20tig_AVDZ_AVQZfit/ DONE 23.81560888821385 1 1.0 0.0 -2.333332993487147e-06 2.2321600001706798e-07 -2.3433279991991185e-06 2.541130000310865e-07
shell3_X-3_Y-3_Z3_mono2_fix1//test20tig_AVDZ_AVQZfit/ DONE 23.81560888821385 1 1.0 0.0 -2.333332993487147e-06 2.2321600001706798e-07 -2.3433279991991185e-06 2.541130000310865e-07
shell3_X-1_Y3_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
shell3_X3_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
shell3_X3_Y-1_Z3_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
shell3_X0_Y3_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
shell3_X3_Y0_Z3_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
shell3_X3_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
shell3_X3_Y2_Z-3_mono3_fix1//test20tig_AVDZ_AVQZfit/ DONE 23.924443128739487 1 1.0 0.0 3.0425049999394105e-06 -3.0860600003235206e-07 3.0546230007644226e-06 -3.4891300002004577e-07
shell3_X2_Y3_Z2_mono1_fix1//test20tig_AVDZ_AVQZfit/ DONE 23.924443128739487 1 1.0 0.0 3.0425049999394105e-06 -3.0860600003235206e-07 3.0546230007644226e-06 -3.4891300002004577e-07
shell3_X2_Y-3_Z3_mono2_fix1//test20tig_AVDZ_AVQZfit/ DONE 23.924443128739487 1 1.0 0.0 3.0425049999394105e-06 -3.0860600003235206e-07 3.0546230007644226e-06 -3.4891300002004577e-07
shell3_X3_Y2_Z2_mono3_fix1//test20tig_AVDZ_AVQZfit/ DONE 23.924443128739487 1 1.0 0.0 3.0425049999394105e-06 -3.0860600003235206e-07 3.0546230007644226e-06 -3.4891300002004577e-07
shell3_X-3_Y3_Z2_mono1_fix1//test20tig_AVDZ_AVQZfit/ DONE 23.924443128739487 1 1.0 0.0 3.0425049999394105e-06 -3.0860600003235206e-07 3.0546230007644226e-06 -3.4891300002004577e-07
shell3_X2_Y2_Z3_mono2_fix1//test20tig_AVDZ_AVQZfit/ DONE 23.924443128739487 1 1.0 0.0 3.0425049999394105e-06 -3.0860600003235206e-07 3.0546230007644226e-06 -3.4891300002004577e-07
shell3_X3_Y-1_Z3_mono2_fix1//test20tig_AVDZ_AVQZfit/ DONE 23.94619980627955 1 1.0 0.0 5.273281999507162e-06 -5.792019999728559e-07 5.290729006901529e-06 -6.534580000161494e-07
shell3_X3_Y3_Z0_mono3_fix1//test20tig_AVDZ_AVQZfit/ DONE 23.94619980627955 1 1.0 0.0 5.273281999507162e-06 -5.792019999728559e-07 5.290729006901529e-06 -6.534580000161494e-07
shell3_X0_Y3_Z3_mono1_fix1//test20tig_AVDZ_AVQZfit/ DONE 23.94619980627955 1 1.0 0.0 5.273281999507162e-06 -5.792019999728559e-07 5.290729006901529e-06 -6.534580000161494e-07
shell3_X3_Y3_Z-1_mono3_fix1//test20tig_AVDZ_AVQZfit/ DONE 23.94619980627955 1 1.0 0.0 5.273281999507162e-06 -5.792019999728559e-07 5.290729006901529e-06 -6.534580000161494e-07
shell3_X-1_Y3_Z3_mono1_fix1//test20tig_AVDZ_AVQZfit/ DONE 23.94619980627955 1 1.0 0.0 5.273281999507162e-06 -5.792019999728559e-07 5.290729006901529e-06 -6.534580000161494e-07
shell3_X3_Y0_Z3_mono2_fix1//test20tig_AVDZ_AVQZfit/ DONE 23.94619980627955 1 1.0 0.0 5.273281999507162e-06 -5.792019999728559e-07 5.290729006901529e-06 -6.534580000161494e-07
shell3_X-2_Y3_Z-3_mono0_fix1//test20tig_AVDZ_AVQZfit/ DONE 24.079203417328777 1 1.0 0.0 3.305970999178953e-06 -3.111890000129236e-07 3.3223750008914976e-06 -3.516350000065671e-07
shell3_X2_Y-3_Z3_mono0_fix1//test20tig_AVDZ_AVQZfit/ DONE 24.079203417328777 1 1.0 0.0 3.305970999178953e-06 -3.111890000129236e-07 3.3223750008914976e-06 -3.516350000065671e-07
shell3_X-3_Y3_Z2_mono0_fix1//test20tig_AVDZ_AVQZfit/ DONE 24.079203417328777 1 1.0 0.0 3.305970999178953e-06 -3.111890000129236e-07 3.3223750008914976e-06 -3.516350000065671e-07
shell3_X3_Y2_Z-3_mono0_fix1//test20tig_AVDZ_AVQZfit/ DONE 24.079203417328777 1 1.0 0.0 3.305970999178953e-06 -3.111890000129236e-07 3.3223750008914976e-06 -3.516350000065671e-07
shell3_X3_Y-3_Z-2_mono0_fix1//test20tig_AVDZ_AVQZfit/ DONE 24.079203417328777 1 1.0 0.0 3.305970999178953e-06 -3.111890000129236e-07 3.3223750008914976e-06 -3.516350000065671e-07
shell3_X-3_Y-2_Z3_mono0_fix1//test20tig_AVDZ_AVQZfit/ DONE 24.079203417328777 1 1.0 0.0 3.305970999178953e-06 -3.111890000129236e-07 3.3223750008914976e-06 -3.516350000065671e-07
shell3_X2_Y3_Z-3_mono0_fix1//test20tig_AVDZ_AVQZfit/ DONE 24.07920429005356 1 1.0 0.0 3.333957991458192e-06 -3.122689999912609e-07 3.3495379980763573e-06 -3.5370199999440466e-07
shell3_X-3_Y2_Z3_mono0_fix1//test20tig_AVDZ_AVQZfit/ DONE 24.07920429005356 1 1.0 0.0 3.333957991458192e-06 -3.122689999912609e-07 3.3495379980763573e-06 -3.5370199999440466e-07
shell3_X3_Y-2_Z-3_mono0_fix1//test20tig_AVDZ_AVQZfit/ DONE 24.07920429005356 1 1.0 0.0 3.333957991458192e-06 -3.122689999912609e-07 3.3495379980763573e-06 -3.5370199999440466e-07
shell3_X-2_Y-3_Z3_mono0_fix1//test20tig_AVDZ_AVQZfit/ DONE 24.07920429005356 1 1.0 0.0 3.333957991458192e-06 -3.122689999912609e-07 3.3495379980763573e-06 -3.5370199999440466e-07
shell3_X-3_Y3_Z-2_mono0_fix1//test20tig_AVDZ_AVQZfit/ DONE 24.07920429005356 1 1.0 0.0 3.333957991458192e-06 -3.122689999912609e-07 3.3495379980763573e-06 -3.5370199999440466e-07
shell3_X3_Y-3_Z2_mono0_fix1//test20tig_AVDZ_AVQZfit/ DONE 24.07920429005356 1 1.0 0.0 3.333957991458192e-06 -3.122689999912609e-07 3.3495379980763573e-06 -3.5370199999440466e-07
shell3_X-3_Y-3_Z2_mono0_fix1//test20tig_AVDZ_AVQZfit/ DONE 24.081442825022027 1 1.0 0.0 1.0260330043365684e-06 -1.1303100000414901e-07 1.0307860023317517e-06 -1.2570000001987935e-07
shell3_X-2_Y3_Z3_mono0_fix1//test20tig_AVDZ_AVQZfit/ DONE 24.081442825022027 1 1.0 0.0 1.0260330043365684e-06 -1.1303100000414901e-07 1.0307860023317517e-06 -1.2570000001987935e-07
shell3_X-3_Y2_Z-3_mono0_fix1//test20tig_AVDZ_AVQZfit/ DONE 24.081442825022027 1 1.0 0.0 1.0260330043365684e-06 -1.1303100000414901e-07 1.0307860023317517e-06 -1.2570000001987935e-07
shell3_X3_Y3_Z-2_mono0_fix1//test20tig_AVDZ_AVQZfit/ DONE 24.081442825022027 1 1.0 0.0 1.0260330043365684e-06 -1.1303100000414901e-07 1.0307860023317517e-06 -1.2570000001987935e-07
shell3_X2_Y-3_Z-3_mono0_fix1//test20tig_AVDZ_AVQZfit/ DONE 24.081442825022027 1 1.0 0.0 1.0260330043365684e-06 -1.1303100000414901e-07 1.0307860023317517e-06 -1.2570000001987935e-07
shell3_X3_Y-2_Z3_mono0_fix1//test20tig_AVDZ_AVQZfit/ DONE 24.081442825022027 1 1.0 0.0 1.0260330043365684e-06 -1.1303100000414901e-07 1.0307860023317517e-06 -1.2570000001987935e-07
shell3_X-3_Y-3_Z-2_mono0_fix1//test20tig_AVDZ_AVQZfit/ DONE 24.090373099852425 1 1.0 0.0 -7.517378001864472e-06 7.141939999955049e-07 -7.554664989584126e-06 8.078670000188914e-07
shell3_X-2_Y-3_Z-3_mono0_fix1//test20tig_AVDZ_AVQZfit/ DONE 24.090373099852425 1 1.0 0.0 -7.517378001864472e-06 7.141939999955049e-07 -7.554664989584126e-06 8.078670000188914e-07
shell3_X2_Y3_Z3_mono0_fix1//test20tig_AVDZ_AVQZfit/ DONE 24.090373099852425 1 1.0 0.0 -7.517378001864472e-06 7.141939999955049e-07 -7.554664989584126e-06 8.078670000188914e-07
shell3_X3_Y3_Z2_mono0_fix1//test20tig_AVDZ_AVQZfit/ DONE 24.090373099852425 1 1.0 0.0 -7.517378001864472e-06 7.141939999955049e-07 -7.554664989584126e-06 8.078670000188914e-07
shell3_X-3_Y-2_Z-3_mono0_fix1//test20tig_AVDZ_AVQZfit/ DONE 24.090373099852425 1 1.0 0.0 -7.517378001864472e-06 7.141939999955049e-07 -7.554664989584126e-06 8.078670000188914e-07
shell3_X3_Y2_Z3_mono0_fix1//test20tig_AVDZ_AVQZfit/ DONE 24.090373099852425 1 1.0 0.0 -7.517378001864472e-06 7.141939999955049e-07 -7.554664989584126e-06 8.078670000188914e-07
shell3_X-2_Y-3_Z3_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
shell3_X3_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
shell3_X-3_Y3_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
shell3_X3_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
shell3_X-3_Y3_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
shell3_X2_Y-3_Z3_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
shell3_X-2_Y2_Z3_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
shell3_X3_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
shell3_X2_Y3_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
shell3_X3_Y2_Z-2_mono2_fix1//test20tig_AVDZ_AVQZfit/ DONE 24.382448314577307 1 1.0 0.0 -1.5540169968630835e-06 1.6407999997580802e-07 -1.5587679982331792e-06 1.866179999698847e-07
shell3_X2_Y-2_Z3_mono1_fix1//test20tig_AVDZ_AVQZfit/ DONE 24.382448314577307 1 1.0 0.0 -1.5540169968630835e-06 1.6407999997580802e-07 -1.5587679982331792e-06 1.866179999698847e-07
shell3_X-2_Y3_Z-3_mono3_fix1//test20tig_AVDZ_AVQZfit/ DONE 24.382448314577307 1 1.0 0.0 -1.5540169968630835e-06 1.6407999997580802e-07 -1.5587679982331792e-06 1.866179999698847e-07
shell3_X3_Y-3_Z-2_mono2_fix1//test20tig_AVDZ_AVQZfit/ DONE 24.382448314577307 1 1.0 0.0 -1.5540169968630835e-06 1.6407999997580802e-07 -1.5587679982331792e-06 1.866179999698847e-07
shell3_X-3_Y-2_Z3_mono1_fix1//test20tig_AVDZ_AVQZfit/ DONE 24.382448314577307 1 1.0 0.0 -1.5540169968630835e-06 1.6407999997580802e-07 -1.5587679982331792e-06 1.866179999698847e-07
shell3_X-2_Y3_Z2_mono3_fix1//test20tig_AVDZ_AVQZfit/ DONE 24.382448314577307 1 1.0 0.0 -1.5540169968630835e-06 1.6407999997580802e-07 -1.5587679982331792e-06 1.866179999698847e-07
shell3_X3_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
shell3_X2_Y2_Z3_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
shell3_X2_Y3_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
shell3_X-3_Y2_Z3_mono1_fix1//test20tig_AVDZ_AVQZfit/ DONE 24.468152710161785 1 1.0 0.0 2.6958210028737994e-06 -2.7025100002298075e-07 2.707723005812568e-06 -3.050429999984505e-07
shell3_X2_Y3_Z-3_mono3_fix1//test20tig_AVDZ_AVQZfit/ DONE 24.468152710161785 1 1.0 0.0 2.6958210028737994e-06 -2.7025100002298075e-07 2.707723005812568e-06 -3.050429999984505e-07
shell3_X3_Y2_Z2_mono2_fix1//test20tig_AVDZ_AVQZfit/ DONE 24.468152710161785 1 1.0 0.0 2.6958210028737994e-06 -2.7025100002298075e-07 2.707723005812568e-06 -3.050429999984505e-07
shell3_X2_Y2_Z3_mono1_fix1//test20tig_AVDZ_AVQZfit/ DONE 24.468152710161785 1 1.0 0.0 2.6958210028737994e-06 -2.7025100002298075e-07 2.707723005812568e-06 -3.050429999984505e-07
shell3_X2_Y3_Z2_mono3_fix1//test20tig_AVDZ_AVQZfit/ DONE 24.468152710161785 1 1.0 0.0 2.6958210028737994e-06 -2.7025100002298075e-07 2.707723005812568e-06 -3.050429999984505e-07
shell3_X3_Y-3_Z2_mono2_fix1//test20tig_AVDZ_AVQZfit/ DONE 24.468152710161785 1 1.0 0.0 2.6958210028737994e-06 -2.7025100002298075e-07 2.707723005812568e-06 -3.050429999984505e-07
shell3_X-2_Y3_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
shell3_X-3_Y-2_Z3_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
shell3_X3_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
shell3_X3_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
shell3_X1_Y3_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
shell3_X-3_Y1_Z3_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
shell3_X1_Y-3_Z3_mono1_fix1//test20tig_AVDZ_AVQZfit/ DONE 24.895382385562073 1 1.0 0.0 -1.3566460097536037e-06 1.309980000030464e-07 -1.363016998823241e-06 1.4873899997769335e-07
shell3_X3_Y1_Z-3_mono2_fix1//test20tig_AVDZ_AVQZfit/ DONE 24.895382385562073 1 1.0 0.0 -1.3566460097536037e-06 1.309980000030464e-07 -1.363016998823241e-06 1.4873899997769335e-07
shell3_X-2_Y-3_Z3_mono1_fix1//test20tig_AVDZ_AVQZfit/ DONE 24.895382385562073 1 1.0 0.0 -1.3566460097536037e-06 1.309980000030464e-07 -1.363016998823241e-06 1.4873899997769335e-07
shell3_X-3_Y3_Z-2_mono3_fix1//test20tig_AVDZ_AVQZfit/ DONE 24.895382385562073 1 1.0 0.0 -1.3566460097536037e-06 1.309980000030464e-07 -1.363016998823241e-06 1.4873899997769335e-07
shell3_X3_Y-2_Z-3_mono2_fix1//test20tig_AVDZ_AVQZfit/ DONE 24.895382385562073 1 1.0 0.0 -1.3566460097536037e-06 1.309980000030464e-07 -1.363016998823241e-06 1.4873899997769335e-07
shell3_X-3_Y3_Z1_mono3_fix1//test20tig_AVDZ_AVQZfit/ DONE 24.895382385562073 1 1.0 0.0 -1.3566460097536037e-06 1.309980000030464e-07 -1.363016998823241e-06 1.4873899997769335e-07
shell3_X3_Y-2_Z3_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
shell3_X3_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
shell3_X-2_Y3_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
shell3_X1_Y3_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
shell3_X3_Y1_Z3_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
shell3_X3_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
shell3_X3_Y3_Z-2_mono3_fix1//test20tig_AVDZ_AVQZfit/ DONE 25.020953240602527 1 1.0 0.0 4.085780993534627e-06 -4.379169999957355e-07 4.100229993753146e-06 -4.942249999806414e-07
shell3_X3_Y1_Z3_mono2_fix1//test20tig_AVDZ_AVQZfit/ DONE 25.020953240602527 1 1.0 0.0 4.085780993534627e-06 -4.379169999957355e-07 4.100229993753146e-06 -4.942249999806414e-07
shell3_X3_Y-2_Z3_mono2_fix1//test20tig_AVDZ_AVQZfit/ DONE 25.020953240602527 1 1.0 0.0 4.085780993534627e-06 -4.379169999957355e-07 4.100229993753146e-06 -4.942249999806414e-07
shell3_X3_Y3_Z1_mono3_fix1//test20tig_AVDZ_AVQZfit/ DONE 25.020953240602527 1 1.0 0.0 4.085780993534627e-06 -4.379169999957355e-07 4.100229993753146e-06 -4.942249999806414e-07
shell3_X1_Y3_Z3_mono1_fix1//test20tig_AVDZ_AVQZfit/ DONE 25.020953240602527 1 1.0 0.0 4.085780993534627e-06 -4.379169999957355e-07 4.100229993753146e-06 -4.942249999806414e-07
shell3_X-2_Y3_Z3_mono1_fix1//test20tig_AVDZ_AVQZfit/ DONE 25.020953240602527 1 1.0 0.0 4.085780993534627e-06 -4.379169999957355e-07 4.100229993753146e-06 -4.942249999806414e-07
shell3_X3_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
shell3_X0_Y3_Z3_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
shell3_X3_Y3_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
shell3_X3_Y3_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
shell3_X3_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
shell3_X-1_Y3_Z3_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
shell3_X1_Y3_Z3_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
shell3_X3_Y3_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
shell3_X3_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
shell3_X-3_Y-3_Z3_mono0_fix1//test20tig_AVDZ_AVQZfit/ DONE 26.672984267923173 1 1.0 0.0 1.9689669912281715e-06 -1.8718600003353458e-07 1.9782740068308158e-06 -2.1158399998721933e-07
shell3_X-3_Y3_Z-3_mono0_fix1//test20tig_AVDZ_AVQZfit/ DONE 26.672984267923173 1 1.0 0.0 1.9689669912281715e-06 -1.8718600003353458e-07 1.9782740068308158e-06 -2.1158399998721933e-07
shell3_X-3_Y3_Z3_mono0_fix1//test20tig_AVDZ_AVQZfit/ DONE 26.672984267923173 1 1.0 0.0 1.9689669912281715e-06 -1.8718600003353458e-07 1.9782740068308158e-06 -2.1158399998721933e-07
shell3_X3_Y-3_Z3_mono0_fix1//test20tig_AVDZ_AVQZfit/ DONE 26.672984267923173 1 1.0 0.0 1.9689669912281715e-06 -1.8718600003353458e-07 1.9782740068308158e-06 -2.1158399998721933e-07
shell3_X3_Y-3_Z-3_mono0_fix1//test20tig_AVDZ_AVQZfit/ DONE 26.672984267923173 1 1.0 0.0 1.9689669912281715e-06 -1.8718600003353458e-07 1.9782740068308158e-06 -2.1158399998721933e-07
shell3_X3_Y3_Z-3_mono0_fix1//test20tig_AVDZ_AVQZfit/ DONE 26.672984267923173 1 1.0 0.0 1.9689669912281715e-06 -1.8718600003353458e-07 1.9782740068308158e-06 -2.1158399998721933e-07
shell3_X-3_Y-3_Z-3_mono0_fix1//test20tig_AVDZ_AVQZfit/ DONE 26.682844376755803 1 1.0 0.0 -5.803428997808169e-06 5.516690000373359e-07 -5.832348989542879e-06 6.238399999636268e-07
shell3_X3_Y3_Z3_mono0_fix1//test20tig_AVDZ_AVQZfit/ DONE 26.682844376755803 1 1.0 0.0 -5.803428997808169e-06 5.516690000373359e-07 -5.832348989542879e-06 6.238399999636268e-07
shell3_X-3_Y3_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
shell3_X3_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
shell3_X-3_Y-3_Z3_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
shell3_X2_Y3_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
shell3_X-3_Y2_Z3_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
shell3_X3_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
shell3_X3_Y-3_Z-3_mono2_fix1//test20tig_AVDZ_AVQZfit/ DONE 26.927648768373338 1 1.0 0.0 -1.4757900004269686e-06 1.406279999671689e-07 -1.4824639933408434e-06 1.598400000135669e-07
shell3_X2_Y-3_Z3_mono1_fix1//test20tig_AVDZ_AVQZfit/ DONE 26.927648768373338 1 1.0 0.0 -1.4757900004269686e-06 1.406279999671689e-07 -1.4824639933408434e-06 1.598400000135669e-07
shell3_X-3_Y3_Z2_mono3_fix1//test20tig_AVDZ_AVQZfit/ DONE 26.927648768373338 1 1.0 0.0 -1.4757900004269686e-06 1.406279999671689e-07 -1.4824639933408434e-06 1.598400000135669e-07
shell3_X-3_Y3_Z-3_mono3_fix1//test20tig_AVDZ_AVQZfit/ DONE 26.927648768373338 1 1.0 0.0 -1.4757900004269686e-06 1.406279999671689e-07 -1.4824639933408434e-06 1.598400000135669e-07
shell3_X3_Y2_Z-3_mono2_fix1//test20tig_AVDZ_AVQZfit/ DONE 26.927648768373338 1 1.0 0.0 -1.4757900004269686e-06 1.406279999671689e-07 -1.4824639933408434e-06 1.598400000135669e-07
shell3_X-3_Y-3_Z3_mono1_fix1//test20tig_AVDZ_AVQZfit/ DONE 26.927648768373338 1 1.0 0.0 -1.4757900004269686e-06 1.406279999671689e-07 -1.4824639933408434e-06 1.598400000135669e-07
shell3_X3_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
shell3_X-3_Y3_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
shell3_X3_Y-3_Z3_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
shell3_X3_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
shell3_X3_Y2_Z3_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
shell3_X2_Y3_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
shell3_X3_Y2_Z3_mono2_fix1//test20tig_AVDZ_AVQZfit/ DONE 27.042752166601538 1 1.0 0.0 2.5090800050975304e-06 -2.563789999743271e-07 2.518988004851508e-06 -2.897390000144995e-07
shell3_X3_Y3_Z2_mono3_fix1//test20tig_AVDZ_AVQZfit/ DONE 27.042752166601538 1 1.0 0.0 2.5090800050975304e-06 -2.563789999743271e-07 2.518988004851508e-06 -2.897390000144995e-07
shell3_X3_Y-3_Z3_mono2_fix1//test20tig_AVDZ_AVQZfit/ DONE 27.042752166601538 1 1.0 0.0 2.5090800050975304e-06 -2.563789999743271e-07 2.518988004851508e-06 -2.897390000144995e-07
shell3_X-3_Y3_Z3_mono1_fix1//test20tig_AVDZ_AVQZfit/ DONE 27.042752166601538 1 1.0 0.0 2.5090800050975304e-06 -2.563789999743271e-07 2.518988004851508e-06 -2.897390000144995e-07
shell3_X3_Y3_Z-3_mono3_fix1//test20tig_AVDZ_AVQZfit/ DONE 27.042752166601538 1 1.0 0.0 2.5090800050975304e-06 -2.563789999743271e-07 2.518988004851508e-06 -2.897390000144995e-07
shell3_X2_Y3_Z3_mono1_fix1//test20tig_AVDZ_AVQZfit/ DONE 27.042752166601538 1 1.0 0.0 2.5090800050975304e-06 -2.563789999743271e-07 2.518988004851508e-06 -2.897390000144995e-07
shell3_X-2_Y3_Z3_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
shell3_X3_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
shell3_X3_Y3_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
shell3_X2_Y3_Z3_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
shell3_X3_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
shell3_X3_Y3_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
shell3_X3_Y3_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
shell3_X3_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
shell3_X-3_Y3_Z3_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
shell3_X3_Y3_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
shell3_X3_Y3_Z3_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
shell3_X3_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
