# Fileset [phonopy_params.yaml.xz](https://mdr.nims.go.jp/filesets/7eacdb7b-1200-4160-ab91-eca7b89d873f/download) ## Creator [Atsushi Togo](https://orcid.org/0000-0001-8393-9766) ## Rights Creative Commons Attribution 4.0 International[Creative Commons BY Attribution 4.0 International](https://creativecommons.org/licenses/by/4.0/) ## Other metadata [Ab-initio phonon calculation for Sm2Zr2O7 / P2_1 (4) / materials id 772758](https://mdr.nims.go.jp/datasets/9d555adf-75af-42f0-be55-f56880351596) ## Fulltext phonopy: version: 2.17.1 frequency_unit_conversion_factor: 15.633302 symmetry_tolerance: 1.00000e-05 configuration: save_params: ".true."physical_unit: atomic_mass: "AMU" length: "angstrom" force_constants: "eV/angstrom^2"space_group: type: "P2_1" number: 4 Hall_symbol: "P 2yb"supercell_matrix:- [ 1, 0, 0 ]- [ 0, 2, 0 ]- [ 0, 0, 1 ]primitive_cell: lattice: - [ 7.854464530000000, 0.000000000000000, 0.000224280000000 ] # a - [ 0.000000000000000, 5.562280850000000, 0.000000000000000 ] # b - [ -2.010584590000000, 0.000000000000000, 13.527655210000001 ] # c points: - symbol: Sm # 1 coordinates: [ 0.138538080000000, 0.664952380000000, 0.061960660000000 ] mass: 150.360000 - symbol: Sm # 2 coordinates: [ 0.236139390000000, 0.227581820000000, 0.423739770000000 ] mass: 150.360000 - symbol: Sm # 3 coordinates: [ 0.284828750000000, 0.755041970000000, 0.630126040000000 ] mass: 150.360000 - symbol: Sm # 4 coordinates: [ 0.357274770000000, 0.235982390000000, 0.894054620000000 ] mass: 150.360000 - symbol: Sm # 5 coordinates: [ 0.642725230000000, 0.735982390000000, 0.105945380000000 ] mass: 150.360000 - symbol: Sm # 6 coordinates: [ 0.715171250000000, 0.255041970000000, 0.369873960000000 ] mass: 150.360000 - symbol: Sm # 7 coordinates: [ 0.763860610000000, 0.727581820000000, 0.576260230000000 ] mass: 150.360000 - symbol: Sm # 8 coordinates: [ 0.861461920000000, 0.164952380000000, 0.938039340000000 ] mass: 150.360000 - symbol: Zr # 9 coordinates: [ 0.074124670000000, 0.731546900000000, 0.819026980000000 ] mass: 91.224000 - symbol: Zr # 10 coordinates: [ 0.028104220000000, 0.237986650000000, 0.618966740000000 ] mass: 91.224000 - symbol: Zr # 11 coordinates: [ 0.412294400000000, 0.221523060000000, 0.173745280000000 ] mass: 91.224000 - symbol: Zr # 12 coordinates: [ 0.469199260000000, 0.736640560000000, 0.374449330000000 ] mass: 91.224000 - symbol: Zr # 13 coordinates: [ 0.530800740000000, 0.236640560000000, 0.625550670000000 ] mass: 91.224000 - symbol: Zr # 14 coordinates: [ 0.587705600000000, 0.721523060000000, 0.826254720000000 ] mass: 91.224000 - symbol: Zr # 15 coordinates: [ 0.971895780000000, 0.737986650000000, 0.381033260000000 ] mass: 91.224000 - symbol: Zr # 16 coordinates: [ 0.925875330000000, 0.231546900000000, 0.180973020000000 ] mass: 91.224000 - symbol: O # 17 coordinates: [ 0.080287030000000, 0.447649570000000, 0.914145840000000 ] mass: 15.999400 - symbol: O # 18 coordinates: [ 0.003502370000000, 0.575278500000000, 0.675266180000000 ] mass: 15.999400 - symbol: O # 19 coordinates: [ 0.172362720000000, 0.352043780000000, 0.183059360000000 ] mass: 15.999400 - symbol: O # 20 coordinates: [ 0.223384930000000, 0.634824500000000, 0.388021790000000 ] mass: 15.999400 - symbol: O # 21 coordinates: [ 0.143520200000000, 0.951786590000000, 0.933690120000000 ] mass: 15.999400 - symbol: O # 22 coordinates: [ 0.065259550000000, 0.955618740000000, 0.520545770000000 ] mass: 15.999400 - symbol: O # 23 coordinates: [ 0.135463510000000, 0.033500330000000, 0.730129800000000 ] mass: 15.999400 - symbol: O # 24 coordinates: [ 0.368725960000000, 0.895043460000000, 0.121808730000000 ] mass: 15.999400 - symbol: O # 25 coordinates: [ 0.422151550000000, 0.080700090000000, 0.325857990000000 ] mass: 15.999400 - symbol: O # 26 coordinates: [ 0.272200100000000, 0.352187210000000, 0.587266390000000 ] mass: 15.999400 - symbol: O # 27 coordinates: [ 0.323718850000000, 0.606644280000000, 0.799256600000000 ] mass: 15.999400 - symbol: O # 28 coordinates: [ 0.416412720000000, 0.423654970000000, 0.049584650000000 ] mass: 15.999400 - symbol: O # 29 coordinates: [ 0.552508270000000, 0.459750620000000, 0.477337770000000 ] mass: 15.999400 - symbol: O # 30 coordinates: [ 0.523214620000000, 0.527573620000000, 0.265764950000000 ] mass: 15.999400 - symbol: O # 31 coordinates: [ 0.476785380000000, 0.027573620000000, 0.734235050000000 ] mass: 15.999400 - symbol: O # 32 coordinates: [ 0.447491730000000, 0.959750620000000, 0.522662230000000 ] mass: 15.999400 - symbol: O # 33 coordinates: [ 0.583587280000000, 0.923654970000000, 0.950415350000000 ] mass: 15.999400 - symbol: O # 34 coordinates: [ 0.676281150000000, 0.106644280000000, 0.200743400000000 ] mass: 15.999400 - symbol: O # 35 coordinates: [ 0.727799900000000, 0.852187210000000, 0.412733610000000 ] mass: 15.999400 - symbol: O # 36 coordinates: [ 0.577848450000000, 0.580700090000000, 0.674142010000000 ] mass: 15.999400 - symbol: O # 37 coordinates: [ 0.631274040000000, 0.395043460000000, 0.878191270000000 ] mass: 15.999400 - symbol: O # 38 coordinates: [ 0.864536490000000, 0.533500330000000, 0.269870200000000 ] mass: 15.999400 - symbol: O # 39 coordinates: [ 0.934740450000000, 0.455618740000000, 0.479454230000000 ] mass: 15.999400 - symbol: O # 40 coordinates: [ 0.856479800000000, 0.451786590000000, 0.066309880000000 ] mass: 15.999400 - symbol: O # 41 coordinates: [ 0.776615070000000, 0.134824500000000, 0.611978210000000 ] mass: 15.999400 - symbol: O # 42 coordinates: [ 0.827637280000000, 0.852043780000000, 0.816940640000000 ] mass: 15.999400 - symbol: O # 43 coordinates: [ 0.996497630000000, 0.075278500000000, 0.324733820000000 ] mass: 15.999400 - symbol: O # 44 coordinates: [ 0.919712970000000, 0.947649570000000, 0.085854160000000 ] mass: 15.999400 reciprocal_lattice: # without 2pi - [ 0.127315586213936, 0.000000000000000, 0.018922625668292 ] # a* - [ 0.000000000000000, 0.179782363920010, 0.000000000000000 ] # b* - [ -0.000002110812202, 0.000000000000000, 0.073922327299878 ] # c*unit_cell: lattice: - [ 7.854464530000000, 0.000000000000000, 0.000224280000000 ] # a - [ 0.000000000000000, 5.562280850000000, 0.000000000000000 ] # b - [ -2.010584590000000, 0.000000000000000, 13.527655210000001 ] # c points: - symbol: Sm # 1 coordinates: [ 0.138538080000000, 0.664952380000000, 0.061960660000000 ] mass: 150.360000 reduced_to: 1 - symbol: Sm # 2 coordinates: [ 0.236139390000000, 0.227581820000000, 0.423739770000000 ] mass: 150.360000 reduced_to: 2 - symbol: Sm # 3 coordinates: [ 0.284828750000000, 0.755041970000000, 0.630126040000000 ] mass: 150.360000 reduced_to: 3 - symbol: Sm # 4 coordinates: [ 0.357274770000000, 0.235982390000000, 0.894054620000000 ] mass: 150.360000 reduced_to: 4 - symbol: Sm # 5 coordinates: [ 0.642725230000000, 0.735982390000000, 0.105945380000000 ] mass: 150.360000 reduced_to: 5 - symbol: Sm # 6 coordinates: [ 0.715171250000000, 0.255041970000000, 0.369873960000000 ] mass: 150.360000 reduced_to: 6 - symbol: Sm # 7 coordinates: [ 0.763860610000000, 0.727581820000000, 0.576260230000000 ] mass: 150.360000 reduced_to: 7 - symbol: Sm # 8 coordinates: [ 0.861461920000000, 0.164952380000000, 0.938039340000000 ] mass: 150.360000 reduced_to: 8 - symbol: Zr # 9 coordinates: [ 0.074124670000000, 0.731546900000000, 0.819026980000000 ] mass: 91.224000 reduced_to: 9 - symbol: Zr # 10 coordinates: [ 0.028104220000000, 0.237986650000000, 0.618966740000000 ] mass: 91.224000 reduced_to: 10 - symbol: Zr # 11 coordinates: [ 0.412294400000000, 0.221523060000000, 0.173745280000000 ] mass: 91.224000 reduced_to: 11 - symbol: Zr # 12 coordinates: [ 0.469199260000000, 0.736640560000000, 0.374449330000000 ] mass: 91.224000 reduced_to: 12 - symbol: Zr # 13 coordinates: [ 0.530800740000000, 0.236640560000000, 0.625550670000000 ] mass: 91.224000 reduced_to: 13 - symbol: Zr # 14 coordinates: [ 0.587705600000000, 0.721523060000000, 0.826254720000000 ] mass: 91.224000 reduced_to: 14 - symbol: Zr # 15 coordinates: [ 0.971895780000000, 0.737986650000000, 0.381033260000000 ] mass: 91.224000 reduced_to: 15 - symbol: Zr # 16 coordinates: [ 0.925875330000000, 0.231546900000000, 0.180973020000000 ] mass: 91.224000 reduced_to: 16 - symbol: O # 17 coordinates: [ 0.080287030000000, 0.447649570000000, 0.914145840000000 ] mass: 15.999400 reduced_to: 17 - symbol: O # 18 coordinates: [ 0.003502370000000, 0.575278500000000, 0.675266180000000 ] mass: 15.999400 reduced_to: 18 - symbol: O # 19 coordinates: [ 0.172362720000000, 0.352043780000000, 0.183059360000000 ] mass: 15.999400 reduced_to: 19 - symbol: O # 20 coordinates: [ 0.223384930000000, 0.634824500000000, 0.388021790000000 ] mass: 15.999400 reduced_to: 20 - symbol: O # 21 coordinates: [ 0.143520200000000, 0.951786590000000, 0.933690120000000 ] mass: 15.999400 reduced_to: 21 - symbol: O # 22 coordinates: [ 0.065259550000000, 0.955618740000000, 0.520545770000000 ] mass: 15.999400 reduced_to: 22 - symbol: O # 23 coordinates: [ 0.135463510000000, 0.033500330000000, 0.730129800000000 ] mass: 15.999400 reduced_to: 23 - symbol: O # 24 coordinates: [ 0.368725960000000, 0.895043460000000, 0.121808730000000 ] mass: 15.999400 reduced_to: 24 - symbol: O # 25 coordinates: [ 0.422151550000000, 0.080700090000000, 0.325857990000000 ] mass: 15.999400 reduced_to: 25 - symbol: O # 26 coordinates: [ 0.272200100000000, 0.352187210000000, 0.587266390000000 ] mass: 15.999400 reduced_to: 26 - symbol: O # 27 coordinates: [ 0.323718850000000, 0.606644280000000, 0.799256600000000 ] mass: 15.999400 reduced_to: 27 - symbol: O # 28 coordinates: [ 0.416412720000000, 0.423654970000000, 0.049584650000000 ] mass: 15.999400 reduced_to: 28 - symbol: O # 29 coordinates: [ 0.552508270000000, 0.459750620000000, 0.477337770000000 ] mass: 15.999400 reduced_to: 29 - symbol: O # 30 coordinates: [ 0.523214620000000, 0.527573620000000, 0.265764950000000 ] mass: 15.999400 reduced_to: 30 - symbol: O # 31 coordinates: [ 0.476785380000000, 0.027573620000000, 0.734235050000000 ] mass: 15.999400 reduced_to: 31 - symbol: O # 32 coordinates: [ 0.447491730000000, 0.959750620000000, 0.522662230000000 ] mass: 15.999400 reduced_to: 32 - symbol: O # 33 coordinates: [ 0.583587280000000, 0.923654970000000, 0.950415350000000 ] mass: 15.999400 reduced_to: 33 - symbol: O # 34 coordinates: [ 0.676281150000000, 0.106644280000000, 0.200743400000000 ] mass: 15.999400 reduced_to: 34 - symbol: O # 35 coordinates: [ 0.727799900000000, 0.852187210000000, 0.412733610000000 ] mass: 15.999400 reduced_to: 35 - symbol: O # 36 coordinates: [ 0.577848450000000, 0.580700090000000, 0.674142010000000 ] mass: 15.999400 reduced_to: 36 - symbol: O # 37 coordinates: [ 0.631274040000000, 0.395043460000000, 0.878191270000000 ] mass: 15.999400 reduced_to: 37 - symbol: O # 38 coordinates: [ 0.864536490000000, 0.533500330000000, 0.269870200000000 ] mass: 15.999400 reduced_to: 38 - symbol: O # 39 coordinates: [ 0.934740450000000, 0.455618740000000, 0.479454230000000 ] mass: 15.999400 reduced_to: 39 - symbol: O # 40 coordinates: [ 0.856479800000000, 0.451786590000000, 0.066309880000000 ] mass: 15.999400 reduced_to: 40 - symbol: O # 41 coordinates: [ 0.776615070000000, 0.134824500000000, 0.611978210000000 ] mass: 15.999400 reduced_to: 41 - symbol: O # 42 coordinates: [ 0.827637280000000, 0.852043780000000, 0.816940640000000 ] mass: 15.999400 reduced_to: 42 - symbol: O # 43 coordinates: [ 0.996497630000000, 0.075278500000000, 0.324733820000000 ] mass: 15.999400 reduced_to: 43 - symbol: O # 44 coordinates: [ 0.919712970000000, 0.947649570000000, 0.085854160000000 ] mass: 15.999400 reduced_to: 44supercell: lattice: - [ 7.854464530000000, 0.000000000000000, 0.000224280000000 ] # a - [ 0.000000000000000, 11.124561699999999, 0.000000000000000 ] # b - [ -2.010584590000000, 0.000000000000000, 13.527655210000001 ] # c points: - symbol: Sm # 1 coordinates: [ 0.138538080000000, 0.332476190000000, 0.061960660000000 ] mass: 150.360000 reduced_to: 1 - symbol: Sm # 2 coordinates: [ 0.138538080000000, 0.832476190000000, 0.061960660000000 ] mass: 150.360000 reduced_to: 1 - symbol: Sm # 3 coordinates: [ 0.236139390000000, 0.113790910000000, 0.423739770000000 ] mass: 150.360000 reduced_to: 3 - symbol: Sm # 4 coordinates: [ 0.236139390000000, 0.613790910000000, 0.423739770000000 ] mass: 150.360000 reduced_to: 3 - symbol: Sm # 5 coordinates: [ 0.284828750000000, 0.377520985000000, 0.630126040000000 ] mass: 150.360000 reduced_to: 5 - symbol: Sm # 6 coordinates: [ 0.284828750000000, 0.877520985000000, 0.630126040000000 ] mass: 150.360000 reduced_to: 5 - symbol: Sm # 7 coordinates: [ 0.357274770000000, 0.117991195000000, 0.894054620000000 ] mass: 150.360000 reduced_to: 7 - symbol: Sm # 8 coordinates: [ 0.357274770000000, 0.617991195000000, 0.894054620000000 ] mass: 150.360000 reduced_to: 7 - symbol: Sm # 9 coordinates: [ 0.642725230000000, 0.367991195000000, 0.105945380000000 ] mass: 150.360000 reduced_to: 9 - symbol: Sm # 10 coordinates: [ 0.642725230000000, 0.867991195000000, 0.105945380000000 ] mass: 150.360000 reduced_to: 9 - symbol: Sm # 11 coordinates: [ 0.715171250000000, 0.127520985000000, 0.369873960000000 ] mass: 150.360000 reduced_to: 11 - symbol: Sm # 12 coordinates: [ 0.715171250000000, 0.627520985000000, 0.369873960000000 ] mass: 150.360000 reduced_to: 11 - symbol: Sm # 13 coordinates: [ 0.763860610000000, 0.363790910000000, 0.576260230000000 ] mass: 150.360000 reduced_to: 13 - symbol: Sm # 14 coordinates: [ 0.763860610000000, 0.863790910000000, 0.576260230000000 ] mass: 150.360000 reduced_to: 13 - symbol: Sm # 15 coordinates: [ 0.861461920000000, 0.082476190000000, 0.938039340000000 ] mass: 150.360000 reduced_to: 15 - symbol: Sm # 16 coordinates: [ 0.861461920000000, 0.582476190000000, 0.938039340000000 ] mass: 150.360000 reduced_to: 15 - symbol: Zr # 17 coordinates: [ 0.074124670000000, 0.365773450000000, 0.819026980000000 ] mass: 91.224000 reduced_to: 17 - symbol: Zr # 18 coordinates: [ 0.074124670000000, 0.865773450000000, 0.819026980000000 ] mass: 91.224000 reduced_to: 17 - symbol: Zr # 19 coordinates: [ 0.028104220000000, 0.118993325000000, 0.618966740000000 ] mass: 91.224000 reduced_to: 19 - symbol: Zr # 20 coordinates: [ 0.028104220000000, 0.618993325000000, 0.618966740000000 ] mass: 91.224000 reduced_to: 19 - symbol: Zr # 21 coordinates: [ 0.412294400000000, 0.110761530000000, 0.173745280000000 ] mass: 91.224000 reduced_to: 21 - symbol: Zr # 22 coordinates: [ 0.412294400000000, 0.610761530000000, 0.173745280000000 ] mass: 91.224000 reduced_to: 21 - symbol: Zr # 23 coordinates: [ 0.469199260000000, 0.368320280000000, 0.374449330000000 ] mass: 91.224000 reduced_to: 23 - symbol: Zr # 24 coordinates: [ 0.469199260000000, 0.868320280000000, 0.374449330000000 ] mass: 91.224000 reduced_to: 23 - symbol: Zr # 25 coordinates: [ 0.530800740000000, 0.118320280000000, 0.625550670000000 ] mass: 91.224000 reduced_to: 25 - symbol: Zr # 26 coordinates: [ 0.530800740000000, 0.618320280000000, 0.625550670000000 ] mass: 91.224000 reduced_to: 25 - symbol: Zr # 27 coordinates: [ 0.587705600000000, 0.360761530000000, 0.826254720000000 ] mass: 91.224000 reduced_to: 27 - symbol: Zr # 28 coordinates: [ 0.587705600000000, 0.860761530000000, 0.826254720000000 ] mass: 91.224000 reduced_to: 27 - symbol: Zr # 29 coordinates: [ 0.971895780000000, 0.368993325000000, 0.381033260000000 ] mass: 91.224000 reduced_to: 29 - symbol: Zr # 30 coordinates: [ 0.971895780000000, 0.868993325000000, 0.381033260000000 ] mass: 91.224000 reduced_to: 29 - symbol: Zr # 31 coordinates: [ 0.925875330000000, 0.115773450000000, 0.180973020000000 ] mass: 91.224000 reduced_to: 31 - symbol: Zr # 32 coordinates: [ 0.925875330000000, 0.615773450000000, 0.180973020000000 ] mass: 91.224000 reduced_to: 31 - symbol: O # 33 coordinates: [ 0.080287030000000, 0.223824785000000, 0.914145840000000 ] mass: 15.999400 reduced_to: 33 - symbol: O # 34 coordinates: [ 0.080287030000000, 0.723824785000000, 0.914145840000000 ] mass: 15.999400 reduced_to: 33 - symbol: O # 35 coordinates: [ 0.003502370000000, 0.287639250000000, 0.675266180000000 ] mass: 15.999400 reduced_to: 35 - symbol: O # 36 coordinates: [ 0.003502370000000, 0.787639250000000, 0.675266180000000 ] mass: 15.999400 reduced_to: 35 - symbol: O # 37 coordinates: [ 0.172362720000000, 0.176021890000000, 0.183059360000000 ] mass: 15.999400 reduced_to: 37 - symbol: O # 38 coordinates: [ 0.172362720000000, 0.676021890000000, 0.183059360000000 ] mass: 15.999400 reduced_to: 37 - symbol: O # 39 coordinates: [ 0.223384930000000, 0.317412250000000, 0.388021790000000 ] mass: 15.999400 reduced_to: 39 - symbol: O # 40 coordinates: [ 0.223384930000000, 0.817412250000000, 0.388021790000000 ] mass: 15.999400 reduced_to: 39 - symbol: O # 41 coordinates: [ 0.143520200000000, 0.475893295000000, 0.933690120000000 ] mass: 15.999400 reduced_to: 41 - symbol: O # 42 coordinates: [ 0.143520200000000, 0.975893295000000, 0.933690120000000 ] mass: 15.999400 reduced_to: 41 - symbol: O # 43 coordinates: [ 0.065259550000000, 0.477809370000000, 0.520545770000000 ] mass: 15.999400 reduced_to: 43 - symbol: O # 44 coordinates: [ 0.065259550000000, 0.977809370000000, 0.520545770000000 ] mass: 15.999400 reduced_to: 43 - symbol: O # 45 coordinates: [ 0.135463510000000, 0.016750165000000, 0.730129800000000 ] mass: 15.999400 reduced_to: 45 - symbol: O # 46 coordinates: [ 0.135463510000000, 0.516750165000000, 0.730129800000000 ] mass: 15.999400 reduced_to: 45 - symbol: O # 47 coordinates: [ 0.368725960000000, 0.447521730000000, 0.121808730000000 ] mass: 15.999400 reduced_to: 47 - symbol: O # 48 coordinates: [ 0.368725960000000, 0.947521730000000, 0.121808730000000 ] mass: 15.999400 reduced_to: 47 - symbol: O # 49 coordinates: [ 0.422151550000000, 0.040350045000000, 0.325857990000000 ] mass: 15.999400 reduced_to: 49 - symbol: O # 50 coordinates: [ 0.422151550000000, 0.540350045000000, 0.325857990000000 ] mass: 15.999400 reduced_to: 49 - symbol: O # 51 coordinates: [ 0.272200100000000, 0.176093605000000, 0.587266390000000 ] mass: 15.999400 reduced_to: 51 - symbol: O # 52 coordinates: [ 0.272200100000000, 0.676093605000000, 0.587266390000000 ] mass: 15.999400 reduced_to: 51 - symbol: O # 53 coordinates: [ 0.323718850000000, 0.303322140000000, 0.799256600000000 ] mass: 15.999400 reduced_to: 53 - symbol: O # 54 coordinates: [ 0.323718850000000, 0.803322140000000, 0.799256600000000 ] mass: 15.999400 reduced_to: 53 - symbol: O # 55 coordinates: [ 0.416412720000000, 0.211827485000000, 0.049584650000000 ] mass: 15.999400 reduced_to: 55 - symbol: O # 56 coordinates: [ 0.416412720000000, 0.711827485000000, 0.049584650000000 ] mass: 15.999400 reduced_to: 55 - symbol: O # 57 coordinates: [ 0.552508270000000, 0.229875310000000, 0.477337770000000 ] mass: 15.999400 reduced_to: 57 - symbol: O # 58 coordinates: [ 0.552508270000000, 0.729875310000000, 0.477337770000000 ] mass: 15.999400 reduced_to: 57 - symbol: O # 59 coordinates: [ 0.523214620000000, 0.263786810000000, 0.265764950000000 ] mass: 15.999400 reduced_to: 59 - symbol: O # 60 coordinates: [ 0.523214620000000, 0.763786810000000, 0.265764950000000 ] mass: 15.999400 reduced_to: 59 - symbol: O # 61 coordinates: [ 0.476785380000000, 0.013786810000000, 0.734235050000000 ] mass: 15.999400 reduced_to: 61 - symbol: O # 62 coordinates: [ 0.476785380000000, 0.513786810000000, 0.734235050000000 ] mass: 15.999400 reduced_to: 61 - symbol: O # 63 coordinates: [ 0.447491730000000, 0.479875310000000, 0.522662230000000 ] mass: 15.999400 reduced_to: 63 - symbol: O # 64 coordinates: [ 0.447491730000000, 0.979875310000000, 0.522662230000000 ] mass: 15.999400 reduced_to: 63 - symbol: O # 65 coordinates: [ 0.583587280000000, 0.461827485000000, 0.950415350000000 ] mass: 15.999400 reduced_to: 65 - symbol: O # 66 coordinates: [ 0.583587280000000, 0.961827485000000, 0.950415350000000 ] mass: 15.999400 reduced_to: 65 - symbol: O # 67 coordinates: [ 0.676281150000000, 0.053322140000000, 0.200743400000000 ] mass: 15.999400 reduced_to: 67 - symbol: O # 68 coordinates: [ 0.676281150000000, 0.553322140000000, 0.200743400000000 ] mass: 15.999400 reduced_to: 67 - symbol: O # 69 coordinates: [ 0.727799900000000, 0.426093605000000, 0.412733610000000 ] mass: 15.999400 reduced_to: 69 - symbol: O # 70 coordinates: [ 0.727799900000000, 0.926093605000000, 0.412733610000000 ] mass: 15.999400 reduced_to: 69 - symbol: O # 71 coordinates: [ 0.577848450000000, 0.290350045000000, 0.674142010000000 ] mass: 15.999400 reduced_to: 71 - symbol: O # 72 coordinates: [ 0.577848450000000, 0.790350045000000, 0.674142010000000 ] mass: 15.999400 reduced_to: 71 - symbol: O # 73 coordinates: [ 0.631274040000000, 0.197521730000000, 0.878191270000000 ] mass: 15.999400 reduced_to: 73 - symbol: O # 74 coordinates: [ 0.631274040000000, 0.697521730000000, 0.878191270000000 ] mass: 15.999400 reduced_to: 73 - symbol: O # 75 coordinates: [ 0.864536490000000, 0.266750165000000, 0.269870200000000 ] mass: 15.999400 reduced_to: 75 - symbol: O # 76 coordinates: [ 0.864536490000000, 0.766750165000000, 0.269870200000000 ] mass: 15.999400 reduced_to: 75 - symbol: O # 77 coordinates: [ 0.934740450000000, 0.227809370000000, 0.479454230000000 ] mass: 15.999400 reduced_to: 77 - symbol: O # 78 coordinates: [ 0.934740450000000, 0.727809370000000, 0.479454230000000 ] mass: 15.999400 reduced_to: 77 - symbol: O # 79 coordinates: [ 0.856479800000000, 0.225893295000000, 0.066309880000000 ] mass: 15.999400 reduced_to: 79 - symbol: O # 80 coordinates: [ 0.856479800000000, 0.725893295000000, 0.066309880000000 ] mass: 15.999400 reduced_to: 79 - symbol: O # 81 coordinates: [ 0.776615070000000, 0.067412250000000, 0.611978210000000 ] mass: 15.999400 reduced_to: 81 - symbol: O # 82 coordinates: [ 0.776615070000000, 0.567412250000000, 0.611978210000000 ] mass: 15.999400 reduced_to: 81 - symbol: O # 83 coordinates: [ 0.827637280000000, 0.426021890000000, 0.816940640000000 ] mass: 15.999400 reduced_to: 83 - symbol: O # 84 coordinates: [ 0.827637280000000, 0.926021890000000, 0.816940640000000 ] mass: 15.999400 reduced_to: 83 - symbol: O # 85 coordinates: [ 0.996497630000000, 0.037639250000000, 0.324733820000000 ] mass: 15.999400 reduced_to: 85 - symbol: O # 86 coordinates: [ 0.996497630000000, 0.537639250000000, 0.324733820000000 ] mass: 15.999400 reduced_to: 85 - symbol: O # 87 coordinates: [ 0.919712970000000, 0.473824785000000, 0.085854160000000 ] mass: 15.999400 reduced_to: 87 - symbol: O # 88 coordinates: [ 0.919712970000000, 0.973824785000000, 0.085854160000000 ] mass: 15.999400 reduced_to: 87displacements:- atom: 1 displacement: [ 0.0099999999959232, 0.0000000000000000, 0.0000002855446085 ] forces: - [ -0.1047679700000000, -0.0146011900000000, -0.0099962900000000 ] - [ -0.0047054300000000, 0.0004506200000000, -0.0007581400000000 ] - [ -0.0014204300000000, 0.0001076600000000, -0.0000988400000000 ] - [ -0.0021257100000000, 0.0003953100000000, 0.0007375900000000 ] - [ -0.0002691500000000, 0.0001636200000000, -0.0002601700000000 ] - [ -0.0002220200000000, -0.0000764000000000, -0.0000132800000000 ] - [ 0.0001055100000000, -0.0067459200000000, -0.0118868500000000 ] - [ 0.0009448500000000, 0.0025278800000000, -0.0049573900000000 ] - [ 0.0400785400000000, -0.0022013000000000, -0.0005296700000000 ] - [ 0.0050439200000000, 0.0001541300000000, 0.0000036900000000 ] - [ 0.0025779200000000, -0.0001361200000000, -0.0000670100000000 ] - [ 0.0023642000000000, 0.0001481800000000, 0.0006103900000000 ] - [ 0.0004188100000000, 0.0002851100000000, 0.0005133500000000 ] - [ 0.0002541600000000, 0.0002605000000000, 0.0002128500000000 ] - [ 0.0022897500000000, 0.0109820600000000, 0.0098502900000000 ] - [ 0.0022677800000000, -0.0092294200000000, 0.0103135900000000 ] - [ -0.0091923900000000, -0.0038502700000000, 0.0002389400000000 ] - [ -0.0008719300000000, -0.0000228200000000, 0.0001223000000000 ] - [ -0.0003371700000000, 0.0001712600000000, -0.0001821400000000 ] - [ -0.0002938800000000, -0.0001441200000000, -0.0000269700000000 ] - [ -0.0000942700000000, -0.0205866900000000, 0.0192733100000000 ] - [ 0.0036908300000000, 0.0251369300000000, 0.0096636400000000 ] - [ -0.0001121500000000, -0.0005325900000000, 0.0061672500000000 ] - [ -0.0003112500000000, 0.0007009400000000, 0.0016263900000000 ] - [ 0.0001231800000000, 0.0001874700000000, 0.0006358500000000 ] - [ 0.0001636300000000, 0.0002190600000000, 0.0009171900000000 ] - [ 0.0048935600000000, -0.0007045900000000, -0.0002707800000000 ] - [ 0.0011199000000000, -0.0008730300000000, 0.0000385400000000 ] - [ -0.0006704900000000, -0.0011801200000000, -0.0047645200000000 ] - [ -0.0001392100000000, 0.0005477000000000, -0.0014518700000000 ] - [ 0.0000999300000000, 0.0205094100000000, -0.0212126100000000 ] - [ 0.0017880800000000, -0.0164859900000000, -0.0122241900000000 ] - [ 0.0148882700000000, 0.0005957200000000, -0.0046050800000000 ] - [ 0.0016484500000000, 0.0000506700000000, 0.0002197600000000 ] - [ 0.0003945800000000, 0.0001523600000000, -0.0001328800000000 ] - [ 0.0001618100000000, 0.0001463400000000, -0.0001616700000000 ] - [ 0.0190108700000000, -0.0023340200000000, 0.0017013500000000 ] - [ 0.0082031400000000, -0.0007979400000000, 0.0002040400000000 ] - [ 0.0020608100000000, 0.0002559000000000, 0.0000100000000000 ] - [ 0.0009756700000000, -0.0001190100000000, 0.0001205700000000 ] - [ 0.0115458400000000, 0.0034253600000000, -0.0013057500000000 ] - [ 0.0018081300000000, -0.0000861700000000, 0.0005292300000000 ] - [ 0.0002105300000000, 0.0003300100000000, 0.0004381700000000 ] - [ 0.0000475100000000, 0.0001156200000000, 0.0003100800000000 ] - [ 0.0005826100000000, 0.0001598400000000, 0.0005281600000000 ] - [ 0.0004832400000000, 0.0004220300000000, 0.0002588200000000 ] - [ 0.0278927200000000, 0.0094404400000000, 0.0065233800000000 ] - [ 0.0006589600000000, 0.0034747700000000, 0.0004029100000000 ] - [ 0.0005960800000000, 0.0008085800000000, -0.0021654400000000 ] - [ 0.0001104300000000, -0.0007655900000000, -0.0044399400000000 ] - [ 0.0001776000000000, 0.0000411100000000, 0.0001116700000000 ] - [ 0.0001277700000000, -0.0000274100000000, -0.0001396000000000 ] - [ 0.0004317400000000, -0.0004738700000000, 0.0013271200000000 ] - [ -0.0001565900000000, -0.0004364600000000, -0.0001061300000000 ] - [ -0.0043913800000000, 0.0123765300000000, -0.0026152500000000 ] - [ -0.0007960000000000, -0.0040664000000000, 0.0038878200000000 ] - [ -0.0004072900000000, 0.0005854900000000, -0.0009155200000000 ] - [ -0.0002959600000000, 0.0000257200000000, -0.0006806400000000 ] - [ -0.0021266300000000, 0.0013868600000000, -0.0051695000000000 ] - [ -0.0014893300000000, -0.0031492200000000, -0.0037093500000000 ] - [ -0.0005295100000000, 0.0003753500000000, 0.0004289600000000 ] - [ -0.0004341500000000, 0.0002255300000000, 0.0001088000000000 ] - [ 0.0001710100000000, -0.0002106200000000, -0.0008554700000000 ] - [ 0.0002038700000000, -0.0001449200000000, -0.0005360000000000 ] - [ -0.0063107100000000, -0.0003055700000000, 0.0013600400000000 ] - [ -0.0018851300000000, 0.0005619700000000, 0.0006031400000000 ] - [ -0.0046125500000000, -0.0005337200000000, 0.0002572700000000 ] - [ -0.0084322200000000, -0.0004878800000000, 0.0002389600000000 ] - [ -0.0015461700000000, 0.0001916800000000, -0.0002722800000000 ] - [ -0.0008206300000000, -0.0001163100000000, -0.0001108700000000 ] - [ -0.0003674200000000, -0.0000421100000000, -0.0002422100000000 ] - [ -0.0001535500000000, 0.0000520100000000, -0.0002566600000000 ] - [ -0.0041657000000000, 0.0002316800000000, -0.0009795500000000 ] - [ -0.0019920600000000, 0.0007487400000000, -0.0002307500000000 ] - [ -0.0021855800000000, 0.0001415000000000, 0.0057380700000000 ] - [ -0.0015445100000000, 0.0023966800000000, 0.0020186300000000 ] - [ -0.0001879000000000, -0.0003412800000000, 0.0009586500000000 ] - [ -0.0001384000000000, -0.0001819300000000, 0.0004240700000000 ] - [ -0.0017400000000000, -0.0079230900000000, 0.0055397600000000 ] - [ -0.0006996600000000, 0.0037258600000000, -0.0011242800000000 ] - [ 0.0000242000000000, 0.0000002800000000, -0.0002874900000000 ] - [ 0.0000508600000000, 0.0001027000000000, -0.0004307300000000 ] - [ -0.0001156900000000, -0.0002384600000000, -0.0021886100000000 ] - [ -0.0000877200000000, -0.0014730000000000, -0.0011095300000000 ] - [ 0.0004567700000000, -0.0013310300000000, 0.0035299400000000 ] - [ 0.0002044700000000, 0.0006446100000000, 0.0027022000000000 ] - [ 0.0111721000000000, 0.0011978400000000, 0.0024962200000000 ] - [ 0.0006213400000000, -0.0043810400000000, -0.0004310200000000 ]- atom: 1 displacement: [ -0.0099999999959232, 0.0000000000000000, -0.0000002855446085 ] forces: - [ 0.1046130700000000, 0.0131973000000000, 0.0091577600000000 ] - [ 0.0046682100000000, -0.0005999400000000, 0.0008481600000000 ] - [ 0.0016110700000000, 0.0003495000000000, 0.0003659400000000 ] - [ 0.0023138200000000, 0.0000601500000000, -0.0004511200000000 ] - [ 0.0003709500000000, -0.0001910800000000, 0.0001589600000000 ] - [ 0.0003327100000000, 0.0000517200000000, -0.0000962000000000 ] - [ -0.0002785300000000, 0.0062817300000000, 0.0115213600000000 ] - [ -0.0010960900000000, -0.0029792400000000, 0.0046531100000000 ] - [ -0.0399534400000000, 0.0018352100000000, 0.0008922000000000 ] - [ -0.0049634800000000, -0.0005839900000000, 0.0002689700000000 ] - [ -0.0026938700000000, 0.0000942700000000, 0.0001977000000000 ] - [ -0.0024772100000000, -0.0001667200000000, -0.0004774400000000 ] - [ -0.0005991000000000, 0.0001655800000000, -0.0007633900000000 ] - [ -0.0004430700000000, 0.0001944400000000, -0.0004733700000000 ] - [ -0.0021475300000000, -0.0111683100000000, -0.0100595800000000 ] - [ -0.0021696300000000, 0.0091171000000000, -0.0104951100000000 ] - [ 0.0094996400000000, 0.0036921300000000, 0.0000661000000000 ] - [ 0.0011913300000000, -0.0000104300000000, -0.0001292800000000 ] - [ 0.0001692900000000, -0.0002963800000000, 0.0001278600000000 ] - [ 0.0001343200000000, -0.0000123400000000, -0.0000345600000000 ] - [ 0.0001882300000000, 0.0200684000000000, -0.0189825100000000 ] - [ -0.0035263200000000, -0.0253469800000000, -0.0094608900000000 ] - [ 0.0002053400000000, 0.0007092600000000, -0.0065392600000000 ] - [ 0.0004202400000000, -0.0005226500000000, -0.0020266600000000 ] - [ -0.0002366100000000, -0.0000134400000000, -0.0002158900000000 ] - [ -0.0002766100000000, -0.0000452300000000, -0.0004968600000000 ] - [ -0.0050582600000000, 0.0003289600000000, 0.0000412100000000 ] - [ -0.0012902600000000, 0.0005147900000000, -0.0002016200000000 ] - [ 0.0008592300000000, 0.0010477400000000, 0.0048926300000000 ] - [ 0.0003080600000000, -0.0006902700000000, 0.0015581100000000 ] - [ -0.0003237000000000, -0.0207296500000000, 0.0213995800000000 ] - [ -0.0021015200000000, 0.0165071100000000, 0.0122770400000000 ] - [ -0.0146949100000000, -0.0009726500000000, 0.0044461900000000 ] - [ -0.0013978400000000, -0.0003098800000000, -0.0001280200000000 ] - [ -0.0003099100000000, 0.0001084100000000, -0.0000362000000000 ] - [ -0.0000772300000000, 0.0001236800000000, 0.0000397400000000 ] - [ -0.0190403800000000, 0.0024201900000000, -0.0016605800000000 ] - [ -0.0081571500000000, 0.0008086400000000, -0.0001006400000000 ] - [ -0.0025618300000000, -0.0002092000000000, 0.0003653600000000 ] - [ -0.0014775000000000, 0.0001580600000000, 0.0002479000000000 ] - [ -0.0117369400000000, -0.0033229900000000, 0.0016997600000000 ] - [ -0.0019442600000000, 0.0000764700000000, -0.0001520200000000 ] - [ -0.0003689800000000, -0.0001737100000000, -0.0007268600000000 ] - [ -0.0002052600000000, 0.0000389100000000, -0.0005947100000000 ] - [ -0.0004849600000000, 0.0001135000000000, -0.0000450900000000 ] - [ -0.0003805500000000, -0.0001045200000000, 0.0001861900000000 ] - [ -0.0266148300000000, -0.0085350600000000, -0.0057725200000000 ] - [ -0.0008112900000000, -0.0036738900000000, -0.0003325900000000 ] - [ -0.0005501400000000, -0.0005060400000000, 0.0021283300000000 ] - [ -0.0000723400000000, 0.0010558300000000, 0.0043919000000000 ] - [ -0.0002370100000000, -0.0000545100000000, 0.0000055000000000 ] - [ -0.0001876800000000, 0.0000167200000000, 0.0002558000000000 ] - [ -0.0007258700000000, 0.0001833800000000, -0.0016852200000000 ] - [ -0.0001883100000000, 0.0001507300000000, -0.0002542100000000 ] - [ 0.0051047900000000, -0.0124597000000000, 0.0024990800000000 ] - [ 0.0009498400000000, 0.0041363600000000, -0.0039789100000000 ] - [ 0.0002397300000000, -0.0006036300000000, 0.0009760900000000 ] - [ 0.0001284000000000, -0.0000481000000000, 0.0007460500000000 ] - [ 0.0023027200000000, -0.0012072100000000, 0.0046198000000000 ] - [ 0.0016689200000000, 0.0032980000000000, 0.0031960300000000 ] - [ 0.0003551100000000, -0.0002065800000000, 0.0000697800000000 ] - [ 0.0002637100000000, -0.0000586700000000, 0.0003926700000000 ] - [ -0.0000012300000000, 0.0001879900000000, 0.0007696500000000 ] - [ -0.0000345900000000, 0.0001210100000000, 0.0004536900000000 ] - [ 0.0061458800000000, 0.0003646800000000, -0.0011741000000000 ] - [ 0.0017311600000000, -0.0004838100000000, -0.0004767500000000 ] - [ 0.0049633700000000, 0.0002474800000000, 0.0001075800000000 ] - [ 0.0087801800000000, 0.0001767200000000, 0.0001081400000000 ] - [ 0.0016089900000000, -0.0002030500000000, 0.0001361900000000 ] - [ 0.0008842500000000, 0.0001083800000000, -0.0000191100000000 ] - [ 0.0003317400000000, 0.0003407200000000, 0.0002682100000000 ] - [ 0.0001184400000000, 0.0002461500000000, 0.0002782700000000 ] - [ 0.0043265100000000, -0.0004294600000000, 0.0009361600000000 ] - [ 0.0021635000000000, -0.0009652800000000, 0.0001662100000000 ] - [ 0.0020917600000000, 0.0001512600000000, -0.0062934600000000 ] - [ 0.0014509300000000, -0.0021259600000000, -0.0025237700000000 ] - [ 0.0003442700000000, 0.0005059700000000, -0.0007076300000000 ] - [ 0.0002950400000000, 0.0003451400000000, -0.0001656600000000 ] - [ 0.0010566700000000, 0.0076517200000000, -0.0059321700000000 ] - [ 0.0008466800000000, -0.0037110300000000, 0.0007661000000000 ] - [ 0.0004723700000000, 0.0000358200000000, -0.0000900000000000 ] - [ 0.0004451900000000, -0.0000641900000000, 0.0000544900000000 ] - [ 0.0000043300000000, 0.0002780100000000, 0.0021037000000000 ] - [ 0.0000348600000000, 0.0015019900000000, 0.0010096700000000 ] - [ -0.0005575300000000, 0.0016077800000000, -0.0034377600000000 ] - [ -0.0002971900000000, -0.0003781800000000, -0.0025992000000000 ] - [ -0.0123529200000000, -0.0007360000000000, -0.0024214000000000 ] - [ -0.0008910000000000, 0.0041248600000000, 0.0003613700000000 ]- atom: 1 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0139212500000000, -0.1287045300000000, 0.0065476800000000 ] - [ 0.0005081700000000, 0.0128717400000000, -0.0002694900000000 ] - [ -0.0000877300000000, 0.0002474500000000, -0.0056313400000000 ] - [ 0.0000055100000000, 0.0009115800000000, 0.0030722000000000 ] - [ 0.0004077500000000, -0.0015282700000000, -0.0005323400000000 ] - [ 0.0000090000000000, 0.0013822200000000, -0.0002239300000000 ] - [ -0.0067357900000000, 0.0063321200000000, 0.0116269500000000 ] - [ 0.0065137300000000, 0.0073019800000000, -0.0066080500000000 ] - [ 0.0041255000000000, -0.0238140800000000, -0.0025104300000000 ] - [ -0.0004571800000000, 0.0093082000000000, 0.0011359300000000 ] - [ 0.0002020100000000, -0.0008113800000000, -0.0034496300000000 ] - [ 0.0000837600000000, 0.0010787200000000, 0.0032474500000000 ] - [ -0.0002680000000000, -0.0008662900000000, -0.0009521600000000 ] - [ -0.0000625600000000, 0.0013293600000000, -0.0001361400000000 ] - [ 0.0091408400000000, 0.0129266400000000, 0.0109039500000000 ] - [ -0.0111171800000000, 0.0129756200000000, -0.0116407800000000 ] - [ -0.0025527800000000, -0.0318905200000000, -0.0124401800000000 ] - [ -0.0004242000000000, 0.0066048400000000, 0.0009319200000000 ] - [ 0.0001869200000000, -0.0011639200000000, 0.0002943000000000 ] - [ -0.0005660200000000, 0.0012237100000000, -0.0013481100000000 ] - [ -0.0229591100000000, 0.0199844200000000, -0.0161677200000000 ] - [ 0.0078554500000000, 0.0225599200000000, 0.0106914300000000 ] - [ 0.0006933200000000, -0.0074458600000000, 0.0009296200000000 ] - [ -0.0005304700000000, 0.0065345600000000, -0.0002630800000000 ] - [ -0.0001773000000000, -0.0005459500000000, 0.0004086700000000 ] - [ 0.0000828200000000, 0.0007042100000000, -0.0004039400000000 ] - [ -0.0012107200000000, -0.0095604500000000, -0.0011082500000000 ] - [ 0.0006272200000000, 0.0062375800000000, 0.0004283900000000 ] - [ -0.0007008100000000, -0.0074641200000000, -0.0007329900000000 ] - [ 0.0007530400000000, 0.0065065200000000, 0.0000711100000000 ] - [ 0.0227858300000000, 0.0180820200000000, -0.0172509400000000 ] - [ -0.0072278100000000, 0.0178467300000000, 0.0128941200000000 ] - [ 0.0014040800000000, 0.0230780300000000, 0.0001371300000000 ] - [ -0.0004423600000000, -0.0065314300000000, 0.0016699400000000 ] - [ 0.0000885200000000, 0.0023899300000000, 0.0023041600000000 ] - [ 0.0001874100000000, -0.0011099600000000, -0.0006625600000000 ] - [ 0.0000804900000000, 0.0089064000000000, -0.0030004300000000 ] - [ 0.0005835700000000, -0.0065245700000000, -0.0009826000000000 ] - [ -0.0001017600000000, 0.0025183300000000, 0.0008865200000000 ] - [ -0.0001854300000000, -0.0016360000000000, 0.0000424700000000 ] - [ 0.0008167500000000, 0.0193085800000000, 0.0056938100000000 ] - [ -0.0002423400000000, -0.0059471000000000, -0.0024046500000000 ] - [ -0.0000525900000000, 0.0011564400000000, 0.0003086100000000 ] - [ -0.0002217000000000, -0.0006746600000000, 0.0003044500000000 ] - [ -0.0001671200000000, -0.0011023600000000, -0.0008634600000000 ] - [ 0.0005317700000000, 0.0012666200000000, 0.0034612400000000 ] - [ 0.0149227300000000, 0.0153171300000000, 0.0076712200000000 ] - [ 0.0001737900000000, -0.0094274300000000, -0.0021665100000000 ] - [ 0.0012778000000000, -0.0036142000000000, 0.0050110300000000 ] - [ -0.0003537100000000, 0.0016546100000000, -0.0053914200000000 ] - [ -0.0000596400000000, 0.0005930200000000, 0.0009068400000000 ] - [ -0.0001096100000000, -0.0004788800000000, -0.0002707500000000 ] - [ -0.0000414300000000, 0.0045720100000000, -0.0012559600000000 ] - [ 0.0000903300000000, -0.0028298600000000, 0.0008303600000000 ] - [ 0.0123358700000000, 0.0055548200000000, -0.0003893400000000 ] - [ -0.0014164200000000, -0.0064521600000000, 0.0020342000000000 ] - [ -0.0001690200000000, 0.0010905100000000, 0.0005448900000000 ] - [ 0.0000570900000000, -0.0012724500000000, -0.0001580900000000 ] - [ 0.0009139300000000, 0.0064166900000000, 0.0031700800000000 ] - [ -0.0004391700000000, -0.0054296800000000, -0.0038854600000000 ] - [ 0.0002858400000000, -0.0009635500000000, -0.0004984900000000 ] - [ -0.0003930900000000, 0.0008217800000000, 0.0011560200000000 ] - [ 0.0000390200000000, 0.0008263600000000, -0.0000725000000000 ] - [ 0.0002206000000000, -0.0007750100000000, 0.0004227800000000 ] - [ -0.0006252800000000, 0.0038314200000000, 0.0038048500000000 ] - [ -0.0000871600000000, -0.0037904400000000, -0.0018524000000000 ] - [ -0.0001448100000000, -0.0040268900000000, 0.0034547200000000 ] - [ 0.0000677900000000, -0.0004891000000000, -0.0030545200000000 ] - [ -0.0001101200000000, 0.0017496900000000, -0.0002710000000000 ] - [ 0.0000131600000000, -0.0017760000000000, 0.0005703500000000 ] - [ 0.0001328900000000, 0.0014354700000000, 0.0004426000000000 ] - [ -0.0001548700000000, -0.0008366800000000, -0.0001136900000000 ] - [ -0.0010377100000000, 0.0044113400000000, -0.0041902300000000 ] - [ 0.0013516000000000, -0.0051087700000000, 0.0024298100000000 ] - [ -0.0013236900000000, 0.0060339800000000, 0.0048637200000000 ] - [ 0.0006350300000000, -0.0051449200000000, -0.0039356300000000 ] - [ 0.0001705900000000, 0.0010700700000000, 0.0009686200000000 ] - [ -0.0001049100000000, -0.0012339600000000, 0.0001082400000000 ] - [ -0.0108649300000000, 0.0076583800000000, 0.0011183600000000 ] - [ 0.0015119800000000, -0.0069090600000000, 0.0010080400000000 ] - [ 0.0002540900000000, -0.0000901300000000, -0.0002867400000000 ] - [ 0.0003833000000000, 0.0001233500000000, 0.0001124800000000 ] - [ 0.0024919200000000, 0.0042679800000000, 0.0029014100000000 ] - [ -0.0004071200000000, -0.0029016600000000, -0.0015571800000000 ] - [ -0.0012606400000000, -0.0041028200000000, 0.0058137900000000 ] - [ 0.0005010200000000, 0.0023935600000000, -0.0047246100000000 ] - [ -0.0050588300000000, 0.0112926100000000, -0.0018985300000000 ] - [ -0.0009294800000000, -0.0077141100000000, -0.0017801800000000 ]- atom: 1 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0138714000000000, 0.1287883500000000, -0.0066653800000000 ] - [ -0.0005424600000000, -0.0130165500000000, 0.0003761800000000 ] - [ 0.0002791000000000, 0.0002105000000000, 0.0058973100000000 ] - [ 0.0001866100000000, -0.0004627100000000, -0.0027905900000000 ] - [ -0.0002958700000000, 0.0014994900000000, 0.0004185600000000 ] - [ 0.0001072800000000, -0.0014047700000000, 0.0001029800000000 ] - [ 0.0067000600000000, -0.0067551900000000, -0.0119600700000000 ] - [ -0.0065619800000000, -0.0077219200000000, 0.0062923400000000 ] - [ -0.0040479200000000, 0.0233337400000000, 0.0027806800000000 ] - [ 0.0005335600000000, -0.0097352500000000, -0.0008513600000000 ] - [ -0.0003161000000000, 0.0007896500000000, 0.0035654300000000 ] - [ -0.0002004300000000, -0.0011083300000000, -0.0031277700000000 ] - [ 0.0000786800000000, 0.0013175900000000, 0.0006854500000000 ] - [ -0.0001301000000000, -0.0008735000000000, -0.0001366800000000 ] - [ -0.0092051500000000, -0.0131213300000000, -0.0111084600000000 ] - [ 0.0110324200000000, -0.0130726400000000, 0.0114342000000000 ] - [ 0.0028533800000000, 0.0317281500000000, 0.0125567800000000 ] - [ 0.0007391700000000, -0.0066391700000000, -0.0009790400000000 ] - [ -0.0003557700000000, 0.0010326900000000, -0.0003791600000000 ] - [ 0.0004012600000000, -0.0013777300000000, 0.0012589100000000 ] - [ 0.0233454000000000, -0.0204306500000000, 0.0164823000000000 ] - [ -0.0075718800000000, -0.0228924900000000, -0.0104680600000000 ] - [ -0.0005874700000000, 0.0076096100000000, -0.0013513700000000 ] - [ 0.0006448400000000, -0.0063506900000000, -0.0001417200000000 ] - [ 0.0000640600000000, 0.0007248200000000, 0.0000048200000000 ] - [ -0.0001955800000000, -0.0005355300000000, 0.0008159100000000 ] - [ 0.0010433500000000, 0.0091884300000000, 0.0009520300000000 ] - [ -0.0007976800000000, -0.0065868600000000, -0.0005953200000000 ] - [ 0.0008731600000000, 0.0073072500000000, 0.0008123800000000 ] - [ -0.0005879100000000, -0.0066393000000000, 0.0000279100000000 ] - [ -0.0233117500000000, -0.0181918800000000, 0.0174237000000000 ] - [ 0.0068162600000000, -0.0178535500000000, -0.0128273900000000 ] - [ -0.0012036800000000, -0.0237150000000000, -0.0006794700000000 ] - [ 0.0006994900000000, 0.0062396000000000, -0.0015708100000000 ] - [ -0.0000010500000000, -0.0021174300000000, -0.0024256500000000 ] - [ -0.0000999700000000, 0.0013841400000000, 0.0005568200000000 ] - [ -0.0000302900000000, -0.0097021500000000, 0.0038195600000000 ] - [ -0.0005360700000000, 0.0065015900000000, 0.0010608900000000 ] - [ -0.0004000800000000, -0.0024798800000000, -0.0005094700000000 ] - [ -0.0003168600000000, 0.0016716300000000, 0.0003239000000000 ] - [ -0.0008488400000000, -0.0186384300000000, -0.0059556000000000 ] - [ 0.0000973800000000, 0.0059766800000000, 0.0028053400000000 ] - [ -0.0001052300000000, -0.0009932900000000, -0.0005827900000000 ] - [ 0.0000636700000000, 0.0008309700000000, -0.0005771400000000 ] - [ 0.0002589200000000, 0.0013720000000000, 0.0013638100000000 ] - [ -0.0004368800000000, -0.0009705100000000, -0.0029819700000000 ] - [ -0.0142796500000000, -0.0150942000000000, -0.0072214600000000 ] - [ -0.0003525500000000, 0.0092074100000000, 0.0022259700000000 ] - [ -0.0012397400000000, 0.0039066500000000, -0.0050365400000000 ] - [ 0.0003840000000000, -0.0013475800000000, 0.0053556100000000 ] - [ -0.0000041500000000, -0.0006057400000000, -0.0007826500000000 ] - [ 0.0000458200000000, 0.0004698100000000, 0.0003937800000000 ] - [ -0.0003030200000000, -0.0048541800000000, 0.0008962500000000 ] - [ -0.0004430900000000, 0.0025382400000000, -0.0011810700000000 ] - [ -0.0120580100000000, -0.0057401700000000, 0.0002996200000000 ] - [ 0.0015557800000000, 0.0065366600000000, -0.0021556200000000 ] - [ 0.0000014100000000, -0.0011134300000000, -0.0004706500000000 ] - [ -0.0002252300000000, 0.0012505000000000, 0.0002307400000000 ] - [ -0.0007419800000000, -0.0062584500000000, -0.0036721200000000 ] - [ 0.0006131500000000, 0.0055938700000000, 0.0033774800000000 ] - [ -0.0004615900000000, 0.0011240900000000, 0.0010000800000000 ] - [ 0.0002166600000000, -0.0006500400000000, -0.0006562600000000 ] - [ 0.0001290500000000, -0.0008451300000000, -0.0000030100000000 ] - [ -0.0000525400000000, 0.0007500700000000, -0.0004978000000000 ] - [ 0.0004731900000000, -0.0037299600000000, -0.0036870600000000 ] - [ -0.0000617400000000, 0.0038650400000000, 0.0019724200000000 ] - [ 0.0004936100000000, 0.0037283600000000, -0.0031015900000000 ] - [ 0.0002899000000000, 0.0002152400000000, 0.0034205800000000 ] - [ 0.0001740000000000, -0.0017566600000000, 0.0001456000000000 ] - [ 0.0000510600000000, 0.0017617900000000, -0.0006946700000000 ] - [ -0.0001687200000000, -0.0011375400000000, -0.0004203400000000 ] - [ 0.0001187200000000, 0.0011366200000000, 0.0001410100000000 ] - [ 0.0012013300000000, -0.0046301200000000, 0.0041231500000000 ] - [ -0.0011815200000000, 0.0048894200000000, -0.0024905500000000 ] - [ 0.0012325400000000, -0.0057640300000000, -0.0053549800000000 ] - [ -0.0007242200000000, 0.0054253200000000, 0.0034311700000000 ] - [ -0.0000129300000000, -0.0009109300000000, -0.0006966600000000 ] - [ 0.0002634800000000, 0.0013949800000000, 0.0001608800000000 ] - [ 0.0108550100000000, -0.0078750600000000, -0.0014575900000000 ] - [ -0.0013582200000000, 0.0069309800000000, -0.0013808900000000 ] - [ 0.0002476900000000, 0.0001267500000000, -0.0000855300000000 ] - [ 0.0001181000000000, -0.0000815700000000, -0.0004842100000000 ] - [ -0.0025344100000000, -0.0042221800000000, -0.0029988900000000 ] - [ 0.0003669500000000, 0.0029221500000000, 0.0014565600000000 ] - [ 0.0011719800000000, 0.0043649400000000, -0.0056967400000000 ] - [ -0.0005839600000000, -0.0021133200000000, 0.0048253100000000 ] - [ 0.0040872200000000, -0.0109612900000000, 0.0019304900000000 ] - [ 0.0006941600000000, 0.0074325700000000, 0.0016872800000000 ]- atom: 1 displacement: [ -0.0014701282124378, 0.0000000000000000, 0.0098913458659069 ] forces: - [ 0.0059356800000000, 0.0089603900000000, -0.1441326200000000 ] - [ -0.0001222000000000, -0.0004862000000000, -0.0062292200000000 ] - [ 0.0002139100000000, -0.0019140400000000, 0.0068624500000000 ] - [ 0.0001296100000000, 0.0013663700000000, 0.0045329700000000 ] - [ -0.0011492500000000, -0.0004945600000000, 0.0061971200000000 ] - [ -0.0003172300000000, -0.0000811200000000, 0.0024988000000000 ] - [ -0.0109181500000000, 0.0102674600000000, 0.0001882400000000 ] - [ -0.0084428900000000, -0.0090433400000000, -0.0015104200000000 ] - [ -0.0025718600000000, -0.0020335300000000, -0.0082587800000000 ] - [ 0.0001413200000000, -0.0006786300000000, -0.0035037200000000 ] - [ -0.0003825000000000, -0.0016785800000000, 0.0034890900000000 ] - [ -0.0000691400000000, 0.0012241800000000, 0.0025786700000000 ] - [ 0.0008397800000000, 0.0002761200000000, 0.0059061700000000 ] - [ 0.0001602100000000, 0.0001861700000000, 0.0029486500000000 ] - [ 0.0099589400000000, 0.0096945800000000, -0.0076435200000000 ] - [ 0.0095216600000000, -0.0096087200000000, -0.0076962700000000 ] - [ 0.0012833700000000, -0.0077619600000000, 0.0583449500000000 ] - [ 0.0004221900000000, 0.0004110400000000, 0.0019965600000000 ] - [ -0.0000615600000000, 0.0024666900000000, 0.0064734300000000 ] - [ 0.0008600900000000, -0.0025572600000000, 0.0067079900000000 ] - [ 0.0202488000000000, -0.0121246400000000, -0.0070356800000000 ] - [ 0.0031007100000000, 0.0119683600000000, -0.0002783100000000 ] - [ 0.0031042000000000, 0.0020056600000000, 0.0082210900000000 ] - [ -0.0000345800000000, -0.0010762900000000, 0.0028815600000000 ] - [ -0.0003132200000000, 0.0011417800000000, 0.0046755000000000 ] - [ -0.0002738000000000, -0.0010932900000000, 0.0044307500000000 ] - [ 0.0012642300000000, -0.0008808200000000, 0.0006234200000000 ] - [ -0.0000028000000000, -0.0008213700000000, 0.0005316900000000 ] - [ -0.0024535700000000, 0.0022716600000000, 0.0102523400000000 ] - [ 0.0000340100000000, -0.0017003300000000, 0.0035582600000000 ] - [ -0.0210524000000000, -0.0184582800000000, -0.0007854500000000 ] - [ -0.0037102000000000, 0.0093584600000000, 0.0004196400000000 ] - [ -0.0029372700000000, 0.0048970700000000, 0.0272119200000000 ] - [ -0.0005468100000000, 0.0036783100000000, 0.0016197100000000 ] - [ -0.0006554500000000, -0.0025661400000000, -0.0080268300000000 ] - [ -0.0003880700000000, 0.0002349600000000, -0.0017251100000000 ] - [ -0.0024296200000000, 0.0001114500000000, 0.0130007500000000 ] - [ 0.0005057700000000, -0.0031660800000000, 0.0012254100000000 ] - [ -0.0003630900000000, 0.0003806900000000, -0.0041808300000000 ] - [ -0.0001584700000000, 0.0003789500000000, -0.0008307500000000 ] - [ -0.0013025600000000, -0.0014712400000000, 0.0135752600000000 ] - [ -0.0002679100000000, -0.0046177000000000, 0.0020779400000000 ] - [ -0.0000869700000000, -0.0010343600000000, -0.0044995700000000 ] - [ 0.0001599900000000, -0.0006453100000000, -0.0031522300000000 ] - [ 0.0001308800000000, -0.0002605500000000, -0.0020052800000000 ] - [ 0.0010087100000000, 0.0055613200000000, -0.0080081700000000 ] - [ 0.0033746100000000, 0.0019867400000000, 0.0127112300000000 ] - [ -0.0004649800000000, 0.0033884400000000, 0.0026541900000000 ] - [ -0.0009483300000000, 0.0022197100000000, -0.0018083800000000 ] - [ -0.0004696500000000, -0.0011225000000000, -0.0020576200000000 ] - [ 0.0003244800000000, -0.0008638200000000, -0.0029018400000000 ] - [ 0.0003860500000000, 0.0000529900000000, -0.0021127800000000 ] - [ 0.0057931400000000, -0.0006801100000000, -0.0055247700000000 ] - [ 0.0000777300000000, 0.0008737500000000, -0.0012834400000000 ] - [ 0.0005445700000000, -0.0022516400000000, 0.0177430800000000 ] - [ 0.0002223100000000, -0.0007392800000000, 0.0056277200000000 ] - [ -0.0004607100000000, 0.0006498100000000, -0.0033409700000000 ] - [ -0.0001198700000000, 0.0004704000000000, -0.0024679300000000 ] - [ -0.0020221300000000, 0.0001892400000000, -0.0030808800000000 ] - [ -0.0002578400000000, -0.0014743000000000, -0.0014053500000000 ] - [ 0.0003508700000000, 0.0002200200000000, -0.0015937100000000 ] - [ 0.0005164900000000, 0.0021677100000000, -0.0025331300000000 ] - [ 0.0001983100000000, -0.0005862000000000, -0.0034697600000000 ] - [ -0.0000513200000000, -0.0003389200000000, -0.0026028700000000 ] - [ 0.0013167000000000, 0.0006958900000000, 0.0058440900000000 ] - [ -0.0000892000000000, -0.0020243000000000, 0.0028318900000000 ] - [ 0.0008287800000000, 0.0019907600000000, 0.0002506100000000 ] - [ -0.0003932700000000, -0.0010199800000000, -0.0003251000000000 ] - [ 0.0001615100000000, -0.0004149400000000, -0.0028344100000000 ] - [ -0.0000250000000000, 0.0010111000000000, -0.0018038900000000 ] - [ 0.0004168600000000, -0.0011133200000000, -0.0029689700000000 ] - [ 0.0002923000000000, 0.0001120000000000, -0.0012465700000000 ] - [ 0.0002316500000000, -0.0011686300000000, 0.0014163000000000 ] - [ 0.0009415100000000, 0.0017711600000000, -0.0003205500000000 ] - [ 0.0028851500000000, 0.0005796800000000, -0.0049616000000000 ] - [ 0.0000503100000000, -0.0010167700000000, -0.0009806200000000 ] - [ 0.0003206700000000, 0.0010570200000000, -0.0040839800000000 ] - [ 0.0000060700000000, 0.0009753000000000, -0.0029214100000000 ] - [ -0.0022781800000000, -0.0003549000000000, 0.0154031800000000 ] - [ 0.0001866300000000, -0.0008215200000000, 0.0038414300000000 ] - [ -0.0001399000000000, -0.0006033000000000, -0.0016011200000000 ] - [ -0.0003222000000000, 0.0000162500000000, -0.0018117800000000 ] - [ -0.0081008800000000, 0.0028575100000000, -0.0030175100000000 ] - [ -0.0004892200000000, -0.0001948600000000, -0.0003876600000000 ] - [ 0.0008348800000000, 0.0028330400000000, -0.0028956800000000 ] - [ 0.0007168300000000, -0.0015685200000000, -0.0025186800000000 ] - [ -0.0030246200000000, -0.0010176300000000, 0.0130832400000000 ] - [ 0.0006664400000000, 0.0026695700000000, 0.0059284400000000 ]- atom: 1 displacement: [ 0.0014701282124378, 0.0000000000000000, -0.0098913458659069 ] forces: - [ -0.0059086800000000, -0.0081915200000000, 0.1473630700000000 ] - [ 0.0000883100000000, 0.0003069100000000, 0.0063690800000000 ] - [ -0.0000193000000000, 0.0023369400000000, -0.0066014700000000 ] - [ 0.0000708300000000, -0.0008969400000000, -0.0042819400000000 ] - [ 0.0012740800000000, 0.0004755500000000, -0.0063329600000000 ] - [ 0.0004348700000000, 0.0000546400000000, -0.0026188400000000 ] - [ 0.0109272200000000, -0.0108020300000000, -0.0004524800000000 ] - [ 0.0083991800000000, 0.0086561300000000, 0.0012666300000000 ] - [ 0.0026088500000000, 0.0016439600000000, 0.0085293100000000 ] - [ -0.0000639600000000, 0.0002282300000000, 0.0037922500000000 ] - [ 0.0002597100000000, 0.0016269000000000, -0.0033798700000000 ] - [ -0.0000541200000000, -0.0012419900000000, -0.0024979600000000 ] - [ -0.0010401300000000, 0.0001794600000000, -0.0061935200000000 ] - [ -0.0003544900000000, 0.0002655700000000, -0.0032280500000000 ] - [ -0.0099717200000000, -0.0098732200000000, 0.0076117700000000 ] - [ -0.0095197400000000, 0.0094673500000000, 0.0076910000000000 ] - [ -0.0010260300000000, 0.0078813600000000, -0.0593750500000000 ] - [ -0.0001097700000000, -0.0004615800000000, -0.0020052600000000 ] - [ -0.0001045500000000, -0.0026407000000000, -0.0065732100000000 ] - [ -0.0010329700000000, 0.0024449400000000, -0.0068266400000000 ] - [ -0.0200644600000000, 0.0117501300000000, 0.0071094800000000 ] - [ -0.0029378000000000, -0.0124922700000000, 0.0003432400000000 ] - [ -0.0029501300000000, -0.0018004200000000, -0.0086334900000000 ] - [ 0.0001529400000000, 0.0012366800000000, -0.0033229500000000 ] - [ 0.0002021300000000, -0.0009855300000000, -0.0042693700000000 ] - [ 0.0001609400000000, 0.0012847500000000, -0.0040285100000000 ] - [ -0.0014324600000000, 0.0005259800000000, -0.0007460500000000 ] - [ -0.0001642300000000, 0.0004547600000000, -0.0006792000000000 ] - [ 0.0025845300000000, -0.0023831100000000, -0.0101261800000000 ] - [ 0.0001296100000000, 0.0015496300000000, -0.0034941500000000 ] - [ 0.0206519000000000, 0.0183039400000000, 0.0007057600000000 ] - [ 0.0033804200000000, -0.0094573700000000, -0.0005074000000000 ] - [ 0.0030944700000000, -0.0061419100000000, -0.0287922700000000 ] - [ 0.0008106100000000, -0.0039618400000000, -0.0015479800000000 ] - [ 0.0007464600000000, 0.0028528300000000, 0.0079507600000000 ] - [ 0.0004769800000000, 0.0000272500000000, 0.0016083400000000 ] - [ 0.0024521800000000, -0.0008049600000000, -0.0122843800000000 ] - [ -0.0004796700000000, 0.0032104000000000, -0.0011086600000000 ] - [ -0.0001469400000000, -0.0003351500000000, 0.0045202200000000 ] - [ -0.0003467600000000, -0.0003419100000000, 0.0012110300000000 ] - [ 0.0012855300000000, 0.0022179900000000, -0.0140800300000000 ] - [ 0.0001277500000000, 0.0046685300000000, -0.0017156500000000 ] - [ -0.0000703500000000, 0.0011862000000000, 0.0042347900000000 ] - [ -0.0003180800000000, 0.0008161100000000, 0.0028932400000000 ] - [ -0.0000387300000000, 0.0005478200000000, 0.0024936600000000 ] - [ -0.0009270700000000, -0.0053218100000000, 0.0085553800000000 ] - [ -0.0033139500000000, -0.0020152800000000, -0.0126966800000000 ] - [ 0.0003013200000000, -0.0035979200000000, -0.0025875300000000 ] - [ 0.0009850100000000, -0.0019157100000000, 0.0018001100000000 ] - [ 0.0004937500000000, 0.0014004700000000, 0.0020720600000000 ] - [ -0.0003913500000000, 0.0008639100000000, 0.0030309300000000 ] - [ -0.0004540200000000, -0.0000705000000000, 0.0022436300000000 ] - [ -0.0061999100000000, 0.0003970200000000, 0.0052091600000000 ] - [ -0.0004288500000000, -0.0011612900000000, 0.0009207600000000 ] - [ -0.0004101100000000, 0.0022897300000000, -0.0179382800000000 ] - [ -0.0000696500000000, 0.0008496400000000, -0.0057853700000000 ] - [ 0.0002910000000000, -0.0006688700000000, 0.0034214800000000 ] - [ -0.0000486400000000, -0.0004972200000000, 0.0025559600000000 ] - [ 0.0021779300000000, -0.0000185100000000, 0.0025962700000000 ] - [ 0.0004426100000000, 0.0016742700000000, 0.0009445000000000 ] - [ -0.0005279300000000, -0.0000472400000000, 0.0020894800000000 ] - [ -0.0006970200000000, -0.0020150500000000, 0.0030355100000000 ] - [ -0.0000341600000000, 0.0005561800000000, 0.0034023600000000 ] - [ 0.0002178700000000, 0.0003250900000000, 0.0025380800000000 ] - [ -0.0014775400000000, -0.0006223200000000, -0.0057874300000000 ] - [ -0.0000594700000000, 0.0021179000000000, -0.0027309200000000 ] - [ -0.0004829400000000, -0.0022734000000000, 0.0001226500000000 ] - [ 0.0007663700000000, 0.0007513300000000, 0.0007279900000000 ] - [ -0.0000917400000000, 0.0003909700000000, 0.0027176600000000 ] - [ 0.0000905400000000, -0.0010152300000000, 0.0016891800000000 ] - [ -0.0004558000000000, 0.0014203900000000, 0.0029989900000000 ] - [ -0.0003295900000000, 0.0001828800000000, 0.0012680500000000 ] - [ -0.0000725000000000, 0.0009703000000000, -0.0015069100000000 ] - [ -0.0007827400000000, -0.0019814300000000, 0.0002451400000000 ] - [ -0.0029313600000000, -0.0002659900000000, 0.0044516700000000 ] - [ -0.0001424300000000, 0.0013236500000000, 0.0005145100000000 ] - [ -0.0001589800000000, -0.0008908700000000, 0.0043600500000000 ] - [ 0.0001544300000000, -0.0008233000000000, 0.0032087200000000 ] - [ 0.0023720000000000, 0.0002837700000000, -0.0158095200000000 ] - [ -0.0000459400000000, 0.0008650100000000, -0.0042322500000000 ] - [ 0.0006448200000000, 0.0006499200000000, 0.0012316000000000 ] - [ 0.0008295500000000, 0.0000174900000000, 0.0014451800000000 ] - [ 0.0081261400000000, -0.0028652900000000, 0.0029303400000000 ] - [ 0.0004457900000000, 0.0002165600000000, 0.0002787100000000 ] - [ -0.0009228200000000, -0.0025606200000000, 0.0030335800000000 ] - [ -0.0007880700000000, 0.0018029500000000, 0.0026539500000000 ] - [ 0.0026630500000000, 0.0008366300000000, -0.0131886800000000 ] - [ -0.0009220000000000, -0.0029467000000000, -0.0060201600000000 ]- atom: 3 displacement: [ 0.0099999999959232, 0.0000000000000000, 0.0000002855446085 ] forces: - [ -0.0015328600000000, -0.0002643400000000, -0.0000487700000000 ] - [ -0.0022382400000000, -0.0001731200000000, -0.0002495800000000 ] - [ -0.1326491800000000, 0.0058526500000000, 0.0044511300000000 ] - [ -0.0023146000000000, 0.0000511100000000, 0.0001018600000000 ] - [ -0.0030514900000000, -0.0005657300000000, -0.0002073000000000 ] - [ -0.0104083000000000, 0.0000166900000000, -0.0000283700000000 ] - [ -0.0009000500000000, -0.0003167200000000, -0.0009548200000000 ] - [ -0.0004509600000000, -0.0003280400000000, -0.0003685900000000 ] - [ 0.0025627900000000, -0.0002921100000000, 0.0000333000000000 ] - [ 0.0029476400000000, -0.0003063900000000, 0.0000807100000000 ] - [ 0.0338099800000000, 0.0002928300000000, -0.0004677900000000 ] - [ 0.0029510500000000, -0.0001167700000000, 0.0000195200000000 ] - [ 0.0074563800000000, 0.0007203000000000, 0.0004332000000000 ] - [ 0.0074550200000000, 0.0001351400000000, 0.0001533000000000 ] - [ 0.0005269900000000, 0.0000946500000000, 0.0009628500000000 ] - [ 0.0003663600000000, -0.0001143500000000, 0.0002509200000000 ] - [ -0.0000477600000000, -0.0006503800000000, -0.0011853900000000 ] - [ 0.0003722900000000, 0.0011676700000000, -0.0014418900000000 ] - [ 0.0092273900000000, -0.0047102700000000, -0.0283610600000000 ] - [ -0.0001757100000000, 0.0003565500000000, -0.0014012900000000 ] - [ 0.0015424400000000, 0.0044193600000000, -0.0164742600000000 ] - [ -0.0003853100000000, -0.0013646000000000, -0.0014068600000000 ] - [ -0.0001405200000000, 0.0219209000000000, -0.0065076400000000 ] - [ 0.0100984200000000, -0.0314355600000000, -0.0016811900000000 ] - [ 0.0058506500000000, 0.0054057700000000, 0.0276560800000000 ] - [ -0.0002985300000000, -0.0004792500000000, 0.0015678000000000 ] - [ -0.0000503700000000, 0.0001456100000000, 0.0010780900000000 ] - [ 0.0005130900000000, -0.0011827000000000, 0.0011274900000000 ] - [ 0.0017867500000000, -0.0209297600000000, 0.0052038900000000 ] - [ 0.0111182000000000, 0.0302058500000000, 0.0012862600000000 ] - [ 0.0026656600000000, -0.0051162500000000, 0.0185103100000000 ] - [ -0.0005190100000000, 0.0009592000000000, 0.0017258000000000 ] - [ 0.0005229000000000, -0.0001200400000000, 0.0002240100000000 ] - [ 0.0002599800000000, -0.0003470700000000, 0.0003837600000000 ] - [ -0.0003500000000000, 0.0032428700000000, 0.0022278100000000 ] - [ -0.0000849000000000, -0.0003472800000000, 0.0006510600000000 ] - [ 0.0069511500000000, 0.0000074100000000, -0.0002526900000000 ] - [ 0.0011444400000000, 0.0000094800000000, 0.0000538800000000 ] - [ 0.0150750300000000, 0.0008726000000000, -0.0001318100000000 ] - [ 0.0092296900000000, -0.0001021600000000, 0.0000218900000000 ] - [ 0.0001375400000000, 0.0003039900000000, 0.0005198300000000 ] - [ 0.0003275100000000, -0.0000189600000000, 0.0008545600000000 ] - [ 0.0006065200000000, 0.0016214800000000, 0.0006341800000000 ] - [ 0.0058252800000000, -0.0024358000000000, 0.0059955300000000 ] - [ 0.0015547600000000, -0.0018376900000000, 0.0040002800000000 ] - [ 0.0003705500000000, 0.0000659800000000, 0.0006934600000000 ] - [ 0.0001144100000000, 0.0000899700000000, 0.0005358900000000 ] - [ -0.0000812600000000, 0.0017627400000000, 0.0030409800000000 ] - [ 0.0309595500000000, -0.0098168400000000, -0.0182912400000000 ] - [ 0.0006041000000000, -0.0018984400000000, 0.0003656200000000 ] - [ 0.0153156300000000, 0.0001352500000000, 0.0012972700000000 ] - [ 0.0010205100000000, 0.0000479900000000, 0.0000754200000000 ] - [ 0.0003706400000000, -0.0001345000000000, -0.0000239800000000 ] - [ 0.0002578300000000, -0.0001490800000000, -0.0002598100000000 ] - [ -0.0000477900000000, -0.0018326700000000, 0.0026220000000000 ] - [ 0.0001461700000000, 0.0001451200000000, 0.0005032100000000 ] - [ -0.0126424900000000, -0.0120844000000000, -0.0037578900000000 ] - [ -0.0017834200000000, 0.0034782700000000, -0.0022314200000000 ] - [ -0.0036319200000000, -0.0033011200000000, 0.0029883200000000 ] - [ -0.0020433500000000, 0.0035843600000000, 0.0029600900000000 ] - [ 0.0015526900000000, 0.0018494300000000, -0.0031795800000000 ] - [ 0.0003095100000000, 0.0002938400000000, -0.0002091700000000 ] - [ 0.0009876500000000, -0.0013867600000000, -0.0007256400000000 ] - [ 0.0095388600000000, -0.0002236500000000, -0.0049064900000000 ] - [ -0.0001602400000000, -0.0001372300000000, -0.0001799300000000 ] - [ -0.0005390500000000, 0.0000037400000000, -0.0001753400000000 ] - [ -0.0054070200000000, -0.0001129300000000, 0.0002772800000000 ] - [ -0.0008123500000000, -0.0000846500000000, 0.0001989900000000 ] - [ -0.0039826000000000, -0.0002325600000000, 0.0000877800000000 ] - [ -0.0095042700000000, 0.0003212800000000, -0.0002539400000000 ] - [ 0.0000647500000000, -0.0028349300000000, -0.0022376100000000 ] - [ -0.0001205900000000, 0.0007343600000000, -0.0008037800000000 ] - [ -0.0003865900000000, 0.0000393800000000, -0.0004512000000000 ] - [ -0.0000593000000000, 0.0002784700000000, -0.0002882300000000 ] - [ -0.0038756500000000, 0.0033492100000000, -0.0030053400000000 ] - [ -0.0022321700000000, -0.0036534700000000, -0.0031285000000000 ] - [ -0.0137917200000000, 0.0108776100000000, 0.0042030800000000 ] - [ -0.0017640900000000, -0.0033532100000000, 0.0021135500000000 ] - [ -0.0003002700000000, 0.0022172900000000, -0.0031179200000000 ] - [ 0.0000062700000000, 0.0000314900000000, -0.0007841100000000 ] - [ -0.0066290200000000, -0.0001401300000000, -0.0003797900000000 ] - [ -0.0005759700000000, -0.0001359100000000, -0.0002040700000000 ] - [ -0.0005371600000000, 0.0000028900000000, -0.0001238800000000 ] - [ -0.0007405600000000, -0.0001931000000000, -0.0001839600000000 ] - [ 0.0228514100000000, 0.0074470000000000, 0.0112067900000000 ] - [ 0.0004173200000000, 0.0021370000000000, -0.0003962300000000 ] - [ -0.0001807500000000, -0.0001351700000000, -0.0004697100000000 ] - [ -0.0003463400000000, -0.0012987000000000, -0.0024409500000000 ]- atom: 3 displacement: [ -0.0099999999959232, 0.0000000000000000, -0.0000002855446085 ] forces: - [ 0.0014987500000000, 0.0001028500000000, 0.0001655500000000 ] - [ 0.0022013600000000, 0.0000081000000000, 0.0003506900000000 ] - [ 0.1326011100000000, -0.0033672500000000, -0.0028883600000000 ] - [ 0.0025054700000000, 0.0003532800000000, 0.0001676300000000 ] - [ 0.0031635000000000, 0.0004243900000000, 0.0000457100000000 ] - [ 0.0105282200000000, 0.0000044600000000, -0.0001015500000000 ] - [ 0.0008220300000000, -0.0001131600000000, 0.0006460700000000 ] - [ 0.0003724300000000, -0.0001122200000000, 0.0000770000000000 ] - [ -0.0024872000000000, -0.0001282500000000, 0.0002251400000000 ] - [ -0.0028670100000000, -0.0001356700000000, 0.0001879600000000 ] - [ -0.0338809600000000, -0.0003001100000000, 0.0004955700000000 ] - [ -0.0030667700000000, 0.0000760000000000, 0.0001004800000000 ] - [ -0.0076450400000000, -0.0002328000000000, -0.0006581300000000 ] - [ -0.0076462300000000, 0.0003168700000000, -0.0003985700000000 ] - [ -0.0004910500000000, -0.0002520200000000, -0.0010893000000000 ] - [ -0.0003310800000000, -0.0000467100000000, -0.0003733300000000 ] - [ 0.0003774900000000, 0.0006043400000000, 0.0011512900000000 ] - [ -0.0000556200000000, -0.0012044100000000, 0.0014107100000000 ] - [ -0.0092308000000000, 0.0046133800000000, 0.0285163800000000 ] - [ 0.0000176300000000, -0.0005176600000000, 0.0013191700000000 ] - [ -0.0014019700000000, -0.0047543300000000, 0.0165534100000000 ] - [ 0.0005485200000000, 0.0009907400000000, 0.0015688600000000 ] - [ 0.0000330900000000, -0.0215755100000000, 0.0060696700000000 ] - [ -0.0099872900000000, 0.0313952200000000, 0.0012674500000000 ] - [ -0.0061457400000000, -0.0051836600000000, -0.0270379700000000 ] - [ 0.0001775300000000, 0.0006365500000000, -0.0011457500000000 ] - [ -0.0001314700000000, -0.0005092600000000, -0.0012543300000000 ] - [ -0.0006833000000000, 0.0008271900000000, -0.0013019300000000 ] - [ -0.0013996700000000, 0.0209576200000000, -0.0051333400000000 ] - [ -0.0109618300000000, -0.0305649200000000, -0.0011862600000000 ] - [ -0.0029495700000000, 0.0051012300000000, -0.0185911000000000 ] - [ 0.0002107300000000, -0.0010164200000000, -0.0017055800000000 ] - [ -0.0002680700000000, -0.0001603000000000, -0.0001326700000000 ] - [ -0.0000022100000000, 0.0000690800000000, -0.0002921200000000 ] - [ 0.0004067800000000, -0.0029670100000000, -0.0023581400000000 ] - [ 0.0001742100000000, 0.0006152100000000, -0.0007619100000000 ] - [ -0.0069072100000000, -0.0000018100000000, 0.0003138500000000 ] - [ -0.0010988500000000, 0.0000177900000000, 0.0000489600000000 ] - [ -0.0155910000000000, -0.0006824900000000, 0.0004938300000000 ] - [ -0.0097345500000000, 0.0001380400000000, 0.0003319500000000 ] - [ -0.0002805600000000, -0.0002803500000000, -0.0001427200000000 ] - [ -0.0004703500000000, 0.0000398500000000, -0.0004752200000000 ] - [ -0.0007928800000000, -0.0014548300000000, -0.0009040400000000 ] - [ -0.0063591200000000, 0.0023178100000000, -0.0060902300000000 ] - [ -0.0014796000000000, 0.0021024800000000, -0.0034973500000000 ] - [ -0.0002891200000000, 0.0002277400000000, -0.0001941000000000 ] - [ -0.0002702300000000, -0.0003021800000000, -0.0004674300000000 ] - [ -0.0000836600000000, -0.0019688000000000, -0.0029602100000000 ] - [ -0.0296266100000000, 0.0093780400000000, 0.0171208200000000 ] - [ -0.0005479000000000, 0.0022048700000000, -0.0003971100000000 ] - [ -0.0154063800000000, -0.0001183400000000, -0.0008617500000000 ] - [ -0.0010849200000000, -0.0000533400000000, 0.0000459000000000 ] - [ -0.0007199500000000, -0.0001434200000000, -0.0003059500000000 ] - [ -0.0006076900000000, -0.0001391000000000, -0.0000992000000000 ] - [ 0.0002030400000000, 0.0019093100000000, -0.0027183300000000 ] - [ 0.0000046100000000, -0.0000555000000000, -0.0006143300000000 ] - [ 0.0126597900000000, 0.0120063400000000, 0.0038236900000000 ] - [ 0.0016178600000000, -0.0034819000000000, 0.0022817300000000 ] - [ 0.0038118400000000, 0.0034002000000000, -0.0034627200000000 ] - [ 0.0022171100000000, -0.0034027100000000, -0.0034469600000000 ] - [ -0.0017165800000000, -0.0017004500000000, 0.0036896500000000 ] - [ -0.0004755200000000, -0.0001169900000000, 0.0007145300000000 ] - [ -0.0007926000000000, 0.0013694600000000, 0.0006507000000000 ] - [ -0.0089909900000000, -0.0001237400000000, 0.0050595500000000 ] - [ 0.0000119800000000, 0.0002218900000000, 0.0003099500000000 ] - [ 0.0003899000000000, 0.0000814200000000, 0.0003044100000000 ] - [ 0.0057573800000000, -0.0001600300000000, 0.0000933400000000 ] - [ 0.0011617300000000, -0.0002032000000000, 0.0001588700000000 ] - [ 0.0040468500000000, 0.0002080800000000, -0.0002031500000000 ] - [ 0.0095650900000000, -0.0002886300000000, 0.0001129600000000 ] - [ -0.0000686000000000, 0.0031401200000000, 0.0022454200000000 ] - [ 0.0000823600000000, -0.0004386400000000, 0.0008329300000000 ] - [ 0.0005544700000000, -0.0002559800000000, 0.0003908200000000 ] - [ 0.0002235000000000, -0.0004929100000000, 0.0002242700000000 ] - [ 0.0037793300000000, -0.0031367300000000, 0.0025312000000000 ] - [ 0.0021425600000000, 0.0039520700000000, 0.0026444400000000 ] - [ 0.0138422200000000, -0.0107994400000000, -0.0039669700000000 ] - [ 0.0019218100000000, 0.0035330500000000, -0.0018660800000000 ] - [ 0.0004362200000000, -0.0022064600000000, 0.0027672000000000 ] - [ 0.0001347100000000, -0.0000048300000000, 0.0004181100000000 ] - [ 0.0071312700000000, 0.0001786400000000, -0.0000268000000000 ] - [ 0.0010787200000000, 0.0001750300000000, -0.0001707600000000 ] - [ 0.0004909900000000, 0.0000251300000000, 0.0000246100000000 ] - [ 0.0006952300000000, 0.0002188800000000, 0.0000842700000000 ] - [ -0.0240502100000000, -0.0078145900000000, -0.0120174000000000 ] - [ -0.0005263000000000, -0.0018562400000000, 0.0005012800000000 ] - [ -0.0000813200000000, -0.0001425200000000, 0.0003899200000000 ] - [ 0.0000861600000000, 0.0010250200000000, 0.0023712500000000 ]- atom: 3 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0001398400000000, -0.0000753400000000, -0.0021128500000000 ] - [ 0.0001515600000000, 0.0006198100000000, 0.0012244500000000 ] - [ 0.0046855900000000, -0.1396491800000000, -0.0220112400000000 ] - [ -0.0000543300000000, 0.0137967700000000, 0.0006724600000000 ] - [ 0.0000873900000000, 0.0066746100000000, 0.0103028400000000 ] - [ 0.0005230500000000, 0.0073728300000000, -0.0130279300000000 ] - [ 0.0000128400000000, -0.0016274200000000, 0.0000555000000000 ] - [ -0.0000241500000000, 0.0011761800000000, -0.0002404900000000 ] - [ 0.0001702700000000, 0.0006523100000000, -0.0028520300000000 ] - [ -0.0001679300000000, -0.0002216300000000, 0.0018855400000000 ] - [ -0.0004136800000000, -0.0166387600000000, -0.0044384400000000 ] - [ -0.0000365700000000, 0.0078306600000000, 0.0000476700000000 ] - [ -0.0000043900000000, 0.0039359600000000, 0.0064005000000000 ] - [ -0.0005727500000000, 0.0039593600000000, -0.0045778300000000 ] - [ -0.0000416700000000, -0.0011727400000000, -0.0001118800000000 ] - [ -0.0000155800000000, 0.0010240100000000, -0.0000241000000000 ] - [ -0.0001096200000000, 0.0003047000000000, 0.0012527400000000 ] - [ 0.0006214600000000, -0.0001701000000000, -0.0013518600000000 ] - [ -0.0029539200000000, -0.0233478600000000, -0.0004928400000000 ] - [ -0.0001989800000000, 0.0073303500000000, 0.0004079000000000 ] - [ -0.0002364400000000, -0.0118025500000000, 0.0045311100000000 ] - [ 0.0006115600000000, 0.0054608500000000, -0.0009730500000000 ] - [ 0.0291293600000000, 0.0237337700000000, -0.0078363400000000 ] - [ -0.0234704400000000, 0.0252109200000000, 0.0078334200000000 ] - [ 0.0028986400000000, -0.0234407900000000, -0.0012071300000000 ] - [ -0.0000703300000000, 0.0072613500000000, 0.0007167200000000 ] - [ 0.0002689200000000, -0.0002690000000000, 0.0010035500000000 ] - [ -0.0006182200000000, -0.0000081400000000, -0.0013972900000000 ] - [ -0.0290568200000000, 0.0228375800000000, -0.0056871500000000 ] - [ 0.0233801300000000, 0.0235204900000000, 0.0069650200000000 ] - [ 0.0002668200000000, -0.0121720500000000, 0.0041493000000000 ] - [ -0.0007405600000000, 0.0055272300000000, -0.0010885200000000 ] - [ 0.0002506200000000, 0.0004590400000000, -0.0000452100000000 ] - [ -0.0000140700000000, -0.0006980700000000, 0.0002058600000000 ] - [ -0.0003508800000000, 0.0031378500000000, -0.0019417400000000 ] - [ 0.0001725900000000, -0.0028581900000000, 0.0013644600000000 ] - [ -0.0000363600000000, 0.0047491900000000, 0.0027541900000000 ] - [ 0.0001010100000000, -0.0018575000000000, -0.0002218400000000 ] - [ -0.0002098700000000, 0.0359463200000000, -0.0060239600000000 ] - [ -0.0004737500000000, -0.0164794400000000, -0.0007813700000000 ] - [ -0.0001228200000000, -0.0004569300000000, -0.0000482200000000 ] - [ -0.0000771700000000, 0.0004058800000000, 0.0004879700000000 ] - [ 0.0008910900000000, -0.0061916600000000, -0.0039727000000000 ] - [ -0.0054033100000000, 0.0110231900000000, 0.0075194700000000 ] - [ -0.0001633700000000, 0.0028678100000000, 0.0008915500000000 ] - [ 0.0005620000000000, -0.0011866700000000, -0.0000749900000000 ] - [ -0.0003450000000000, -0.0016930700000000, 0.0006754100000000 ] - [ 0.0003109800000000, 0.0011256700000000, -0.0011923000000000 ] - [ -0.0097006600000000, 0.0157154400000000, 0.0071084100000000 ] - [ -0.0003840900000000, -0.0077470900000000, 0.0018123500000000 ] - [ -0.0003708800000000, 0.0138478100000000, 0.0074307600000000 ] - [ -0.0000555900000000, -0.0037717300000000, 0.0001676800000000 ] - [ -0.0002056600000000, 0.0000282300000000, -0.0015841600000000 ] - [ -0.0001682900000000, -0.0006962800000000, 0.0014670200000000 ] - [ 0.0002638500000000, 0.0017935600000000, -0.0006952500000000 ] - [ -0.0000606000000000, -0.0009162500000000, 0.0001026800000000 ] - [ -0.0114670700000000, 0.0046091500000000, -0.0046466700000000 ] - [ 0.0012862700000000, -0.0051729500000000, 0.0016302700000000 ] - [ -0.0030017000000000, 0.0063742200000000, 0.0061852900000000 ] - [ 0.0017606000000000, -0.0053035900000000, -0.0041848000000000 ] - [ 0.0000513200000000, 0.0025531000000000, 0.0012397300000000 ] - [ -0.0006407900000000, -0.0011772100000000, -0.0001207000000000 ] - [ -0.0007031500000000, -0.0060594000000000, -0.0034800700000000 ] - [ 0.0036842200000000, 0.0124398000000000, 0.0074768800000000 ] - [ -0.0000350700000000, -0.0004572000000000, 0.0003716700000000 ] - [ -0.0000513500000000, 0.0004157700000000, -0.0000283700000000 ] - [ 0.0001577700000000, 0.0024763200000000, -0.0005495200000000 ] - [ 0.0001820900000000, -0.0020327300000000, 0.0005379200000000 ] - [ 0.0000589900000000, -0.0052892400000000, -0.0018301300000000 ] - [ 0.0001763300000000, 0.0007764200000000, -0.0000449100000000 ] - [ 0.0003478700000000, 0.0035369700000000, -0.0020714100000000 ] - [ -0.0000328100000000, -0.0031451400000000, 0.0015469900000000 ] - [ -0.0000477900000000, 0.0007819100000000, -0.0004061100000000 ] - [ 0.0002312300000000, -0.0009492000000000, 0.0003570800000000 ] - [ 0.0031435700000000, 0.0061385300000000, 0.0060324300000000 ] - [ -0.0017470300000000, -0.0052254300000000, -0.0040463700000000 ] - [ 0.0107909100000000, 0.0049107700000000, -0.0049801500000000 ] - [ -0.0011284200000000, -0.0050722700000000, 0.0018786500000000 ] - [ -0.0002764800000000, 0.0021077600000000, -0.0005659000000000 ] - [ 0.0002907200000000, -0.0010624500000000, -0.0002637600000000 ] - [ 0.0007158700000000, 0.0057640300000000, 0.0011272900000000 ] - [ 0.0002650200000000, -0.0033280300000000, -0.0008548200000000 ] - [ -0.0000052600000000, -0.0002643800000000, -0.0004688400000000 ] - [ -0.0000012100000000, 0.0002583600000000, 0.0002581100000000 ] - [ 0.0074247600000000, 0.0151823200000000, 0.0044211500000000 ] - [ 0.0005199300000000, -0.0077287900000000, 0.0023854600000000 ] - [ -0.0001161500000000, -0.0011122600000000, 0.0001601300000000 ] - [ -0.0001243200000000, 0.0008734900000000, -0.0004903800000000 ]- atom: 3 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0001017900000000, -0.0001122100000000, 0.0022207100000000 ] - [ -0.0001838600000000, -0.0007545300000000, -0.0011143700000000 ] - [ -0.0045375200000000, 0.1379383600000000, 0.0230318600000000 ] - [ 0.0002480100000000, -0.0133422800000000, -0.0003827000000000 ] - [ 0.0000266700000000, -0.0066893400000000, -0.0102971700000000 ] - [ -0.0004061600000000, -0.0073970100000000, 0.0129932000000000 ] - [ -0.0000915400000000, 0.0011852700000000, -0.0003355200000000 ] - [ -0.0000545100000000, -0.0016056300000000, -0.0000431000000000 ] - [ -0.0000893600000000, -0.0010977000000000, 0.0031057100000000 ] - [ 0.0002439400000000, -0.0001875500000000, -0.0016016900000000 ] - [ 0.0002840200000000, 0.0165093300000000, 0.0045253700000000 ] - [ -0.0000780600000000, -0.0078223100000000, 0.0000706800000000 ] - [ -0.0001856300000000, -0.0034880300000000, -0.0066273400000000 ] - [ 0.0003800600000000, -0.0034646900000000, 0.0042993600000000 ] - [ 0.0000780100000000, 0.0010111200000000, 0.0000036800000000 ] - [ 0.0000505900000000, -0.0011789500000000, -0.0000944600000000 ] - [ 0.0004241800000000, -0.0003585900000000, -0.0012644000000000 ] - [ -0.0003038100000000, 0.0001397300000000, 0.0013246100000000 ] - [ 0.0028937900000000, 0.0231301500000000, 0.0002900500000000 ] - [ 0.0000219700000000, -0.0074290000000000, -0.0004696300000000 ] - [ 0.0003597000000000, 0.0113692800000000, -0.0042844400000000 ] - [ -0.0004350200000000, -0.0058078100000000, 0.0011024300000000 ] - [ -0.0286259300000000, -0.0233118200000000, 0.0073294600000000 ] - [ 0.0239125900000000, -0.0250966400000000, -0.0083639400000000 ] - [ -0.0031107200000000, 0.0235423300000000, 0.0014996800000000 ] - [ -0.0000336900000000, -0.0070432400000000, -0.0002740200000000 ] - [ -0.0004362000000000, -0.0001051000000000, -0.0011590000000000 ] - [ 0.0004464700000000, -0.0003383800000000, 0.0012268900000000 ] - [ 0.0288353000000000, -0.0227421800000000, 0.0057057700000000 ] - [ -0.0235348500000000, -0.0237146600000000, -0.0069663000000000 ] - [ -0.0005266400000000, 0.0120485400000000, -0.0040385200000000 ] - [ 0.0004166800000000, -0.0055550100000000, 0.0010714500000000 ] - [ 0.0000077600000000, -0.0007301900000000, 0.0001254800000000 ] - [ 0.0002714500000000, 0.0004147800000000, -0.0001174600000000 ] - [ 0.0004304500000000, -0.0028421900000000, 0.0018218400000000 ] - [ -0.0000792900000000, 0.0030950500000000, -0.0014733400000000 ] - [ 0.0000829100000000, -0.0046717200000000, -0.0026954600000000 ] - [ -0.0000554800000000, 0.0018756500000000, 0.0003419600000000 ] - [ -0.0003169800000000, -0.0331955600000000, 0.0057814600000000 ] - [ -0.0000262400000000, 0.0166914200000000, 0.0011812300000000 ] - [ -0.0000186800000000, 0.0004819300000000, 0.0004167600000000 ] - [ -0.0000656600000000, -0.0003878000000000, -0.0001155400000000 ] - [ -0.0010286900000000, 0.0063116600000000, 0.0036556300000000 ] - [ 0.0049142800000000, -0.0112864700000000, -0.0074934800000000 ] - [ 0.0002558000000000, -0.0025913000000000, -0.0003825300000000 ] - [ -0.0004696200000000, 0.0014719400000000, 0.0005591700000000 ] - [ 0.0001831200000000, 0.0014878200000000, -0.0005957400000000 ] - [ -0.0004748200000000, -0.0013517000000000, 0.0012426400000000 ] - [ 0.0100646400000000, -0.0155002300000000, -0.0073941300000000 ] - [ 0.0004153300000000, 0.0080150400000000, -0.0018192700000000 ] - [ 0.0002976300000000, -0.0138495400000000, -0.0072782000000000 ] - [ -0.0000087600000000, 0.0037461200000000, -0.0000643300000000 ] - [ -0.0001437100000000, -0.0003067300000000, 0.0012202000000000 ] - [ -0.0001813000000000, 0.0004018000000000, -0.0018211600000000 ] - [ -0.0001062800000000, -0.0016869700000000, 0.0005651300000000 ] - [ 0.0002082800000000, 0.0009906100000000, -0.0002096900000000 ] - [ 0.0112450300000000, -0.0044867100000000, 0.0046918500000000 ] - [ -0.0014668500000000, 0.0051201300000000, -0.0015581800000000 ] - [ 0.0031487400000000, -0.0061426400000000, -0.0066279300000000 ] - [ -0.0015875300000000, 0.0054534800000000, 0.0036880000000000 ] - [ -0.0002304300000000, -0.0023947000000000, -0.0007254500000000 ] - [ 0.0004638700000000, 0.0013452100000000, 0.0006101000000000 ] - [ 0.0008515600000000, 0.0059998000000000, 0.0033601400000000 ] - [ -0.0031440300000000, -0.0129288500000000, -0.0071833800000000 ] - [ -0.0001144000000000, 0.0005430700000000, -0.0002487400000000 ] - [ -0.0000977300000000, -0.0003330500000000, 0.0001459500000000 ] - [ 0.0001914000000000, -0.0027473500000000, 0.0008880000000000 ] - [ 0.0001672400000000, 0.0017430100000000, -0.0001691300000000 ] - [ 0.0000077500000000, 0.0052620900000000, 0.0016770300000000 ] - [ -0.0001130400000000, -0.0008038600000000, -0.0000791900000000 ] - [ -0.0003765800000000, -0.0032100100000000, 0.0020893300000000 ] - [ -0.0000087800000000, 0.0034084200000000, -0.0015146600000000 ] - [ 0.0002104500000000, -0.0009861500000000, 0.0003354000000000 ] - [ -0.0000665000000000, 0.0007280200000000, -0.0004198800000000 ] - [ -0.0032036100000000, -0.0057892500000000, -0.0064709400000000 ] - [ 0.0016585700000000, 0.0054892600000000, 0.0035535600000000 ] - [ -0.0105721900000000, -0.0046230700000000, 0.0052185500000000 ] - [ 0.0012973100000000, 0.0051997400000000, -0.0016108800000000 ] - [ 0.0004083800000000, -0.0020622300000000, 0.0001828600000000 ] - [ -0.0001455200000000, 0.0010722800000000, -0.0000967600000000 ] - [ -0.0002122700000000, -0.0057080900000000, -0.0015064200000000 ] - [ 0.0002375000000000, 0.0033578100000000, 0.0004739800000000 ] - [ -0.0000403400000000, 0.0002918100000000, 0.0003639000000000 ] - [ -0.0000442500000000, -0.0002360700000000, -0.0003601000000000 ] - [ -0.0078301000000000, -0.0150283900000000, -0.0045527900000000 ] - [ -0.0006020500000000, 0.0079670200000000, -0.0022512300000000 ] - [ -0.0001441800000000, 0.0008414800000000, -0.0002335100000000 ] - [ -0.0001338400000000, -0.0011570900000000, 0.0003950200000000 ]- atom: 3 displacement: [ -0.0014701282124378, 0.0000000000000000, 0.0098913458659069 ] forces: - [ -0.0000252100000000, -0.0057297800000000, 0.0067605800000000 ] - [ 0.0008934800000000, 0.0028239400000000, 0.0046003300000000 ] - [ 0.0229677900000000, -0.0225417900000000, -0.1533477300000000 ] - [ 0.0004169500000000, 0.0007600000000000, -0.0040339000000000 ] - [ 0.0004093300000000, 0.0154814100000000, 0.0040152300000000 ] - [ 0.0011240400000000, -0.0144190100000000, 0.0078555400000000 ] - [ -0.0001854300000000, 0.0009983100000000, 0.0075690100000000 ] - [ -0.0002720800000000, -0.0004072600000000, 0.0031649900000000 ] - [ -0.0000933300000000, -0.0033302900000000, 0.0032183000000000 ] - [ -0.0010116700000000, 0.0026059400000000, 0.0037233600000000 ] - [ -0.0061756200000000, -0.0068822300000000, -0.0140954800000000 ] - [ -0.0005520500000000, 0.0010385300000000, -0.0026487000000000 ] - [ -0.0009351600000000, 0.0045424700000000, -0.0025367700000000 ] - [ -0.0006666400000000, -0.0062102500000000, -0.0024761700000000 ] - [ 0.0005717900000000, 0.0007033100000000, 0.0059376600000000 ] - [ 0.0003046100000000, -0.0000725600000000, 0.0030406800000000 ] - [ -0.0004168400000000, 0.0014333400000000, 0.0074478700000000 ] - [ -0.0013132100000000, -0.0030785100000000, 0.0068476100000000 ] - [ -0.0331663000000000, 0.0000121400000000, 0.0267401800000000 ] - [ -0.0006335000000000, -0.0002660300000000, -0.0023927100000000 ] - [ -0.0127275900000000, -0.0021277000000000, 0.0194349100000000 ] - [ 0.0001207300000000, -0.0001135800000000, 0.0006363600000000 ] - [ -0.0078792500000000, -0.0082967500000000, -0.0116965900000000 ] - [ -0.0068737000000000, 0.0216501800000000, -0.0188355800000000 ] - [ 0.0294579200000000, -0.0010618500000000, 0.0212375600000000 ] - [ 0.0006551900000000, 0.0001086800000000, -0.0023414400000000 ] - [ 0.0004975200000000, 0.0010838800000000, 0.0060923700000000 ] - [ 0.0011646500000000, -0.0026447900000000, 0.0054913500000000 ] - [ 0.0073624000000000, -0.0012002400000000, -0.0137940300000000 ] - [ 0.0032275700000000, 0.0093947500000000, -0.0205687400000000 ] - [ 0.0131364600000000, -0.0010237000000000, 0.0151928300000000 ] - [ -0.0001642900000000, 0.0002395000000000, 0.0000399600000000 ] - [ 0.0004489200000000, 0.0003281000000000, -0.0038443700000000 ] - [ 0.0003010900000000, 0.0006624000000000, -0.0029187700000000 ] - [ 0.0028697100000000, -0.0055259700000000, -0.0038608900000000 ] - [ 0.0005932900000000, 0.0021314000000000, -0.0011163100000000 ] - [ -0.0007885400000000, 0.0035256800000000, -0.0143982500000000 ] - [ -0.0002401800000000, -0.0002916800000000, -0.0001395700000000 ] - [ -0.0025484900000000, -0.0042387200000000, 0.0101337400000000 ] - [ -0.0021095000000000, -0.0041030200000000, 0.0055180100000000 ] - [ 0.0001189200000000, 0.0001702300000000, -0.0034603300000000 ] - [ 0.0001223900000000, -0.0004202700000000, -0.0038251200000000 ] - [ -0.0000821600000000, -0.0004724700000000, 0.0037769800000000 ] - [ 0.0025226000000000, 0.0070041900000000, 0.0119112900000000 ] - [ 0.0008622300000000, 0.0049222300000000, -0.0069576600000000 ] - [ 0.0011397000000000, -0.0011678500000000, -0.0010592200000000 ] - [ 0.0001793000000000, 0.0013450300000000, -0.0003792000000000 ] - [ 0.0003614200000000, -0.0042978900000000, -0.0042569900000000 ] - [ -0.0180092200000000, 0.0044739600000000, 0.0265959800000000 ] - [ 0.0000641200000000, 0.0003491800000000, 0.0010787300000000 ] - [ -0.0023140100000000, 0.0092735900000000, 0.0379753000000000 ] - [ -0.0001306300000000, 0.0017470900000000, 0.0021075100000000 ] - [ -0.0001487100000000, -0.0006578500000000, -0.0037621800000000 ] - [ -0.0001745800000000, 0.0014041900000000, -0.0028318600000000 ] - [ 0.0014501700000000, 0.0023850400000000, -0.0065895100000000 ] - [ 0.0000102400000000, -0.0008627600000000, -0.0022741700000000 ] - [ -0.0047220100000000, -0.0041010100000000, 0.0126234800000000 ] - [ 0.0007823900000000, -0.0016375700000000, 0.0061318400000000 ] - [ 0.0029464500000000, 0.0060821600000000, 0.0014082100000000 ] - [ 0.0007362300000000, -0.0017112800000000, -0.0003820300000000 ] - [ -0.0008052100000000, 0.0042863600000000, -0.0060954900000000 ] - [ -0.0012061700000000, -0.0015251200000000, -0.0009540000000000 ] - [ -0.0001001300000000, -0.0004386100000000, 0.0039915200000000 ] - [ -0.0029052900000000, 0.0047491400000000, 0.0139080400000000 ] - [ -0.0000763800000000, -0.0000930900000000, -0.0033943800000000 ] - [ -0.0001695100000000, -0.0004411200000000, -0.0041056800000000 ] - [ 0.0009985100000000, -0.0009039600000000, -0.0009856000000000 ] - [ 0.0004060100000000, 0.0003083400000000, 0.0005798300000000 ] - [ 0.0004790800000000, -0.0016949000000000, 0.0040901700000000 ] - [ 0.0018079300000000, -0.0013585200000000, 0.0073417300000000 ] - [ -0.0029933100000000, -0.0047717700000000, -0.0027531700000000 ] - [ -0.0007428300000000, 0.0022441300000000, -0.0008335600000000 ] - [ -0.0005794100000000, 0.0007311900000000, -0.0025739000000000 ] - [ -0.0003438600000000, 0.0013622500000000, -0.0015376200000000 ] - [ -0.0016965100000000, 0.0051424800000000, 0.0026672500000000 ] - [ 0.0001390700000000, -0.0005005800000000, 0.0009807500000000 ] - [ 0.0089689500000000, -0.0076295300000000, 0.0105917800000000 ] - [ -0.0002280500000000, -0.0005677100000000, 0.0051661500000000 ] - [ -0.0015169900000000, 0.0021513300000000, -0.0046017900000000 ] - [ 0.0002483200000000, -0.0010720100000000, -0.0014818500000000 ] - [ 0.0009981900000000, 0.0025889000000000, 0.0009193600000000 ] - [ 0.0002605500000000, -0.0007793000000000, 0.0005351500000000 ] - [ -0.0000425000000000, -0.0009484500000000, -0.0018856400000000 ] - [ 0.0000932300000000, -0.0001683900000000, -0.0022151100000000 ] - [ 0.0068300700000000, 0.0009911300000000, 0.0193756700000000 ] - [ -0.0002862300000000, -0.0001977200000000, 0.0014267100000000 ] - [ -0.0004198900000000, 0.0011383800000000, -0.0012634300000000 ] - [ -0.0005773200000000, -0.0023891300000000, -0.0043763400000000 ]- atom: 3 displacement: [ 0.0014701282124378, 0.0000000000000000, -0.0098913458659069 ] forces: - [ -0.0000105600000000, 0.0056203100000000, -0.0066666900000000 ] - [ -0.0009349200000000, -0.0030007500000000, -0.0044777300000000 ] - [ -0.0233043300000000, 0.0234065100000000, 0.1507654400000000 ] - [ -0.0002267800000000, -0.0003281700000000, 0.0042803900000000 ] - [ -0.0002882400000000, -0.0153729800000000, -0.0041136600000000 ] - [ -0.0009973900000000, 0.0142390800000000, -0.0079239500000000 ] - [ 0.0001107900000000, -0.0014337100000000, -0.0078436800000000 ] - [ 0.0001964000000000, -0.0000259400000000, -0.0034424500000000 ] - [ 0.0001771000000000, 0.0029072500000000, -0.0029185000000000 ] - [ 0.0010987500000000, -0.0030500900000000, -0.0034213400000000 ] - [ 0.0061043500000000, 0.0068662300000000, 0.0142519000000000 ] - [ 0.0004394000000000, -0.0010766200000000, 0.0027670500000000 ] - [ 0.0007389600000000, -0.0040981200000000, 0.0021997900000000 ] - [ 0.0004739300000000, 0.0066495300000000, 0.0021808400000000 ] - [ -0.0005412400000000, -0.0008654700000000, -0.0060477900000000 ] - [ -0.0002716800000000, -0.0000819400000000, -0.0031450500000000 ] - [ 0.0007315500000000, -0.0014632400000000, -0.0074625700000000 ] - [ 0.0016231500000000, 0.0030061800000000, -0.0068624100000000 ] - [ 0.0324610700000000, -0.0001689300000000, -0.0265230200000000 ] - [ 0.0004571000000000, 0.0001201600000000, 0.0022650700000000 ] - [ 0.0130936000000000, 0.0017295800000000, -0.0193728200000000 ] - [ 0.0000483000000000, -0.0002469200000000, -0.0004385200000000 ] - [ 0.0078452900000000, 0.0084038000000000, 0.0113833300000000 ] - [ 0.0069388900000000, -0.0214635100000000, 0.0184836900000000 ] - [ -0.0291558200000000, 0.0012038100000000, -0.0206676100000000 ] - [ -0.0007595500000000, 0.0000608300000000, 0.0027239800000000 ] - [ -0.0006662400000000, -0.0014319800000000, -0.0062462900000000 ] - [ -0.0013317400000000, 0.0022606500000000, -0.0056534300000000 ] - [ -0.0070284300000000, 0.0009446600000000, 0.0139253000000000 ] - [ -0.0029761500000000, -0.0094026000000000, 0.0206435700000000 ] - [ -0.0136319500000000, 0.0009190200000000, -0.0151435200000000 ] - [ -0.0001510100000000, -0.0002829800000000, 0.0000237400000000 ] - [ -0.0001884100000000, -0.0006071500000000, 0.0039329000000000 ] - [ -0.0000421700000000, -0.0009346600000000, 0.0029977600000000 ] - [ -0.0027463100000000, 0.0057619500000000, 0.0037442500000000 ] - [ -0.0004985400000000, -0.0018514100000000, 0.0010193700000000 ] - [ 0.0008634100000000, -0.0035462500000000, 0.0146756700000000 ] - [ 0.0002881800000000, 0.0003206400000000, 0.0002301200000000 ] - [ 0.0020369000000000, 0.0044276000000000, -0.0097666900000000 ] - [ 0.0016199400000000, 0.0041129200000000, -0.0051580500000000 ] - [ -0.0002625800000000, -0.0001576000000000, 0.0038364700000000 ] - [ -0.0002619400000000, 0.0004496000000000, 0.0041934300000000 ] - [ -0.0000766700000000, 0.0006435400000000, -0.0040111000000000 ] - [ -0.0029317000000000, -0.0070398000000000, -0.0118376200000000 ] - [ -0.0007564200000000, -0.0046069300000000, 0.0074279400000000 ] - [ -0.0010381500000000, 0.0014318500000000, 0.0015647200000000 ] - [ -0.0003482600000000, -0.0015745200000000, 0.0004336800000000 ] - [ -0.0005391100000000, 0.0041030200000000, 0.0043294100000000 ] - [ 0.0193050500000000, -0.0047832300000000, -0.0274477500000000 ] - [ -0.0000201000000000, -0.0000178000000000, -0.0011191000000000 ] - [ 0.0022073300000000, -0.0084498800000000, -0.0353780200000000 ] - [ 0.0000667400000000, -0.0017434200000000, -0.0019671700000000 ] - [ -0.0002025200000000, 0.0003658700000000, 0.0034022000000000 ] - [ -0.0001756600000000, -0.0016834200000000, 0.0024729500000000 ] - [ -0.0013149500000000, -0.0023075300000000, 0.0064755600000000 ] - [ 0.0001389500000000, 0.0009544000000000, 0.0021446100000000 ] - [ 0.0046272800000000, 0.0041071500000000, -0.0124336400000000 ] - [ -0.0009474400000000, 0.0016146400000000, -0.0060486600000000 ] - [ -0.0028016200000000, -0.0059736500000000, -0.0019506000000000 ] - [ -0.0005617200000000, 0.0018782300000000, -0.0001315700000000 ] - [ 0.0006139500000000, -0.0040950800000000, 0.0065776000000000 ] - [ 0.0010187000000000, 0.0016738300000000, 0.0014604300000000 ] - [ 0.0002681300000000, 0.0004277800000000, -0.0040322600000000 ] - [ 0.0032051600000000, -0.0048773800000000, -0.0137615100000000 ] - [ -0.0000738000000000, 0.0001752800000000, 0.0035055200000000 ] - [ 0.0000178800000000, 0.0005313900000000, 0.0042178400000000 ] - [ -0.0006652300000000, 0.0006298000000000, 0.0013002200000000 ] - [ -0.0000586300000000, -0.0006002100000000, -0.0002361600000000 ] - [ -0.0004152800000000, 0.0017037300000000, -0.0042002400000000 ] - [ -0.0017571400000000, 0.0013510100000000, -0.0074425500000000 ] - [ 0.0029209100000000, 0.0050433300000000, 0.0027787800000000 ] - [ 0.0006983700000000, -0.0019363300000000, 0.0008726600000000 ] - [ 0.0007409700000000, -0.0009470800000000, 0.0025063000000000 ] - [ 0.0005053300000000, -0.0015686200000000, 0.0014675900000000 ] - [ 0.0016067200000000, -0.0048847000000000, -0.0032147400000000 ] - [ -0.0002342200000000, 0.0007726900000000, -0.0014933800000000 ] - [ -0.0088640200000000, 0.0077930300000000, -0.0101607800000000 ] - [ 0.0003807600000000, 0.0007162700000000, -0.0048733800000000 ] - [ 0.0016753500000000, -0.0021268400000000, 0.0042199200000000 ] - [ -0.0001056000000000, 0.0011000600000000, 0.0010963200000000 ] - [ -0.0004836300000000, -0.0025303200000000, -0.0012577500000000 ] - [ 0.0002414500000000, 0.0008315700000000, -0.0008969500000000 ] - [ -0.0000014000000000, 0.0009666600000000, 0.0017800200000000 ] - [ -0.0001370200000000, 0.0001988300000000, 0.0021105000000000 ] - [ -0.0074853200000000, -0.0009800700000000, -0.0195939900000000 ] - [ 0.0001903500000000, 0.0005021600000000, -0.0013305700000000 ] - [ 0.0001659900000000, -0.0014271100000000, 0.0011640300000000 ] - [ 0.0003292000000000, 0.0021185400000000, 0.0042823900000000 ]- atom: 5 displacement: [ 0.0099999999959232, 0.0000000000000000, 0.0000002855446085 ] forces: - [ -0.0003341100000000, 0.0002702700000000, -0.0012194900000000 ] - [ -0.0002946500000000, -0.0001268900000000, -0.0003666800000000 ] - [ -0.0030149900000000, 0.0002748400000000, 0.0000660200000000 ] - [ -0.0103700700000000, 0.0006886200000000, -0.0003366800000000 ] - [ -0.1424915100000000, -0.0012090900000000, -0.0024381000000000 ] - [ -0.0029135300000000, -0.0000406400000000, -0.0000624700000000 ] - [ -0.0025967600000000, 0.0000231900000000, -0.0001719100000000 ] - [ -0.0056550400000000, -0.0002840300000000, 0.0001002700000000 ] - [ 0.0005605300000000, -0.0004568200000000, 0.0010825500000000 ] - [ 0.0003373100000000, -0.0002589400000000, 0.0004524300000000 ] - [ 0.0034568600000000, -0.0001108000000000, -0.0000716100000000 ] - [ 0.0034564200000000, 0.0000457200000000, 0.0000390800000000 ] - [ 0.0337757600000000, 0.0005825500000000, -0.0013679600000000 ] - [ 0.0029132800000000, 0.0002067600000000, -0.0001901200000000 ] - [ 0.0024398500000000, -0.0002230800000000, 0.0002960700000000 ] - [ 0.0026530900000000, -0.0003340000000000, 0.0000095400000000 ] - [ 0.0117101500000000, 0.0028612300000000, -0.0337171200000000 ] - [ 0.0003561100000000, -0.0003780100000000, -0.0020766600000000 ] - [ 0.0014589600000000, 0.0246197600000000, 0.0050240900000000 ] - [ 0.0149476400000000, -0.0317234400000000, 0.0029259700000000 ] - [ -0.0003915600000000, -0.0008019800000000, -0.0006399500000000 ] - [ -0.0000996700000000, 0.0001196100000000, -0.0010757900000000 ] - [ 0.0022942500000000, -0.0030541700000000, -0.0125067600000000 ] - [ 0.0000052000000000, 0.0006234400000000, -0.0014387100000000 ] - [ 0.0005867800000000, -0.0268093100000000, -0.0045986000000000 ] - [ 0.0150586800000000, 0.0337155600000000, -0.0009545700000000 ] - [ 0.0082883200000000, -0.0032719600000000, 0.0300603800000000 ] - [ 0.0000748100000000, -0.0000444200000000, 0.0017538400000000 ] - [ 0.0034313900000000, 0.0039870800000000, 0.0141751100000000 ] - [ -0.0000910700000000, -0.0006832300000000, 0.0012611600000000 ] - [ -0.0001627500000000, 0.0007171100000000, 0.0008072300000000 ] - [ 0.0001362600000000, -0.0006926100000000, 0.0010978800000000 ] - [ 0.0005158600000000, -0.0020891600000000, 0.0027674200000000 ] - [ 0.0001667300000000, 0.0002510700000000, 0.0008716800000000 ] - [ -0.0037329300000000, -0.0064510200000000, 0.0007487000000000 ] - [ -0.0009023500000000, 0.0045391200000000, 0.0007039600000000 ] - [ 0.0004469700000000, -0.0002671000000000, 0.0002486000000000 ] - [ 0.0005015600000000, -0.0000240400000000, 0.0001508600000000 ] - [ 0.0058486400000000, -0.0000711100000000, -0.0000130500000000 ] - [ 0.0004996400000000, -0.0001290900000000, 0.0002019900000000 ] - [ -0.0000142300000000, 0.0013831400000000, 0.0042724000000000 ] - [ -0.0000410800000000, 0.0001556200000000, 0.0007696700000000 ] - [ 0.0138165900000000, -0.0033478100000000, 0.0002686400000000 ] - [ 0.0013280900000000, -0.0015128800000000, -0.0016863700000000 ] - [ 0.0014709600000000, -0.0022805800000000, 0.0018189900000000 ] - [ 0.0081353300000000, 0.0023654600000000, 0.0013571600000000 ] - [ 0.0004999900000000, 0.0001609800000000, 0.0004703400000000 ] - [ 0.0001043000000000, 0.0001322100000000, 0.0001899700000000 ] - [ 0.0000695800000000, 0.0000283400000000, 0.0003576900000000 ] - [ 0.0001676400000000, -0.0017793900000000, 0.0029105400000000 ] - [ 0.0162615400000000, -0.0006286200000000, 0.0003446900000000 ] - [ 0.0079418300000000, -0.0000135500000000, 0.0000204200000000 ] - [ 0.0153614300000000, -0.0004318900000000, 0.0008749100000000 ] - [ 0.0013262700000000, -0.0000302400000000, -0.0001560200000000 ] - [ 0.0005848400000000, -0.0000032000000000, 0.0001260500000000 ] - [ 0.0001321200000000, -0.0001580300000000, 0.0001422900000000 ] - [ -0.0039235200000000, 0.0028875200000000, 0.0052398000000000 ] - [ -0.0010972400000000, -0.0024916000000000, 0.0018053200000000 ] - [ -0.0009573800000000, 0.0018849200000000, 0.0019508100000000 ] - [ -0.0001813300000000, 0.0001941700000000, 0.0001931400000000 ] - [ 0.0015069600000000, 0.0023151600000000, -0.0017458000000000 ] - [ 0.0110513000000000, 0.0001425900000000, 0.0005459400000000 ] - [ 0.0170466800000000, 0.0043546400000000, -0.0021762300000000 ] - [ 0.0016559900000000, 0.0016972100000000, 0.0018623700000000 ] - [ 0.0000211700000000, -0.0012140100000000, -0.0033363100000000 ] - [ -0.0000281800000000, -0.0000371000000000, -0.0006331200000000 ] - [ -0.0001395900000000, -0.0001717900000000, 0.0002134000000000 ] - [ -0.0003742200000000, -0.0002032500000000, 0.0001349100000000 ] - [ -0.0046172200000000, -0.0001292300000000, 0.0002509100000000 ] - [ -0.0008117300000000, 0.0000180500000000, -0.0000435700000000 ] - [ 0.0042700300000000, 0.0041688500000000, 0.0019929600000000 ] - [ -0.0008111400000000, -0.0040894500000000, -0.0007570000000000 ] - [ 0.0004281000000000, 0.0028577900000000, -0.0029390100000000 ] - [ -0.0003218100000000, -0.0006556300000000, -0.0011475800000000 ] - [ -0.0012735000000000, -0.0018343100000000, -0.0027641700000000 ] - [ -0.0003565600000000, 0.0001112800000000, -0.0006339600000000 ] - [ -0.0040256000000000, -0.0028858800000000, -0.0043125900000000 ] - [ -0.0010469900000000, 0.0028650800000000, -0.0018616300000000 ] - [ -0.0004211900000000, -0.0000026400000000, -0.0006478200000000 ] - [ -0.0002146100000000, 0.0003136000000000, -0.0005628400000000 ] - [ -0.0051892500000000, 0.0000591900000000, -0.0001394900000000 ] - [ -0.0110077300000000, -0.0002904100000000, -0.0002104100000000 ] - [ -0.0070919400000000, 0.0000291900000000, -0.0002106200000000 ] - [ -0.0013189600000000, 0.0000273500000000, -0.0000622400000000 ] - [ -0.0000522900000000, 0.0002230000000000, -0.0001908700000000 ] - [ 0.0002457900000000, 0.0021694700000000, -0.0030745000000000 ] - [ -0.0006789900000000, -0.0001037200000000, -0.0001481000000000 ] - [ -0.0003003000000000, -0.0002406000000000, -0.0002716900000000 ]- atom: 5 displacement: [ -0.0099999999959232, 0.0000000000000000, -0.0000002855446085 ] forces: - [ 0.0003058500000000, -0.0004332500000000, 0.0013249700000000 ] - [ 0.0002599000000000, -0.0000285100000000, 0.0004757600000000 ] - [ 0.0032000700000000, 0.0002138200000000, 0.0002846000000000 ] - [ 0.0105661700000000, -0.0002394600000000, 0.0006302400000000 ] - [ 0.1423494900000000, 0.0001235900000000, 0.0018352300000000 ] - [ 0.0030273600000000, 0.0000385800000000, -0.0000589500000000 ] - [ 0.0025115600000000, -0.0003948200000000, -0.0001445100000000 ] - [ 0.0055804600000000, -0.0001591500000000, -0.0003836100000000 ] - [ -0.0004865800000000, 0.0000199400000000, -0.0008090000000000 ] - [ -0.0002598500000000, -0.0001744400000000, -0.0001762100000000 ] - [ -0.0035730100000000, 0.0000619100000000, 0.0001655800000000 ] - [ -0.0035731800000000, -0.0000660400000000, 0.0000806800000000 ] - [ -0.0339155500000000, -0.0001151900000000, 0.0009873900000000 ] - [ -0.0031045900000000, 0.0002485100000000, -0.0000823400000000 ] - [ -0.0024016100000000, 0.0000613900000000, -0.0004083000000000 ] - [ -0.0026185700000000, 0.0001839100000000, -0.0001246800000000 ] - [ -0.0113026100000000, -0.0029296400000000, 0.0340396800000000 ] - [ -0.0000400800000000, 0.0003344300000000, 0.0020657700000000 ] - [ -0.0014705000000000, -0.0249761000000000, -0.0051565300000000 ] - [ -0.0151376000000000, 0.0318463200000000, -0.0030192200000000 ] - [ 0.0005560100000000, 0.0004397100000000, 0.0007891500000000 ] - [ 0.0002680000000000, -0.0004815100000000, 0.0012323600000000 ] - [ -0.0022272900000000, 0.0032462500000000, 0.0120437600000000 ] - [ 0.0001049800000000, -0.0004450300000000, 0.0010254600000000 ] - [ -0.0008533100000000, 0.0267489800000000, 0.0049702700000000 ] - [ -0.0151578500000000, -0.0332568500000000, 0.0013686200000000 ] - [ -0.0085741700000000, 0.0028971700000000, -0.0299331600000000 ] - [ -0.0002450200000000, -0.0003171700000000, -0.0019052500000000 ] - [ -0.0032191700000000, -0.0041145800000000, -0.0141386400000000 ] - [ 0.0002611200000000, 0.0005447700000000, -0.0011666600000000 ] - [ -0.0001454600000000, -0.0007662200000000, -0.0007956300000000 ] - [ -0.0004506400000000, 0.0006502000000000, -0.0010859000000000 ] - [ -0.0002858300000000, 0.0018120100000000, -0.0026854400000000 ] - [ 0.0000908700000000, -0.0005267800000000, -0.0007816000000000 ] - [ 0.0031603400000000, 0.0065371600000000, -0.0007322200000000 ] - [ 0.0009876700000000, -0.0042750200000000, -0.0008227200000000 ] - [ -0.0004036200000000, 0.0002897900000000, -0.0001459300000000 ] - [ -0.0004565400000000, 0.0000463600000000, -0.0000450700000000 ] - [ -0.0063505900000000, 0.0001246900000000, 0.0003390300000000 ] - [ -0.0010021200000000, 0.0001609300000000, 0.0001692900000000 ] - [ -0.0001429300000000, -0.0013672400000000, -0.0039090600000000 ] - [ -0.0001102700000000, -0.0001403300000000, -0.0003991400000000 ] - [ -0.0145706800000000, 0.0039366200000000, -0.0010286000000000 ] - [ -0.0015157900000000, 0.0016686500000000, 0.0014169100000000 ] - [ -0.0014012900000000, 0.0025661200000000, -0.0013284900000000 ] - [ -0.0083831200000000, -0.0017813300000000, -0.0006490700000000 ] - [ -0.0006625400000000, -0.0003705500000000, -0.0004011200000000 ] - [ -0.0002670800000000, -0.0003449000000000, -0.0001212200000000 ] - [ -0.0000170300000000, 0.0002703300000000, -0.0003808800000000 ] - [ -0.0001331800000000, 0.0020733100000000, -0.0029376900000000 ] - [ -0.0163445900000000, 0.0004905800000000, -0.0002207400000000 ] - [ -0.0080070000000000, 0.0000165300000000, 0.0000914500000000 ] - [ -0.0157228800000000, 0.0001088200000000, -0.0009841700000000 ] - [ -0.0016757600000000, -0.0002580900000000, -0.0002033700000000 ] - [ -0.0004333800000000, 0.0000883600000000, -0.0002259300000000 ] - [ 0.0000173500000000, 0.0002414400000000, -0.0002591100000000 ] - [ 0.0037566900000000, -0.0028671600000000, -0.0050928500000000 ] - [ 0.0009331400000000, 0.0024713400000000, -0.0017290200000000 ] - [ 0.0011371600000000, -0.0017157400000000, -0.0024381900000000 ] - [ 0.0003583900000000, -0.0000292400000000, -0.0006908800000000 ] - [ -0.0016629600000000, -0.0021467200000000, 0.0022345500000000 ] - [ -0.0109256300000000, 0.0003284000000000, 0.0002033600000000 ] - [ -0.0162649000000000, -0.0039069300000000, 0.0015734300000000 ] - [ -0.0014572300000000, -0.0017189300000000, -0.0019281800000000 ] - [ -0.0001560600000000, 0.0012937500000000, 0.0034482500000000 ] - [ -0.0001141500000000, 0.0001164100000000, 0.0007520900000000 ] - [ 0.0004903700000000, -0.0001127900000000, 0.0001517500000000 ] - [ 0.0007242500000000, -0.0000850000000000, 0.0002262700000000 ] - [ 0.0046801400000000, 0.0000977600000000, -0.0003488900000000 ] - [ 0.0008759400000000, -0.0000244200000000, -0.0000817000000000 ] - [ -0.0033477600000000, -0.0042034300000000, -0.0017320300000000 ] - [ 0.0007773800000000, 0.0043813400000000, 0.0007800400000000 ] - [ -0.0002388200000000, -0.0030668700000000, 0.0028551000000000 ] - [ 0.0004877800000000, 0.0004514600000000, 0.0010871400000000 ] - [ 0.0011787100000000, 0.0021216500000000, 0.0022796800000000 ] - [ 0.0002643500000000, 0.0001709500000000, 0.0001398700000000 ] - [ 0.0041822000000000, 0.0030911800000000, 0.0046461200000000 ] - [ 0.0012012800000000, -0.0027046000000000, 0.0021344600000000 ] - [ 0.0005621500000000, 0.0000255700000000, 0.0002792600000000 ] - [ 0.0003580000000000, -0.0002943000000000, 0.0001936700000000 ] - [ 0.0056897300000000, -0.0000132200000000, -0.0002413300000000 ] - [ 0.0115066100000000, 0.0002853000000000, -0.0001630000000000 ] - [ 0.0070438300000000, -0.0000067900000000, 0.0000687300000000 ] - [ 0.0012736000000000, -0.0000020700000000, -0.0000439500000000 ] - [ -0.0000489100000000, 0.0000470100000000, 0.0003053200000000 ] - [ -0.0003310900000000, -0.0019055000000000, 0.0031898000000000 ] - [ 0.0004202000000000, -0.0001721900000000, 0.0000647000000000 ] - [ 0.0000412600000000, -0.0000352100000000, 0.0001904000000000 ]- atom: 5 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0001603100000000, -0.0015909200000000, -0.0004123000000000 ] - [ -0.0000819700000000, 0.0013119000000000, -0.0000214500000000 ] - [ -0.0003976400000000, 0.0068899200000000, 0.0155853000000000 ] - [ 0.0001049300000000, 0.0075957600000000, -0.0144043200000000 ] - [ -0.0006909300000000, -0.1633268400000000, 0.0098951200000000 ] - [ 0.0000185700000000, 0.0142322700000000, 0.0005426400000000 ] - [ -0.0000201400000000, 0.0037026600000000, -0.0060111100000000 ] - [ -0.0001480500000000, 0.0025587000000000, 0.0079758100000000 ] - [ -0.0001200800000000, -0.0013751800000000, -0.0005015700000000 ] - [ 0.0001436500000000, 0.0010930500000000, 0.0002193400000000 ] - [ -0.0001139600000000, 0.0007987000000000, 0.0032287500000000 ] - [ 0.0000279200000000, 0.0007770700000000, -0.0030413500000000 ] - [ -0.0003974200000000, -0.0163294900000000, 0.0067804200000000 ] - [ 0.0000013600000000, 0.0080427200000000, -0.0011907900000000 ] - [ -0.0001409600000000, 0.0010242400000000, -0.0013257200000000 ] - [ 0.0001332400000000, -0.0008873300000000, 0.0016238600000000 ] - [ 0.0036980700000000, -0.0237828100000000, -0.0020875500000000 ] - [ 0.0005690800000000, 0.0071633400000000, 0.0002708400000000 ] - [ 0.0254420800000000, 0.0244318100000000, 0.0006511200000000 ] - [ -0.0266220200000000, 0.0303056800000000, -0.0046947700000000 ] - [ -0.0000199900000000, -0.0002278600000000, 0.0004772800000000 ] - [ 0.0001468100000000, -0.0002981000000000, -0.0008430700000000 ] - [ 0.0009025500000000, -0.0128106900000000, -0.0033102300000000 ] - [ -0.0001201600000000, 0.0067157800000000, -0.0000813900000000 ] - [ -0.0252826300000000, 0.0267247100000000, -0.0001954000000000 ] - [ 0.0284055400000000, 0.0336349000000000, -0.0026662700000000 ] - [ -0.0037626100000000, -0.0232229200000000, -0.0034842300000000 ] - [ -0.0004903500000000, 0.0072929600000000, 0.0004208600000000 ] - [ -0.0009921800000000, -0.0136643300000000, -0.0037392200000000 ] - [ 0.0003755300000000, 0.0067464100000000, 0.0003756700000000 ] - [ 0.0001007000000000, -0.0006152100000000, 0.0006981800000000 ] - [ -0.0003850900000000, 0.0005266700000000, -0.0013917300000000 ] - [ -0.0011326800000000, 0.0014638000000000, 0.0005523500000000 ] - [ 0.0005877700000000, -0.0018081300000000, -0.0002254700000000 ] - [ -0.0080273900000000, 0.0105388400000000, 0.0030578600000000 ] - [ 0.0013105200000000, -0.0075459900000000, -0.0022037800000000 ] - [ -0.0000760000000000, 0.0002371000000000, -0.0002967800000000 ] - [ 0.0000976100000000, -0.0002813500000000, 0.0004864900000000 ] - [ -0.0003592600000000, 0.0065989500000000, -0.0029419200000000 ] - [ -0.0002305700000000, -0.0040441100000000, 0.0011484800000000 ] - [ 0.0003906500000000, 0.0035681600000000, -0.0006145700000000 ] - [ -0.0006628000000000, -0.0016456900000000, 0.0004399700000000 ] - [ -0.0033212500000000, 0.0146597100000000, -0.0010472500000000 ] - [ -0.0013499500000000, -0.0068749200000000, -0.0030060400000000 ] - [ -0.0003529700000000, -0.0075791700000000, 0.0046252200000000 ] - [ 0.0031395300000000, 0.0119586100000000, -0.0038935600000000 ] - [ 0.0000740700000000, 0.0008680600000000, 0.0005461800000000 ] - [ -0.0001917600000000, -0.0009188600000000, -0.0002595400000000 ] - [ 0.0020275200000000, -0.0024633700000000, -0.0015579500000000 ] - [ -0.0014473400000000, 0.0020089400000000, 0.0028377400000000 ] - [ -0.0005021000000000, 0.0345944100000000, 0.0039573200000000 ] - [ 0.0002363700000000, -0.0144513100000000, 0.0035667100000000 ] - [ -0.0003111500000000, 0.0111579700000000, 0.0026351100000000 ] - [ -0.0001277100000000, -0.0035793200000000, -0.0007322200000000 ] - [ 0.0001645300000000, 0.0004237700000000, 0.0012595400000000 ] - [ -0.0000579100000000, -0.0007796600000000, -0.0012997400000000 ] - [ 0.0034589400000000, 0.0038447600000000, -0.0058073200000000 ] - [ -0.0014216300000000, -0.0046795900000000, 0.0032087600000000 ] - [ -0.0005150600000000, 0.0021491100000000, 0.0004438100000000 ] - [ 0.0003047000000000, -0.0010424900000000, -0.0003056000000000 ] - [ 0.0000150500000000, -0.0077339300000000, 0.0048044700000000 ] - [ -0.0015516500000000, 0.0131859000000000, -0.0031824000000000 ] - [ 0.0042882000000000, 0.0150127700000000, -0.0017788500000000 ] - [ 0.0013030500000000, -0.0069082500000000, -0.0026625100000000 ] - [ -0.0003490100000000, 0.0029730900000000, 0.0002300400000000 ] - [ 0.0003896300000000, -0.0014882600000000, 0.0000239900000000 ] - [ 0.0002003400000000, -0.0002650400000000, -0.0005382300000000 ] - [ 0.0001556800000000, 0.0000822700000000, 0.0008661400000000 ] - [ 0.0001053300000000, 0.0038890700000000, 0.0000025900000000 ] - [ 0.0000255500000000, -0.0025031300000000, -0.0001063100000000 ] - [ 0.0061162300000000, 0.0120577900000000, 0.0015264500000000 ] - [ -0.0012932500000000, -0.0077748800000000, -0.0019678800000000 ] - [ 0.0012510900000000, 0.0019975100000000, 0.0013320400000000 ] - [ -0.0005669800000000, -0.0028866900000000, -0.0010041300000000 ] - [ 0.0006509300000000, 0.0023788300000000, 0.0006759500000000 ] - [ -0.0002944600000000, -0.0010377100000000, -0.0002879400000000 ] - [ -0.0034672500000000, 0.0040286400000000, -0.0057359300000000 ] - [ 0.0014679600000000, -0.0047697100000000, 0.0036094700000000 ] - [ 0.0000039000000000, 0.0004037300000000, 0.0000457700000000 ] - [ 0.0001065000000000, -0.0004210500000000, 0.0000597500000000 ] - [ 0.0002392000000000, -0.0053503300000000, -0.0024586700000000 ] - [ -0.0000746700000000, 0.0024982500000000, 0.0009037400000000 ] - [ 0.0001278700000000, 0.0053070100000000, 0.0000399600000000 ] - [ -0.0001958800000000, -0.0018424700000000, 0.0000017500000000 ] - [ -0.0018151600000000, -0.0021917400000000, -0.0014660500000000 ] - [ 0.0012496000000000, 0.0017655400000000, 0.0029126400000000 ] - [ -0.0002025700000000, 0.0004443100000000, 0.0001698900000000 ] - [ -0.0000340900000000, -0.0006673000000000, 0.0000677300000000 ]- atom: 5 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0001945000000000, 0.0014369600000000, 0.0005154000000000 ] - [ 0.0000459300000000, -0.0014752100000000, 0.0001348100000000 ] - [ 0.0005934500000000, -0.0064745100000000, -0.0154606000000000 ] - [ 0.0000918500000000, -0.0071733900000000, 0.0145663300000000 ] - [ 0.0006467900000000, 0.1651702100000000, -0.0093203100000000 ] - [ 0.0000974200000000, -0.0142548400000000, -0.0006411700000000 ] - [ -0.0000557800000000, -0.0041013700000000, 0.0057613000000000 ] - [ 0.0000704400000000, -0.0030221700000000, -0.0082626400000000 ] - [ 0.0001977300000000, 0.0009429200000000, 0.0007761300000000 ] - [ -0.0000646700000000, -0.0015313700000000, 0.0000579700000000 ] - [ -0.0000016400000000, -0.0008123600000000, -0.0031327100000000 ] - [ -0.0001446600000000, -0.0008339700000000, 0.0031645400000000 ] - [ 0.0001957800000000, 0.0168184300000000, -0.0070304500000000 ] - [ -0.0001916300000000, -0.0076101000000000, 0.0009190200000000 ] - [ 0.0001738900000000, -0.0011626800000000, 0.0012143300000000 ] - [ -0.0000970400000000, 0.0007137000000000, -0.0017521200000000 ] - [ -0.0032684000000000, 0.0237756300000000, 0.0019279700000000 ] - [ -0.0002636600000000, -0.0072381700000000, -0.0002481200000000 ] - [ -0.0260165700000000, -0.0247989000000000, -0.0007423000000000 ] - [ 0.0260746300000000, -0.0302800500000000, 0.0046183700000000 ] - [ 0.0001891600000000, -0.0001157900000000, -0.0003296600000000 ] - [ 0.0000208800000000, -0.0000765100000000, 0.0010013200000000 ] - [ -0.0008283400000000, 0.0130398400000000, 0.0029483500000000 ] - [ 0.0002402600000000, -0.0065591900000000, -0.0003543700000000 ] - [ 0.0255970500000000, -0.0268049600000000, 0.0006233800000000 ] - [ -0.0281081800000000, -0.0332538100000000, 0.0031122700000000 ] - [ 0.0034910500000000, 0.0229087600000000, 0.0031911000000000 ] - [ 0.0003318400000000, -0.0076892500000000, -0.0005421600000000 ] - [ 0.0012040800000000, 0.0135812500000000, 0.0038952500000000 ] - [ -0.0002163400000000, -0.0069080100000000, -0.0003081900000000 ] - [ -0.0004156300000000, 0.0005887300000000, -0.0006941000000000 ] - [ 0.0000718500000000, -0.0005835300000000, 0.0014051800000000 ] - [ 0.0013845300000000, -0.0017600600000000, -0.0004541400000000 ] - [ -0.0003289300000000, 0.0015526800000000, 0.0003064100000000 ] - [ 0.0080448300000000, -0.0104891900000000, -0.0031526400000000 ] - [ -0.0012110800000000, 0.0078365800000000, 0.0020764200000000 ] - [ 0.0001214200000000, -0.0002211500000000, 0.0004030800000000 ] - [ -0.0000524000000000, 0.0003092500000000, -0.0003819900000000 ] - [ -0.0001409300000000, -0.0066131700000000, 0.0032886000000000 ] - [ -0.0002723800000000, 0.0040902700000000, -0.0007639700000000 ] - [ -0.0005317500000000, -0.0035409800000000, 0.0010054100000000 ] - [ 0.0005184700000000, 0.0016598500000000, -0.0000814000000000 ] - [ 0.0028343800000000, -0.0143045900000000, 0.0004630400000000 ] - [ 0.0012029300000000, 0.0070526900000000, 0.0027494400000000 ] - [ 0.0004671100000000, 0.0078956400000000, -0.0041679000000000 ] - [ -0.0034445400000000, -0.0111414600000000, 0.0047217600000000 ] - [ -0.0002361600000000, -0.0010766700000000, -0.0004761900000000 ] - [ 0.0000286000000000, 0.0007047800000000, 0.0003280500000000 ] - [ -0.0020067900000000, 0.0027641800000000, 0.0015530400000000 ] - [ 0.0014790100000000, -0.0016984900000000, -0.0028750800000000 ] - [ 0.0004307000000000, -0.0372568200000000, -0.0045696000000000 ] - [ -0.0002997600000000, 0.0142625700000000, -0.0033772200000000 ] - [ -0.0000398700000000, -0.0115624400000000, -0.0028846500000000 ] - [ -0.0002218200000000, 0.0033041700000000, 0.0003525200000000 ] - [ -0.0000155900000000, -0.0003452300000000, -0.0013710000000000 ] - [ 0.0002076600000000, 0.0008698300000000, 0.0011832300000000 ] - [ -0.0036626200000000, -0.0039135900000000, 0.0059183500000000 ] - [ 0.0012443400000000, 0.0046718800000000, -0.0031242900000000 ] - [ 0.0006983200000000, -0.0020016900000000, -0.0009497700000000 ] - [ -0.0001308200000000, 0.0012204600000000, -0.0001830800000000 ] - [ -0.0002115100000000, 0.0079335500000000, -0.0043446600000000 ] - [ 0.0017986000000000, -0.0124514100000000, 0.0040812400000000 ] - [ -0.0037561500000000, -0.0148238300000000, 0.0013501900000000 ] - [ -0.0011468100000000, 0.0069040200000000, 0.0026014600000000 ] - [ 0.0001993300000000, -0.0028815700000000, -0.0000937100000000 ] - [ -0.0005380600000000, 0.0015675300000000, 0.0000852700000000 ] - [ 0.0001493300000000, -0.0000265200000000, 0.0009035800000000 ] - [ 0.0001938400000000, -0.0003650700000000, -0.0005056600000000 ] - [ -0.0000412100000000, -0.0039154100000000, -0.0001407300000000 ] - [ 0.0000386300000000, 0.0024943200000000, -0.0000095100000000 ] - [ -0.0060539000000000, -0.0119912100000000, -0.0014727700000000 ] - [ 0.0012426100000000, 0.0080912100000000, 0.0019796100000000 ] - [ -0.0010821300000000, -0.0022403900000000, -0.0013879800000000 ] - [ 0.0007323800000000, 0.0027117700000000, 0.0009389800000000 ] - [ -0.0007498000000000, -0.0021142200000000, -0.0011790900000000 ] - [ 0.0002054600000000, 0.0013338600000000, -0.0001957500000000 ] - [ 0.0036620900000000, -0.0039167200000000, 0.0060456600000000 ] - [ -0.0012994100000000, 0.0049444800000000, -0.0033297400000000 ] - [ 0.0001395600000000, -0.0003880500000000, -0.0004113800000000 ] - [ 0.0000359300000000, 0.0004473100000000, -0.0004276200000000 ] - [ 0.0002654500000000, 0.0053990800000000, 0.0020999400000000 ] - [ 0.0005768300000000, -0.0024337700000000, -0.0012675800000000 ] - [ -0.0001742800000000, -0.0052797600000000, -0.0001426400000000 ] - [ 0.0001518200000000, 0.0018681200000000, -0.0001172300000000 ] - [ 0.0017412000000000, 0.0024617500000000, 0.0016009900000000 ] - [ -0.0013327300000000, -0.0014849600000000, -0.0028113100000000 ] - [ -0.0000563000000000, -0.0007183700000000, -0.0002493700000000 ] - [ -0.0002246600000000, 0.0003886800000000, -0.0001507400000000 ]- atom: 5 displacement: [ -0.0014701282124378, 0.0000000000000000, 0.0098913458659069 ] forces: - [ -0.0001783900000000, -0.0006022400000000, 0.0064827400000000 ] - [ 0.0000635400000000, -0.0002334900000000, 0.0026813500000000 ] - [ 0.0004223800000000, 0.0103657400000000, 0.0042366400000000 ] - [ 0.0016591800000000, -0.0126447600000000, 0.0080827400000000 ] - [ 0.0189525100000000, 0.0092019500000000, -0.1237689400000000 ] - [ 0.0004932000000000, 0.0005919200000000, -0.0035297600000000 ] - [ 0.0001851800000000, -0.0105174100000000, 0.0062392400000000 ] - [ 0.0011165400000000, 0.0065283600000000, 0.0050246500000000 ] - [ 0.0001580100000000, -0.0010885900000000, 0.0061612300000000 ] - [ -0.0000101500000000, -0.0002129600000000, 0.0029856500000000 ] - [ -0.0005910100000000, 0.0030579700000000, 0.0019663800000000 ] - [ -0.0006888700000000, -0.0031631100000000, 0.0019546000000000 ] - [ -0.0055356800000000, 0.0045833400000000, -0.0141521900000000 ] - [ -0.0005779900000000, 0.0002523800000000, -0.0028380500000000 ] - [ 0.0001978000000000, -0.0032219200000000, 0.0025031500000000 ] - [ -0.0005033000000000, 0.0034404000000000, 0.0033429400000000 ] - [ -0.0343006800000000, 0.0012051100000000, 0.0269072000000000 ] - [ -0.0002181000000000, 0.0002737900000000, -0.0026878100000000 ] - [ 0.0053253500000000, -0.0050702100000000, -0.0139741200000000 ] - [ -0.0017064800000000, -0.0002164300000000, -0.0252140300000000 ] - [ 0.0005403400000000, 0.0007770700000000, 0.0059885700000000 ] - [ -0.0000114000000000, -0.0006998900000000, 0.0059117500000000 ] - [ -0.0119172900000000, 0.0015741600000000, 0.0144926600000000 ] - [ -0.0006298700000000, 0.0002685100000000, 0.0006800200000000 ] - [ -0.0053106900000000, 0.0013642500000000, -0.0122059200000000 ] - [ -0.0016451600000000, -0.0081783000000000, -0.0251714500000000 ] - [ 0.0280609900000000, 0.0009046300000000, 0.0164998800000000 ] - [ 0.0001109800000000, 0.0005498200000000, -0.0028963300000000 ] - [ 0.0121558700000000, 0.0008554100000000, 0.0121866300000000 ] - [ 0.0008442800000000, 0.0002881600000000, 0.0004116200000000 ] - [ -0.0006995600000000, 0.0013602600000000, 0.0060255700000000 ] - [ -0.0000686400000000, -0.0004425500000000, 0.0060825500000000 ] - [ 0.0029170700000000, 0.0030568600000000, -0.0052681600000000 ] - [ 0.0002181000000000, -0.0018626500000000, -0.0006456200000000 ] - [ 0.0061472800000000, 0.0061617600000000, 0.0139982800000000 ] - [ 0.0002430400000000, 0.0010414100000000, 0.0024411100000000 ] - [ 0.0001491900000000, 0.0001611700000000, -0.0025722000000000 ] - [ 0.0000443900000000, 0.0005751800000000, -0.0016711600000000 ] - [ -0.0007502800000000, -0.0027709900000000, -0.0107729500000000 ] - [ -0.0003975400000000, 0.0019559800000000, -0.0000600800000000 ] - [ 0.0012719300000000, -0.0025333700000000, -0.0049320700000000 ] - [ 0.0008813700000000, 0.0020544600000000, -0.0001265200000000 ] - [ 0.0006035200000000, 0.0003520600000000, 0.0186535000000000 ] - [ -0.0013801700000000, -0.0003772700000000, 0.0019680000000000 ] - [ 0.0001457500000000, 0.0004909900000000, 0.0035506000000000 ] - [ -0.0006238000000000, -0.0052498600000000, 0.0195283800000000 ] - [ -0.0005860800000000, -0.0012466700000000, -0.0024839500000000 ] - [ -0.0003498400000000, -0.0010501400000000, -0.0013095300000000 ] - [ 0.0004625500000000, -0.0007879900000000, -0.0018199900000000 ] - [ 0.0012097900000000, 0.0029903200000000, -0.0044294800000000 ] - [ -0.0021484700000000, 0.0042045600000000, 0.0105077500000000 ] - [ -0.0011236700000000, 0.0035605000000000, 0.0052861600000000 ] - [ -0.0018184600000000, -0.0025686100000000, 0.0127725300000000 ] - [ -0.0002879000000000, -0.0016249700000000, 0.0012095900000000 ] - [ -0.0001346000000000, 0.0007417100000000, -0.0049152900000000 ] - [ 0.0000963600000000, -0.0000162700000000, -0.0033876700000000 ] - [ 0.0047446200000000, -0.0040249400000000, 0.0000236200000000 ] - [ 0.0006013000000000, 0.0015211900000000, 0.0017390700000000 ] - [ 0.0014531900000000, -0.0031996900000000, -0.0054249700000000 ] - [ 0.0001634200000000, 0.0000902900000000, -0.0019872200000000 ] - [ -0.0006191700000000, -0.0000880000000000, 0.0040321600000000 ] - [ -0.0010817500000000, -0.0042804000000000, 0.0215678200000000 ] - [ -0.0053660500000000, -0.0004643500000000, 0.0198840600000000 ] - [ 0.0010257100000000, -0.0010002900000000, 0.0017443400000000 ] - [ -0.0012065200000000, -0.0017300200000000, -0.0050270600000000 ] - [ -0.0008817100000000, 0.0019392000000000, -0.0009784500000000 ] - [ 0.0001747100000000, -0.0010448400000000, -0.0019922400000000 ] - [ 0.0002098900000000, -0.0003960700000000, -0.0020432300000000 ] - [ 0.0005757500000000, 0.0006560100000000, 0.0002392000000000 ] - [ 0.0001776100000000, -0.0005474200000000, 0.0003792100000000 ] - [ -0.0049014100000000, 0.0038516100000000, 0.0147180000000000 ] - [ 0.0000633600000000, 0.0022598000000000, 0.0021210100000000 ] - [ -0.0036506600000000, 0.0044277800000000, -0.0023265400000000 ] - [ -0.0002012600000000, -0.0021824500000000, 0.0001806600000000 ] - [ -0.0011189000000000, -0.0028486000000000, -0.0048057300000000 ] - [ 0.0000196800000000, 0.0000510700000000, -0.0018039700000000 ] - [ -0.0034030700000000, -0.0034202800000000, 0.0019667300000000 ] - [ -0.0001709000000000, 0.0006167600000000, 0.0025977500000000 ] - [ 0.0002608800000000, 0.0006384000000000, -0.0035631900000000 ] - [ 0.0000804100000000, 0.0000777900000000, -0.0026581000000000 ] - [ 0.0008725300000000, 0.0006372100000000, 0.0015822100000000 ] - [ 0.0019902300000000, 0.0018943500000000, 0.0045362700000000 ] - [ 0.0012304100000000, -0.0026649700000000, -0.0004505800000000 ] - [ 0.0000375900000000, 0.0002730800000000, 0.0008776500000000 ] - [ -0.0004918900000000, -0.0006765500000000, -0.0016344800000000 ] - [ -0.0012499800000000, 0.0026990500000000, -0.0037988200000000 ] - [ 0.0001919600000000, -0.0009227500000000, -0.0031356500000000 ] - [ -0.0000124500000000, -0.0005515200000000, -0.0024899100000000 ]- atom: 5 displacement: [ 0.0014701282124378, 0.0000000000000000, -0.0098913458659069 ] forces: - [ 0.0001424400000000, 0.0004415900000000, -0.0063597900000000 ] - [ -0.0000999300000000, 0.0000753300000000, -0.0025723300000000 ] - [ -0.0002409000000000, -0.0100012400000000, -0.0038864300000000 ] - [ -0.0014908100000000, 0.0132305300000000, -0.0078500700000000 ] - [ -0.0187096100000000, -0.0100319800000000, 0.1218720000000000 ] - [ -0.0003767400000000, -0.0005903100000000, 0.0034010500000000 ] - [ -0.0002555300000000, 0.0099983100000000, -0.0064816300000000 ] - [ -0.0011850000000000, -0.0069089800000000, -0.0053066400000000 ] - [ -0.0000775000000000, 0.0006541900000000, -0.0058740500000000 ] - [ 0.0000891800000000, -0.0002233900000000, -0.0027037800000000 ] - [ 0.0004835700000000, -0.0031059500000000, -0.0018335000000000 ] - [ 0.0005791100000000, 0.0031457900000000, -0.0018165600000000 ] - [ 0.0053672600000000, -0.0041807000000000, 0.0139905700000000 ] - [ 0.0003868200000000, 0.0002235800000000, 0.0025737400000000 ] - [ -0.0001663900000000, 0.0030425100000000, -0.0026301000000000 ] - [ 0.0005337500000000, -0.0035752300000000, -0.0034674100000000 ] - [ 0.0340296200000000, -0.0012740400000000, -0.0266251700000000 ] - [ 0.0005354300000000, -0.0003101000000000, 0.0026320800000000 ] - [ -0.0053778100000000, 0.0050655700000000, 0.0138780900000000 ] - [ 0.0016304900000000, -0.0000331900000000, 0.0250902800000000 ] - [ -0.0003686100000000, -0.0011608800000000, -0.0058200900000000 ] - [ 0.0001838800000000, 0.0003582800000000, -0.0057490800000000 ] - [ 0.0121923700000000, -0.0013842500000000, -0.0150120400000000 ] - [ 0.0007395200000000, -0.0000838700000000, -0.0010629900000000 ] - [ 0.0050948000000000, -0.0010273800000000, 0.0126494100000000 ] - [ 0.0014428200000000, 0.0082731600000000, 0.0256263000000000 ] - [ -0.0278449300000000, -0.0012756700000000, -0.0165809200000000 ] - [ -0.0002834000000000, -0.0009003500000000, 0.0027058800000000 ] - [ -0.0121401800000000, -0.0009672700000000, -0.0121183500000000 ] - [ -0.0006750100000000, -0.0004224100000000, -0.0002868200000000 ] - [ 0.0003800200000000, -0.0014212300000000, -0.0059982500000000 ] - [ -0.0002498200000000, 0.0004150000000000, -0.0060591900000000 ] - [ -0.0026384300000000, -0.0033136800000000, 0.0053320800000000 ] - [ 0.0000390000000000, 0.0015764900000000, 0.0007445800000000 ] - [ -0.0062517800000000, -0.0059491000000000, -0.0139205100000000 ] - [ -0.0001561900000000, -0.0007653600000000, -0.0025484300000000 ] - [ -0.0001028600000000, -0.0001259300000000, 0.0026780100000000 ] - [ 0.0000025900000000, -0.0005565000000000, 0.0017744500000000 ] - [ 0.0002670200000000, 0.0028658100000000, 0.0112866600000000 ] - [ -0.0001046800000000, -0.0019266200000000, 0.0004245700000000 ] - [ -0.0013973800000000, 0.0025372100000000, 0.0052886000000000 ] - [ -0.0010211200000000, -0.0020194800000000, 0.0005115200000000 ] - [ -0.0011720400000000, 0.0001023300000000, -0.0193085800000000 ] - [ 0.0012132000000000, 0.0005030700000000, -0.0022719700000000 ] - [ -0.0000505200000000, -0.0002271900000000, -0.0030153400000000 ] - [ 0.0003862100000000, 0.0059211300000000, -0.0186247600000000 ] - [ 0.0004195300000000, 0.0010256900000000, 0.0025471900000000 ] - [ 0.0001871800000000, 0.0008437400000000, 0.0013770000000000 ] - [ -0.0004163600000000, 0.0010945700000000, 0.0017808100000000 ] - [ -0.0011831000000000, -0.0027127500000000, 0.0044091700000000 ] - [ 0.0020700100000000, -0.0043739000000000, -0.0104634600000000 ] - [ 0.0010666700000000, -0.0035626400000000, -0.0051885800000000 ] - [ 0.0014535000000000, 0.0017496200000000, -0.0117110900000000 ] - [ -0.0000618300000000, 0.0013278000000000, -0.0015539800000000 ] - [ 0.0002823000000000, -0.0006515500000000, 0.0047912000000000 ] - [ 0.0000522900000000, 0.0000963500000000, 0.0032701900000000 ] - [ -0.0049625300000000, 0.0040563600000000, 0.0000282200000000 ] - [ -0.0007705300000000, -0.0015472600000000, -0.0016737100000000 ] - [ -0.0012866000000000, 0.0033813700000000, 0.0049344300000000 ] - [ 0.0000138500000000, 0.0000639500000000, 0.0014755100000000 ] - [ 0.0004362700000000, 0.0002321100000000, -0.0034903800000000 ] - [ 0.0011110500000000, 0.0047173000000000, -0.0207836100000000 ] - [ 0.0062301500000000, 0.0009588100000000, -0.0206317100000000 ] - [ -0.0008497400000000, 0.0009431000000000, -0.0018571500000000 ] - [ 0.0010433200000000, 0.0018072900000000, 0.0051383800000000 ] - [ 0.0007296300000000, -0.0018424400000000, 0.0011078200000000 ] - [ 0.0001742900000000, 0.0007637000000000, 0.0023477300000000 ] - [ 0.0001383500000000, 0.0001023600000000, 0.0023971200000000 ] - [ -0.0005253900000000, -0.0006778200000000, -0.0003975400000000 ] - [ -0.0001137300000000, 0.0005389500000000, -0.0005173500000000 ] - [ 0.0049867200000000, -0.0035903600000000, -0.0145791500000000 ] - [ -0.0001000000000000, -0.0019672200000000, -0.0020875300000000 ] - [ 0.0037800100000000, -0.0046217700000000, 0.0022606300000000 ] - [ 0.0003685400000000, 0.0019618800000000, -0.0002317000000000 ] - [ 0.0010332700000000, 0.0031382000000000, 0.0043080600000000 ] - [ -0.0001127500000000, 0.0002209100000000, 0.0012963900000000 ] - [ 0.0035751100000000, 0.0036086900000000, -0.0017393900000000 ] - [ 0.0003286300000000, -0.0004548800000000, -0.0023323000000000 ] - [ -0.0001161300000000, -0.0006107900000000, 0.0031868200000000 ] - [ 0.0000631900000000, -0.0000597000000000, 0.0022880700000000 ] - [ -0.0003669100000000, -0.0006296200000000, -0.0019776900000000 ] - [ -0.0014961400000000, -0.0018592300000000, -0.0049056700000000 ] - [ -0.0012575200000000, 0.0026788200000000, 0.0003774900000000 ] - [ -0.0000824900000000, -0.0002473900000000, -0.0009691100000000 ] - [ 0.0003963600000000, 0.0009536800000000, 0.0017331500000000 ] - [ 0.0011735600000000, -0.0024413200000000, 0.0039084100000000 ] - [ -0.0004481800000000, 0.0006387000000000, 0.0030460800000000 ] - [ -0.0002457700000000, 0.0002791000000000, 0.0024061300000000 ]- atom: 7 displacement: [ 0.0099999999959232, 0.0000000000000000, 0.0000002855446085 ] forces: - [ 0.0002138000000000, -0.0067771000000000, -0.0109127300000000 ] - [ 0.0010123700000000, 0.0064512900000000, -0.0082874700000000 ] - [ -0.0007613500000000, 0.0002789100000000, -0.0001418800000000 ] - [ -0.0003143100000000, 0.0002410600000000, -0.0001625600000000 ] - [ -0.0025009700000000, -0.0000083600000000, -0.0001900900000000 ] - [ -0.0055559400000000, -0.0001155300000000, 0.0002738800000000 ] - [ -0.1003442300000000, -0.0137733700000000, 0.0053245600000000 ] - [ -0.0052227300000000, 0.0003091600000000, -0.0001270000000000 ] - [ -0.0000710500000000, 0.0018196000000000, 0.0053526900000000 ] - [ -0.0000438300000000, -0.0038485900000000, 0.0079836000000000 ] - [ 0.0004606300000000, 0.0001466700000000, 0.0002526000000000 ] - [ 0.0002388600000000, -0.0001173300000000, 0.0000527200000000 ] - [ 0.0028121300000000, 0.0004339500000000, -0.0007779900000000 ] - [ 0.0024270300000000, 0.0000985200000000, 0.0000995800000000 ] - [ 0.0400754600000000, -0.0042272700000000, 0.0033253500000000 ] - [ 0.0050228000000000, 0.0004197000000000, 0.0007951800000000 ] - [ 0.0024872900000000, -0.0221508100000000, 0.0136640300000000 ] - [ 0.0085202100000000, 0.0201192800000000, 0.0163369300000000 ] - [ 0.0032617700000000, -0.0040105700000000, 0.0099802300000000 ] - [ 0.0000608500000000, 0.0010652000000000, 0.0015770100000000 ] - [ -0.0040086500000000, -0.0013805700000000, -0.0005940200000000 ] - [ -0.0011601600000000, -0.0008183100000000, -0.0001218200000000 ] - [ -0.0001116300000000, 0.0004110600000000, -0.0009723500000000 ] - [ 0.0000068400000000, -0.0000868600000000, -0.0008778300000000 ] - [ 0.0022955900000000, 0.0018921300000000, -0.0112162600000000 ] - [ 0.0002168400000000, 0.0002899500000000, -0.0015854200000000 ] - [ -0.0001896700000000, 0.0346884500000000, -0.0133984500000000 ] - [ 0.0071046900000000, -0.0201924500000000, -0.0121200300000000 ] - [ 0.0002169700000000, -0.0002429400000000, 0.0003557100000000 ] - [ 0.0004047400000000, 0.0002954900000000, 0.0009347000000000 ] - [ 0.0023796800000000, -0.0001795600000000, 0.0005112700000000 ] - [ 0.0009871300000000, -0.0003633300000000, -0.0001253900000000 ] - [ -0.0029198500000000, 0.0099231400000000, -0.0012918400000000 ] - [ -0.0007413200000000, -0.0050683300000000, 0.0010464400000000 ] - [ -0.0008147300000000, 0.0019345400000000, -0.0025281300000000 ] - [ -0.0007603200000000, -0.0024181200000000, -0.0041904700000000 ] - [ 0.0000804200000000, -0.0006723700000000, 0.0011271400000000 ] - [ 0.0000449500000000, -0.0015707700000000, 0.0012199700000000 ] - [ 0.0000245600000000, 0.0000301700000000, 0.0003196900000000 ] - [ 0.0000655100000000, 0.0000363800000000, 0.0002427600000000 ] - [ 0.0006405200000000, 0.0036360200000000, 0.0010177400000000 ] - [ 0.0033684000000000, -0.0061253600000000, -0.0038597500000000 ] - [ 0.0001303700000000, -0.0001721800000000, -0.0005595700000000 ] - [ 0.0005350600000000, -0.0009205200000000, -0.0021917000000000 ] - [ 0.0004848200000000, -0.0021618000000000, -0.0124137000000000 ] - [ 0.0015582000000000, 0.0018894600000000, -0.0017022100000000 ] - [ 0.0021249900000000, 0.0006653700000000, 0.0002577100000000 ] - [ 0.0041200900000000, 0.0002328600000000, 0.0015760400000000 ] - [ 0.0002563200000000, 0.0000965600000000, 0.0002354300000000 ] - [ 0.0001577500000000, -0.0000232300000000, 0.0002939900000000 ] - [ 0.0030266400000000, 0.0001450800000000, 0.0001282700000000 ] - [ 0.0008640900000000, -0.0001051800000000, 0.0000703400000000 ] - [ 0.0202284800000000, 0.0006077000000000, 0.0003584400000000 ] - [ 0.0059260500000000, -0.0007170700000000, -0.0003653900000000 ] - [ 0.0132127100000000, 0.0015217500000000, 0.0021997700000000 ] - [ 0.0019295800000000, 0.0005049000000000, -0.0003619200000000 ] - [ -0.0003217800000000, -0.0004691800000000, 0.0013592700000000 ] - [ -0.0002425700000000, -0.0000491100000000, 0.0004985900000000 ] - [ 0.0002550100000000, 0.0002203900000000, 0.0000579900000000 ] - [ 0.0005390000000000, 0.0004182800000000, -0.0003580900000000 ] - [ 0.0028534500000000, 0.0025212000000000, 0.0100450400000000 ] - [ 0.0020229700000000, -0.0025926700000000, 0.0033818400000000 ] - [ 0.0003389700000000, -0.0000021400000000, 0.0006807000000000 ] - [ 0.0007217400000000, 0.0011346400000000, 0.0018360100000000 ] - [ 0.0006625400000000, -0.0045059000000000, -0.0039527400000000 ] - [ 0.0024822400000000, 0.0093362500000000, -0.0006967200000000 ] - [ 0.0001356800000000, -0.0008446600000000, -0.0007458500000000 ] - [ 0.0001532700000000, -0.0003693300000000, 0.0001472200000000 ] - [ -0.0001890300000000, -0.0000293200000000, 0.0000981500000000 ] - [ -0.0002951800000000, 0.0000376600000000, -0.0001397600000000 ] - [ -0.0000540500000000, -0.0020404000000000, 0.0043444200000000 ] - [ -0.0005800200000000, 0.0016930700000000, 0.0024186100000000 ] - [ 0.0160632400000000, -0.0028782700000000, 0.0019645500000000 ] - [ -0.0005151400000000, 0.0038279900000000, -0.0005325300000000 ] - [ -0.0003240800000000, 0.0000424600000000, -0.0005353000000000 ] - [ -0.0005692200000000, 0.0003292500000000, -0.0007673300000000 ] - [ -0.0003680100000000, 0.0007596500000000, -0.0011932200000000 ] - [ -0.0000835300000000, 0.0000872700000000, -0.0004719100000000 ] - [ -0.0046375000000000, -0.0003797100000000, -0.0018249400000000 ] - [ -0.0017452000000000, 0.0003646900000000, -0.0004377500000000 ] - [ -0.0040406500000000, 0.0003126500000000, 0.0000441100000000 ] - [ -0.0010865500000000, -0.0001355800000000, -0.0001294900000000 ] - [ -0.0078869100000000, -0.0008745000000000, -0.0003855300000000 ] - [ -0.0106352500000000, 0.0006886700000000, -0.0001691600000000 ] - [ -0.0002874300000000, 0.0002245000000000, -0.0003037400000000 ] - [ -0.0001768200000000, 0.0002237100000000, 0.0001224200000000 ] - [ -0.0015659000000000, 0.0004019100000000, -0.0001910000000000 ] - [ -0.0040877100000000, 0.0006100800000000, -0.0000016900000000 ]- atom: 7 displacement: [ -0.0099999999959232, 0.0000000000000000, -0.0000002855446085 ] forces: - [ -0.0001702100000000, 0.0066583900000000, 0.0111154200000000 ] - [ -0.0010289400000000, -0.0066244000000000, 0.0084363300000000 ] - [ 0.0009607300000000, 0.0001749500000000, 0.0004136200000000 ] - [ 0.0005090900000000, 0.0002108200000000, 0.0004332000000000 ] - [ 0.0026074500000000, -0.0000437800000000, 0.0001233100000000 ] - [ 0.0056796100000000, 0.0001025800000000, -0.0003837200000000 ] - [ 0.0996535600000000, 0.0130292000000000, -0.0055623200000000 ] - [ 0.0051400700000000, -0.0007511600000000, -0.0001630200000000 ] - [ 0.0000747900000000, -0.0022832100000000, -0.0050413200000000 ] - [ 0.0001020500000000, 0.0034114300000000, -0.0076796000000000 ] - [ -0.0005864700000000, -0.0001712300000000, -0.0001413300000000 ] - [ -0.0003582700000000, 0.0000909700000000, 0.0000644000000000 ] - [ -0.0030025600000000, 0.0000222700000000, 0.0004911200000000 ] - [ -0.0026227700000000, 0.0003580500000000, -0.0003778400000000 ] - [ -0.0399566600000000, 0.0039466800000000, -0.0033308900000000 ] - [ -0.0049843900000000, -0.0005710500000000, -0.0008994200000000 ] - [ -0.0020306500000000, 0.0222756600000000, -0.0138163600000000 ] - [ -0.0081893900000000, -0.0202677200000000, -0.0164364000000000 ] - [ -0.0034064800000000, 0.0038642900000000, -0.0100980700000000 ] - [ -0.0002225500000000, -0.0012171700000000, -0.0016738900000000 ] - [ 0.0042107600000000, 0.0011055300000000, 0.0006004100000000 ] - [ 0.0013317800000000, 0.0004523900000000, 0.0002906800000000 ] - [ 0.0002269500000000, -0.0002484700000000, 0.0005491700000000 ] - [ 0.0001022800000000, 0.0002749900000000, 0.0004589900000000 ] - [ -0.0024437900000000, -0.0017548800000000, 0.0115949600000000 ] - [ -0.0003314300000000, -0.0001173800000000, 0.0019846700000000 ] - [ -0.0001324700000000, -0.0347057400000000, 0.0130882700000000 ] - [ -0.0073073800000000, 0.0197334000000000, 0.0119067600000000 ] - [ -0.0000476100000000, 0.0001003700000000, -0.0002596500000000 ] - [ -0.0002372700000000, -0.0004375600000000, -0.0008401000000000 ] - [ -0.0026915300000000, 0.0001316700000000, -0.0004375500000000 ] - [ -0.0013047600000000, 0.0003197200000000, 0.0001535000000000 ] - [ 0.0023843700000000, -0.0099382300000000, 0.0014827400000000 ] - [ 0.0010058900000000, 0.0047939900000000, -0.0009675400000000 ] - [ 0.0008827400000000, -0.0016692100000000, 0.0024332600000000 ] - [ 0.0008400800000000, 0.0026886800000000, 0.0040917500000000 ] - [ -0.0000853100000000, 0.0007025000000000, -0.0010268900000000 ] - [ -0.0000039600000000, 0.0015974200000000, -0.0011218800000000 ] - [ -0.0005320100000000, 0.0000105800000000, 0.0000510600000000 ] - [ -0.0005711000000000, 0.0000024500000000, 0.0001294200000000 ] - [ -0.0007994900000000, -0.0036321800000000, -0.0006505100000000 ] - [ -0.0043065400000000, 0.0056180200000000, 0.0044138300000000 ] - [ -0.0002960500000000, 0.0003371200000000, 0.0002869900000000 ] - [ -0.0006944600000000, 0.0010805300000000, 0.0019217100000000 ] - [ -0.0004990000000000, 0.0024038100000000, 0.0128952100000000 ] - [ -0.0014934100000000, -0.0016009300000000, 0.0022065400000000 ] - [ -0.0023035700000000, -0.0008591600000000, -0.0001895000000000 ] - [ -0.0043036700000000, -0.0005054500000000, -0.0015104600000000 ] - [ -0.0002223200000000, 0.0001923200000000, -0.0002346100000000 ] - [ -0.0001225700000000, 0.0003262600000000, -0.0003200000000000 ] - [ -0.0030926100000000, -0.0001640700000000, -0.0000132300000000 ] - [ -0.0009277400000000, 0.0000962900000000, 0.0000563100000000 ] - [ -0.0206063700000000, -0.0006804800000000, -0.0008376200000000 ] - [ -0.0062825600000000, 0.0004157100000000, 0.0000144500000000 ] - [ -0.0130838500000000, -0.0014068600000000, -0.0021732100000000 ] - [ -0.0017793900000000, -0.0004175700000000, 0.0002349900000000 ] - [ 0.0001569900000000, 0.0004480000000000, -0.0012790800000000 ] - [ 0.0000763300000000, 0.0000252000000000, -0.0004198900000000 ] - [ -0.0000747400000000, -0.0000405300000000, -0.0005273000000000 ] - [ -0.0003599100000000, -0.0002572900000000, -0.0001404700000000 ] - [ -0.0028929600000000, -0.0024027600000000, -0.0096460400000000 ] - [ -0.0021655300000000, 0.0027458700000000, -0.0028537000000000 ] - [ -0.0001626000000000, -0.0000128400000000, -0.0007523300000000 ] - [ -0.0005548000000000, -0.0011589100000000, -0.0019104600000000 ] - [ -0.0007873900000000, 0.0045627700000000, 0.0040338000000000 ] - [ -0.0021611300000000, -0.0095476900000000, 0.0009385500000000 ] - [ 0.0002439200000000, 0.0005485500000000, 0.0011048000000000 ] - [ 0.0001988700000000, 0.0000858900000000, 0.0002098500000000 ] - [ 0.0002566900000000, 0.0000193000000000, -0.0002195100000000 ] - [ 0.0003626700000000, -0.0000507200000000, 0.0000184600000000 ] - [ 0.0000374500000000, 0.0023387000000000, -0.0042723000000000 ] - [ 0.0005487400000000, -0.0013976000000000, -0.0023847800000000 ] - [ -0.0141733100000000, 0.0032382000000000, -0.0021518600000000 ] - [ 0.0006787000000000, -0.0040422700000000, 0.0004644600000000 ] - [ 0.0002372100000000, 0.0002371700000000, 0.0000306000000000 ] - [ 0.0004790500000000, -0.0000459100000000, 0.0002677000000000 ] - [ 0.0005255000000000, -0.0005977900000000, 0.0014663200000000 ] - [ 0.0002415800000000, 0.0000739300000000, 0.0007445400000000 ] - [ 0.0047726500000000, 0.0003889000000000, 0.0013916500000000 ] - [ 0.0018900500000000, -0.0003433100000000, 0.0000624300000000 ] - [ 0.0045461200000000, -0.0002689800000000, -0.0004072700000000 ] - [ 0.0015878900000000, 0.0001748800000000, -0.0002387200000000 ] - [ 0.0078182900000000, 0.0008992000000000, 0.0002784800000000 ] - [ 0.0105894200000000, -0.0006229600000000, 0.0000751200000000 ] - [ 0.0001987400000000, 0.0000458200000000, 0.0004105200000000 ] - [ 0.0000895800000000, 0.0000472700000000, -0.0000104300000000 ] - [ 0.0013118000000000, -0.0006799800000000, 0.0001001400000000 ] - [ 0.0038334800000000, -0.0008712800000000, -0.0001194200000000 ]- atom: 7 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0065573400000000, 0.0064472100000000, 0.0097586800000000 ] - [ 0.0027196000000000, 0.0074257500000000, -0.0084562900000000 ] - [ -0.0000047300000000, -0.0011784800000000, 0.0013460600000000 ] - [ -0.0000113400000000, 0.0016164700000000, -0.0000748600000000 ] - [ 0.0002674300000000, 0.0038949700000000, -0.0104144600000000 ] - [ -0.0000021900000000, 0.0027928900000000, 0.0067016400000000 ] - [ -0.0133808200000000, -0.1091569600000000, 0.0065052700000000 ] - [ 0.0004895100000000, 0.0123125100000000, -0.0014827700000000 ] - [ 0.0036677800000000, 0.0041494900000000, 0.0067750300000000 ] - [ -0.0019997100000000, 0.0041686000000000, -0.0102490400000000 ] - [ 0.0001792000000000, -0.0011709400000000, 0.0009716400000000 ] - [ -0.0000161900000000, 0.0012981900000000, 0.0000590400000000 ] - [ -0.0000119900000000, 0.0002068600000000, -0.0029824200000000 ] - [ -0.0000150500000000, 0.0011073800000000, 0.0030241600000000 ] - [ 0.0020192700000000, -0.0235957400000000, 0.0020862800000000 ] - [ -0.0003486800000000, 0.0094328300000000, 0.0003493700000000 ] - [ -0.0192955200000000, 0.0189621700000000, -0.0081312900000000 ] - [ 0.0132052100000000, 0.0189873900000000, 0.0150603300000000 ] - [ 0.0013989100000000, -0.0120369300000000, 0.0034908600000000 ] - [ -0.0006312900000000, 0.0072238900000000, -0.0007922900000000 ] - [ -0.0009914600000000, -0.0164330800000000, 0.0065405400000000 ] - [ -0.0003404400000000, 0.0056507400000000, -0.0002150200000000 ] - [ -0.0001318400000000, 0.0003081700000000, 0.0005561500000000 ] - [ 0.0000461700000000, -0.0002135100000000, -0.0000073200000000 ] - [ -0.0018288700000000, -0.0128815200000000, 0.0027132100000000 ] - [ 0.0004027000000000, 0.0073285600000000, -0.0002493700000000 ] - [ 0.0227573700000000, 0.0253348200000000, -0.0104137500000000 ] - [ -0.0144170600000000, 0.0222254200000000, 0.0142632400000000 ] - [ 0.0000622400000000, -0.0002620400000000, 0.0001317000000000 ] - [ 0.0001500400000000, -0.0000231400000000, 0.0008367600000000 ] - [ -0.0011836800000000, -0.0057942700000000, 0.0007096100000000 ] - [ 0.0005236400000000, 0.0040464800000000, -0.0000382700000000 ] - [ 0.0063797900000000, 0.0107177400000000, -0.0020272300000000 ] - [ -0.0012845300000000, -0.0072449000000000, 0.0020632700000000 ] - [ 0.0022237400000000, 0.0043181200000000, 0.0060028700000000 ] - [ -0.0007839600000000, -0.0041796900000000, -0.0051313300000000 ] - [ 0.0021732800000000, 0.0022785800000000, -0.0019201600000000 ] - [ 0.0001088800000000, -0.0024801400000000, 0.0013294600000000 ] - [ -0.0001105400000000, 0.0004118800000000, 0.0000432000000000 ] - [ -0.0002178100000000, -0.0003393100000000, 0.0000786800000000 ] - [ 0.0010021300000000, -0.0063500400000000, -0.0021994900000000 ] - [ -0.0011668000000000, 0.0083091400000000, -0.0037601000000000 ] - [ 0.0007937700000000, -0.0014716000000000, 0.0007140100000000 ] - [ -0.0002234800000000, 0.0006846800000000, -0.0020525500000000 ] - [ -0.0049473100000000, 0.0058758300000000, -0.0124011700000000 ] - [ 0.0010830100000000, -0.0062085600000000, 0.0041712800000000 ] - [ -0.0007991900000000, -0.0045245500000000, -0.0024375900000000 ] - [ 0.0001028400000000, 0.0048966200000000, 0.0073170200000000 ] - [ 0.0001171800000000, 0.0019811000000000, -0.0019702200000000 ] - [ 0.0001224300000000, -0.0007401000000000, 0.0001916200000000 ] - [ -0.0000751100000000, 0.0038759900000000, 0.0009411000000000 ] - [ 0.0000286500000000, -0.0028418500000000, -0.0007272000000000 ] - [ 0.0011296800000000, 0.0075677800000000, 0.0020612600000000 ] - [ -0.0002028200000000, -0.0088652300000000, -0.0039550000000000 ] - [ 0.0009383600000000, 0.0173258400000000, 0.0007768900000000 ] - [ -0.0001445900000000, -0.0037057000000000, 0.0018657500000000 ] - [ 0.0001156900000000, 0.0015609200000000, -0.0007447800000000 ] - [ -0.0002015200000000, -0.0010858600000000, -0.0002158700000000 ] - [ 0.0001699600000000, 0.0002442200000000, -0.0020926200000000 ] - [ -0.0002286400000000, -0.0011451500000000, 0.0004408200000000 ] - [ 0.0050025800000000, 0.0068573200000000, -0.0122948400000000 ] - [ -0.0013696000000000, -0.0064194000000000, 0.0039534100000000 ] - [ -0.0007703900000000, -0.0017457000000000, 0.0007513700000000 ] - [ 0.0001783800000000, 0.0006381800000000, -0.0020253800000000 ] - [ -0.0015963500000000, -0.0066155100000000, -0.0030249700000000 ] - [ 0.0085674200000000, 0.0011472500000000, 0.0010564500000000 ] - [ -0.0006339500000000, 0.0029807100000000, 0.0006135900000000 ] - [ 0.0000126000000000, -0.0021540500000000, -0.0006591600000000 ] - [ -0.0000689300000000, -0.0001883000000000, 0.0004583700000000 ] - [ -0.0000041900000000, 0.0002595700000000, -0.0008798100000000 ] - [ -0.0020755900000000, 0.0038692300000000, 0.0063479700000000 ] - [ 0.0008508900000000, -0.0039331300000000, -0.0042443900000000 ] - [ -0.0024469900000000, 0.0152647000000000, -0.0018761500000000 ] - [ 0.0015913000000000, -0.0088944300000000, 0.0021005600000000 ] - [ -0.0002232000000000, 0.0007188200000000, -0.0009747200000000 ] - [ 0.0002270200000000, -0.0007841000000000, 0.0001378600000000 ] - [ -0.0002034700000000, 0.0017461200000000, -0.0007463200000000 ] - [ 0.0001811800000000, -0.0010696700000000, -0.0000241900000000 ] - [ -0.0001586800000000, 0.0029559500000000, -0.0030366100000000 ] - [ 0.0004370400000000, -0.0030607100000000, 0.0008307000000000 ] - [ 0.0002990800000000, 0.0015063200000000, -0.0007143700000000 ] - [ 0.0001810900000000, -0.0014643000000000, -0.0000275800000000 ] - [ -0.0001092600000000, -0.0050700800000000, 0.0006833500000000 ] - [ -0.0006861500000000, 0.0016043900000000, -0.0019808300000000 ] - [ 0.0000581700000000, 0.0010816200000000, -0.0009647900000000 ] - [ -0.0001496200000000, -0.0005025600000000, 0.0004339300000000 ] - [ 0.0004339300000000, -0.0032703500000000, -0.0013915400000000 ] - [ -0.0003482400000000, 0.0035021100000000, 0.0027637200000000 ]- atom: 7 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0064706200000000, -0.0066400700000000, -0.0096056600000000 ] - [ -0.0027881500000000, -0.0075984500000000, 0.0086192100000000 ] - [ 0.0001985200000000, 0.0016342600000000, -0.0010817400000000 ] - [ 0.0002043200000000, -0.0011651600000000, 0.0003425300000000 ] - [ -0.0001513200000000, -0.0039096200000000, 0.0102636100000000 ] - [ 0.0001227300000000, -0.0027873300000000, -0.0068645300000000 ] - [ 0.0134119800000000, 0.1076650100000000, -0.0064961800000000 ] - [ -0.0005709600000000, -0.0127840200000000, 0.0012189400000000 ] - [ -0.0035916800000000, -0.0046228500000000, -0.0064736000000000 ] - [ 0.0021027200000000, -0.0046040900000000, 0.0105750500000000 ] - [ -0.0002972200000000, 0.0011472300000000, -0.0008607600000000 ] - [ -0.0001005100000000, -0.0013260700000000, 0.0000573400000000 ] - [ -0.0001828900000000, 0.0002408500000000, 0.0027106300000000 ] - [ -0.0001787600000000, -0.0006424700000000, -0.0033057800000000 ] - [ -0.0020169700000000, 0.0235527300000000, -0.0022319200000000 ] - [ 0.0003895800000000, -0.0096111600000000, -0.0004576100000000 ] - [ 0.0193782800000000, -0.0189375800000000, 0.0080683800000000 ] - [ -0.0131103300000000, -0.0191422600000000, -0.0151949700000000 ] - [ -0.0015569300000000, 0.0118914900000000, -0.0035612700000000 ] - [ 0.0004620700000000, -0.0073826000000000, 0.0006859400000000 ] - [ 0.0011702400000000, 0.0161531000000000, -0.0064763900000000 ] - [ 0.0005116300000000, -0.0060286000000000, 0.0003914500000000 ] - [ 0.0002483000000000, -0.0001474200000000, -0.0009764400000000 ] - [ 0.0000661300000000, 0.0003998900000000, -0.0004050100000000 ] - [ 0.0017048300000000, 0.0130537500000000, -0.0022607900000000 ] - [ -0.0005123300000000, -0.0071693800000000, 0.0006458200000000 ] - [ -0.0225707900000000, -0.0255926000000000, 0.0101554800000000 ] - [ 0.0144824700000000, -0.0227253400000000, -0.0145335000000000 ] - [ 0.0001026100000000, 0.0001105900000000, -0.0000454200000000 ] - [ 0.0000168400000000, -0.0001101200000000, -0.0007471100000000 ] - [ 0.0008722800000000, 0.0057682500000000, -0.0007080800000000 ] - [ -0.0008425000000000, -0.0040991300000000, 0.0000616800000000 ] - [ -0.0063971500000000, -0.0106781000000000, 0.0021140200000000 ] - [ 0.0015591400000000, 0.0069784300000000, -0.0019911600000000 ] - [ -0.0021206500000000, -0.0040404600000000, -0.0061079300000000 ] - [ 0.0008787400000000, 0.0044518500000000, 0.0050416000000000 ] - [ -0.0021392600000000, -0.0022558500000000, 0.0020321000000000 ] - [ -0.0000622700000000, 0.0025096200000000, -0.0012321700000000 ] - [ -0.0003935800000000, -0.0003700500000000, 0.0003296500000000 ] - [ -0.0002846400000000, 0.0003769000000000, 0.0002934300000000 ] - [ -0.0011141400000000, 0.0063871400000000, 0.0025692400000000 ] - [ 0.0004936900000000, -0.0087097900000000, 0.0042805300000000 ] - [ -0.0009521800000000, 0.0016372600000000, -0.0009806100000000 ] - [ 0.0000683200000000, -0.0005314900000000, 0.0017815600000000 ] - [ 0.0050367900000000, -0.0056893200000000, 0.0129082100000000 ] - [ -0.0009893100000000, 0.0065083600000000, -0.0036741000000000 ] - [ 0.0006383400000000, 0.0043315600000000, 0.0025027000000000 ] - [ -0.0002684400000000, -0.0051620100000000, -0.0073037900000000 ] - [ -0.0000813300000000, -0.0016921500000000, 0.0019567300000000 ] - [ -0.0000875100000000, 0.0010447000000000, -0.0002194400000000 ] - [ 0.0000086400000000, -0.0038839800000000, -0.0008155300000000 ] - [ -0.0000931200000000, 0.0028374300000000, 0.0008611000000000 ] - [ -0.0015377700000000, -0.0067268800000000, -0.0030930600000000 ] - [ -0.0001416300000000, 0.0086756000000000, 0.0036688200000000 ] - [ -0.0007576900000000, -0.0170358700000000, -0.0004108400000000 ] - [ 0.0002941700000000, 0.0038026800000000, -0.0020078700000000 ] - [ -0.0002828900000000, -0.0015825500000000, 0.0008218400000000 ] - [ 0.0000338900000000, 0.0010619800000000, 0.0002953100000000 ] - [ 0.0000067400000000, -0.0000686700000000, 0.0016112100000000 ] - [ 0.0004052800000000, 0.0013092500000000, -0.0009435600000000 ] - [ -0.0051583000000000, -0.0067961600000000, 0.0127655100000000 ] - [ 0.0011857400000000, 0.0065964000000000, -0.0034497100000000 ] - [ 0.0009383700000000, 0.0017300600000000, -0.0008211400000000 ] - [ -0.0000149500000000, -0.0006698100000000, 0.0019495000000000 ] - [ 0.0014115600000000, 0.0067016800000000, 0.0031419100000000 ] - [ -0.0084118400000000, -0.0014693800000000, -0.0008092700000000 ] - [ 0.0009890200000000, -0.0032823800000000, -0.0002518000000000 ] - [ 0.0003364900000000, 0.0018737300000000, 0.0010171600000000 ] - [ 0.0001342400000000, 0.0001802400000000, -0.0005801400000000 ] - [ 0.0000690000000000, -0.0002750100000000, 0.0007595800000000 ] - [ 0.0020228300000000, -0.0035562900000000, -0.0063213300000000 ] - [ -0.0008952200000000, 0.0042312300000000, 0.0042899500000000 ] - [ 0.0029559100000000, -0.0151853900000000, 0.0017270400000000 ] - [ -0.0014430400000000, 0.0086953100000000, -0.0021757900000000 ] - [ 0.0001325700000000, -0.0004307000000000, 0.0004875900000000 ] - [ -0.0003187800000000, 0.0010662300000000, -0.0006360300000000 ] - [ 0.0003618800000000, -0.0015858300000000, 0.0010211300000000 ] - [ -0.0000228700000000, 0.0012287500000000, 0.0003005100000000 ] - [ 0.0003049600000000, -0.0029356500000000, 0.0026868600000000 ] - [ -0.0002938100000000, 0.0030836000000000, -0.0012101800000000 ] - [ 0.0002068300000000, -0.0014709500000000, 0.0003402600000000 ] - [ 0.0003217300000000, 0.0015080500000000, -0.0003415300000000 ] - [ 0.0000652900000000, 0.0051171200000000, -0.0007857900000000 ] - [ 0.0006407500000000, -0.0016025400000000, 0.0018751200000000 ] - [ -0.0001453800000000, -0.0008181200000000, 0.0010877800000000 ] - [ 0.0000633400000000, 0.0007761400000000, -0.0003201700000000 ] - [ -0.0006956600000000, 0.0030096700000000, 0.0013014700000000 ] - [ 0.0000943300000000, -0.0037964300000000, -0.0028458100000000 ]- atom: 7 displacement: [ -0.0014701282124378, 0.0000000000000000, 0.0098913458659069 ] forces: - [ -0.0116748500000000, 0.0126213100000000, 0.0002578600000000 ] - [ -0.0049421400000000, -0.0074257600000000, -0.0008468500000000 ] - [ -0.0005728500000000, 0.0004114700000000, 0.0077644200000000 ] - [ -0.0000647700000000, 0.0001266300000000, 0.0034533600000000 ] - [ 0.0004170400000000, -0.0058172400000000, 0.0063316300000000 ] - [ 0.0011157100000000, 0.0080099600000000, 0.0050923100000000 ] - [ 0.0200114600000000, 0.0075250000000000, -0.0721881400000000 ] - [ 0.0007412400000000, -0.0016284100000000, -0.0048110500000000 ] - [ 0.0078170900000000, 0.0098076300000000, 0.0012660400000000 ] - [ 0.0052175300000000, -0.0062473500000000, 0.0008407200000000 ] - [ 0.0008037600000000, 0.0005969300000000, 0.0061907600000000 ] - [ 0.0002104500000000, -0.0000775000000000, 0.0029522600000000 ] - [ -0.0005747100000000, -0.0015231500000000, 0.0035290800000000 ] - [ -0.0005597300000000, 0.0031860000000000, 0.0028928500000000 ] - [ -0.0065796400000000, 0.0031400400000000, -0.0090723800000000 ] - [ -0.0008499100000000, -0.0011344200000000, -0.0038581100000000 ] - [ 0.0120824700000000, -0.0035667300000000, -0.0119808500000000 ] - [ 0.0049253100000000, 0.0044004100000000, -0.0178008900000000 ] - [ 0.0059779600000000, -0.0044327600000000, 0.0122093800000000 ] - [ 0.0005660600000000, -0.0006026300000000, 0.0015441900000000 ] - [ -0.0015360700000000, -0.0082685600000000, 0.0352684700000000 ] - [ 0.0004302200000000, 0.0014499900000000, 0.0023970300000000 ] - [ -0.0008695200000000, 0.0013110500000000, 0.0065708800000000 ] - [ -0.0004570700000000, -0.0010655100000000, 0.0067770500000000 ] - [ -0.0081896300000000, -0.0056288400000000, 0.0170171900000000 ] - [ -0.0008770200000000, -0.0003647500000000, 0.0024309400000000 ] - [ -0.0107229400000000, -0.0160211600000000, -0.0062891700000000 ] - [ -0.0070002600000000, 0.0105396300000000, -0.0135911900000000 ] - [ 0.0003838300000000, 0.0000869400000000, 0.0052911200000000 ] - [ 0.0007526400000000, 0.0000446200000000, 0.0052810200000000 ] - [ -0.0020344700000000, -0.0004620100000000, 0.0038821400000000 ] - [ -0.0003094000000000, 0.0004736400000000, 0.0025238100000000 ] - [ -0.0004737100000000, -0.0038068600000000, 0.0155322200000000 ] - [ 0.0001865700000000, 0.0004999500000000, 0.0037150300000000 ] - [ -0.0021300400000000, 0.0028332100000000, -0.0001520100000000 ] - [ -0.0007146200000000, -0.0011688500000000, 0.0019597900000000 ] - [ 0.0067162100000000, -0.0009052600000000, -0.0037572500000000 ] - [ 0.0005492800000000, 0.0006641200000000, -0.0009552600000000 ] - [ 0.0002130100000000, 0.0005317800000000, -0.0017558700000000 ] - [ 0.0001518200000000, 0.0002991200000000, -0.0014243100000000 ] - [ -0.0005880600000000, -0.0000114200000000, 0.0050773900000000 ] - [ -0.0025175000000000, 0.0000566600000000, 0.0131103300000000 ] - [ -0.0006034200000000, 0.0002574100000000, -0.0025578800000000 ] - [ -0.0001703300000000, -0.0017218100000000, -0.0047677900000000 ] - [ -0.0090940700000000, -0.0072596700000000, -0.0063821600000000 ] - [ -0.0016078600000000, 0.0016258500000000, 0.0008211100000000 ] - [ 0.0002223700000000, -0.0051437200000000, -0.0015558600000000 ] - [ 0.0011382500000000, 0.0089647100000000, -0.0046555900000000 ] - [ 0.0009605900000000, 0.0022096400000000, -0.0076908600000000 ] - [ 0.0004117800000000, 0.0004133500000000, -0.0021171300000000 ] - [ -0.0006945200000000, 0.0009154900000000, -0.0054142900000000 ] - [ -0.0002091800000000, -0.0015076900000000, -0.0013004800000000 ] - [ -0.0047523800000000, 0.0018872500000000, 0.0102423400000000 ] - [ -0.0012305300000000, -0.0036734400000000, 0.0028615300000000 ] - [ -0.0001147100000000, 0.0087915300000000, 0.0142078600000000 ] - [ -0.0001110400000000, 0.0020774000000000, 0.0018950200000000 ] - [ 0.0003740700000000, 0.0015665000000000, -0.0050542600000000 ] - [ -0.0000859800000000, 0.0003824800000000, -0.0025484000000000 ] - [ -0.0002125700000000, -0.0037867000000000, -0.0074314500000000 ] - [ -0.0001712500000000, 0.0000418400000000, -0.0033287400000000 ] - [ 0.0076570900000000, -0.0073437800000000, -0.0095484300000000 ] - [ 0.0006553400000000, 0.0030157000000000, -0.0005202800000000 ] - [ 0.0005517600000000, 0.0001322600000000, -0.0028755000000000 ] - [ -0.0000242600000000, -0.0021068000000000, -0.0057396100000000 ] - [ -0.0006061800000000, 0.0010246000000000, 0.0069631200000000 ] - [ -0.0021045400000000, 0.0015705200000000, 0.0145256400000000 ] - [ -0.0038990800000000, 0.0010975400000000, -0.0041445500000000 ] - [ -0.0002392600000000, -0.0016316600000000, -0.0016340500000000 ] - [ -0.0002432600000000, 0.0004471400000000, -0.0024139500000000 ] - [ -0.0002514800000000, 0.0004187900000000, -0.0026002600000000 ] - [ 0.0022522900000000, 0.0033671700000000, -0.0011346200000000 ] - [ 0.0012111500000000, -0.0021960800000000, 0.0007254600000000 ] - [ 0.0022479500000000, -0.0019092800000000, 0.0102988400000000 ] - [ 0.0005980100000000, -0.0018050100000000, 0.0018426400000000 ] - [ -0.0004615900000000, -0.0018237300000000, -0.0037022800000000 ] - [ -0.0004678900000000, -0.0006427000000000, -0.0024754500000000 ] - [ -0.0005182100000000, 0.0016016000000000, -0.0043162100000000 ] - [ -0.0000107900000000, 0.0003373700000000, -0.0019171500000000 ] - [ -0.0002738300000000, 0.0000426000000000, 0.0017608000000000 ] - [ 0.0000389900000000, 0.0016815500000000, 0.0005262000000000 ] - [ 0.0011159100000000, -0.0012094400000000, -0.0023036300000000 ] - [ 0.0005583500000000, 0.0002426000000000, -0.0007275900000000 ] - [ 0.0016071500000000, 0.0024167800000000, 0.0014805200000000 ] - [ 0.0015247600000000, -0.0005446900000000, 0.0039941500000000 ] - [ -0.0005741700000000, 0.0014031600000000, -0.0038156200000000 ] - [ -0.0003264800000000, 0.0007619400000000, -0.0019331700000000 ] - [ 0.0004888500000000, -0.0028425700000000, 0.0008077400000000 ] - [ 0.0004134600000000, -0.0000028800000000, 0.0009783300000000 ]- atom: 7 displacement: [ 0.0014701282124378, 0.0000000000000000, -0.0098913458659069 ] forces: - [ 0.0115355800000000, -0.0126851900000000, -0.0001805700000000 ] - [ 0.0048640600000000, 0.0072568200000000, 0.0008847400000000 ] - [ 0.0007575200000000, 0.0000392000000000, -0.0074940500000000 ] - [ 0.0002551200000000, 0.0003262000000000, -0.0031757000000000 ] - [ -0.0003065400000000, 0.0058328000000000, -0.0064306200000000 ] - [ -0.0010140800000000, -0.0080839900000000, -0.0052133700000000 ] - [ -0.0201483800000000, -0.0092427900000000, 0.0705216700000000 ] - [ -0.0008182700000000, 0.0011995300000000, 0.0045161700000000 ] - [ -0.0076972000000000, -0.0101870200000000, -0.0009848400000000 ] - [ -0.0050849100000000, 0.0057901400000000, -0.0006351600000000 ] - [ -0.0009127600000000, -0.0006203500000000, -0.0060643100000000 ] - [ -0.0003233600000000, 0.0000514100000000, -0.0028311100000000 ] - [ 0.0003864400000000, 0.0019867900000000, -0.0037865800000000 ] - [ 0.0003726000000000, -0.0027451000000000, -0.0031456200000000 ] - [ 0.0065913800000000, -0.0032947600000000, 0.0089031700000000 ] - [ 0.0008835700000000, 0.0009769500000000, 0.0037260400000000 ] - [ -0.0117576300000000, 0.0034410000000000, 0.0120476200000000 ] - [ -0.0045763700000000, -0.0043746600000000, 0.0178895600000000 ] - [ -0.0062000300000000, 0.0042806700000000, -0.0123254100000000 ] - [ -0.0007308000000000, 0.0004627500000000, -0.0016103900000000 ] - [ 0.0017151400000000, 0.0079200000000000, -0.0347278200000000 ] - [ -0.0002615100000000, -0.0018064300000000, -0.0022479300000000 ] - [ 0.0009801100000000, -0.0011186600000000, -0.0069681800000000 ] - [ 0.0005716500000000, 0.0012168700000000, -0.0071669600000000 ] - [ 0.0081784000000000, 0.0058139100000000, -0.0167152400000000 ] - [ 0.0007606700000000, 0.0005370900000000, -0.0019938800000000 ] - [ 0.0105693600000000, 0.0156208200000000, 0.0062259000000000 ] - [ 0.0068157100000000, -0.0108763700000000, 0.0135878000000000 ] - [ -0.0002189300000000, -0.0002166100000000, -0.0051943600000000 ] - [ -0.0005884500000000, -0.0002009100000000, -0.0051844300000000 ] - [ 0.0017027700000000, 0.0004051800000000, -0.0038920700000000 ] - [ -0.0000042300000000, -0.0005138700000000, -0.0025205500000000 ] - [ 0.0006251200000000, 0.0036132500000000, -0.0153998900000000 ] - [ 0.0000693800000000, -0.0007909700000000, -0.0036173200000000 ] - [ 0.0022235300000000, -0.0025792700000000, 0.0000175500000000 ] - [ 0.0007982500000000, 0.0014304600000000, -0.0021037500000000 ] - [ -0.0066185500000000, 0.0009166700000000, 0.0038401100000000 ] - [ -0.0005000800000000, -0.0006433900000000, 0.0010658300000000 ] - [ -0.0007128200000000, -0.0004992500000000, 0.0021266300000000 ] - [ -0.0006503400000000, -0.0002538000000000, 0.0017933400000000 ] - [ 0.0004482100000000, 0.0000397000000000, -0.0046852600000000 ] - [ 0.0022458800000000, -0.0001362300000000, -0.0127436400000000 ] - [ 0.0004471900000000, -0.0001052100000000, 0.0022768900000000 ] - [ 0.0000171200000000, 0.0018874100000000, 0.0044877800000000 ] - [ 0.0091862700000000, 0.0075373300000000, 0.0067144700000000 ] - [ 0.0016962900000000, -0.0013261100000000, -0.0003484700000000 ] - [ -0.0003808100000000, 0.0049137400000000, 0.0016180400000000 ] - [ -0.0012884500000000, -0.0090617200000000, 0.0046495800000000 ] - [ -0.0009267200000000, -0.0018982700000000, 0.0076372600000000 ] - [ -0.0003741000000000, -0.0001189100000000, 0.0020936200000000 ] - [ 0.0006405400000000, -0.0009391400000000, 0.0055701600000000 ] - [ 0.0001454400000000, 0.0015034400000000, 0.0014152100000000 ] - [ 0.0044057000000000, -0.0017679100000000, -0.0108232300000000 ] - [ 0.0008840800000000, 0.0033799900000000, -0.0032526000000000 ] - [ 0.0004008600000000, -0.0078447100000000, -0.0126645400000000 ] - [ 0.0002572600000000, -0.0019901900000000, -0.0019899100000000 ] - [ -0.0005456200000000, -0.0015982200000000, 0.0051313100000000 ] - [ -0.0000822700000000, -0.0003983100000000, 0.0026116700000000 ] - [ 0.0003848100000000, 0.0039326800000000, 0.0069173300000000 ] - [ 0.0003403200000000, 0.0001357100000000, 0.0028274700000000 ] - [ -0.0077521700000000, 0.0074812000000000, 0.0098024800000000 ] - [ -0.0008299300000000, -0.0028369900000000, 0.0009940300000000 ] - [ -0.0003846200000000, -0.0001615400000000, 0.0027914500000000 ] - [ 0.0001904300000000, 0.0020961500000000, 0.0056607200000000 ] - [ 0.0004519400000000, -0.0009346400000000, -0.0068162100000000 ] - [ 0.0020564000000000, -0.0016138000000000, -0.0143614100000000 ] - [ 0.0042134900000000, -0.0013709500000000, 0.0044903100000000 ] - [ 0.0005863600000000, 0.0013388500000000, 0.0019934100000000 ] - [ 0.0003058400000000, -0.0004625800000000, 0.0022872000000000 ] - [ 0.0003123900000000, -0.0004235900000000, 0.0024699700000000 ] - [ -0.0022990800000000, -0.0030883300000000, 0.0011376200000000 ] - [ -0.0012492100000000, 0.0024993000000000, -0.0007217400000000 ] - [ -0.0021203600000000, 0.0017229400000000, -0.0104207900000000 ] - [ -0.0004313500000000, 0.0015786800000000, -0.0019090300000000 ] - [ 0.0003680200000000, 0.0021025000000000, 0.0032076500000000 ] - [ 0.0003760300000000, 0.0009285500000000, 0.0019858800000000 ] - [ 0.0006778000000000, -0.0014469700000000, 0.0045852800000000 ] - [ 0.0001680300000000, -0.0001720600000000, 0.0021780800000000 ] - [ 0.0004119900000000, -0.0000181400000000, -0.0020929200000000 ] - [ 0.0001055100000000, -0.0016609200000000, -0.0008821800000000 ] - [ -0.0006248000000000, 0.0012563800000000, 0.0019310800000000 ] - [ -0.0000567600000000, -0.0002077100000000, 0.0003485700000000 ] - [ -0.0016542500000000, -0.0023756400000000, -0.0015926100000000 ] - [ -0.0015751400000000, 0.0005712600000000, -0.0041265700000000 ] - [ 0.0004909200000000, -0.0011256400000000, 0.0039288100000000 ] - [ 0.0002384700000000, -0.0004963200000000, 0.0020514200000000 ] - [ -0.0007435200000000, 0.0025574900000000, -0.0008814900000000 ] - [ -0.0006655900000000, -0.0002676800000000, -0.0010181700000000 ]- atom: 17 displacement: [ 0.0099999999959232, 0.0000000000000000, 0.0000002855446085 ] forces: - [ -0.0093695500000000, -0.0027725600000000, -0.0002827900000000 ] - [ -0.0010499200000000, -0.0006600000000000, 0.0001683500000000 ] - [ -0.0001182600000000, -0.0000428900000000, -0.0004844300000000 ] - [ 0.0003062700000000, 0.0006919900000000, -0.0013262600000000 ] - [ 0.0115624800000000, 0.0034992800000000, -0.0330570700000000 ] - [ 0.0002499900000000, 0.0004053300000000, -0.0004078400000000 ] - [ 0.0021782800000000, -0.0196502500000000, 0.0123044500000000 ] - [ 0.0082853500000000, 0.0129901600000000, 0.0059449200000000 ] - [ 0.0025757100000000, 0.0008077100000000, -0.0013555200000000 ] - [ 0.0011851900000000, -0.0008984000000000, 0.0001563300000000 ] - [ 0.0002365700000000, 0.0002129600000000, 0.0001884900000000 ] - [ -0.0000641900000000, -0.0002684500000000, -0.0004949400000000 ] - [ 0.0027261600000000, -0.0001795300000000, 0.0137638700000000 ] - [ -0.0004555700000000, 0.0008078400000000, -0.0001961600000000 ] - [ 0.0020220700000000, 0.0069496300000000, -0.0033363700000000 ] - [ 0.0002589500000000, -0.0230302500000000, -0.0210164800000000 ] - [ -0.2043725000000000, 0.0145406500000000, 0.0115618100000000 ] - [ -0.0008424600000000, -0.0000731900000000, 0.0015084900000000 ] - [ -0.0056692800000000, 0.0048861000000000, 0.0008567300000000 ] - [ -0.0077546700000000, 0.0054846100000000, -0.0068254900000000 ] - [ -0.0001653400000000, -0.0008455500000000, 0.0010182400000000 ] - [ 0.0002239400000000, -0.0001158700000000, 0.0000655600000000 ] - [ 0.0008498400000000, -0.0004969200000000, -0.0006874900000000 ] - [ 0.0001673000000000, 0.0001591500000000, -0.0005221900000000 ] - [ 0.0043437000000000, 0.0008350300000000, -0.0007043600000000 ] - [ 0.0039199600000000, 0.0001330700000000, 0.0018248700000000 ] - [ 0.0934588300000000, 0.0283971900000000, 0.0029578900000000 ] - [ 0.0011935400000000, -0.0025472100000000, 0.0007871600000000 ] - [ -0.0010523000000000, -0.0014337600000000, -0.0014194300000000 ] - [ 0.0000477500000000, 0.0005409800000000, -0.0007824700000000 ] - [ -0.0003906300000000, 0.0005227700000000, -0.0016094300000000 ] - [ -0.0003941300000000, -0.0003765900000000, -0.0027137000000000 ] - [ 0.0182377300000000, 0.0004305400000000, 0.0003161700000000 ] - [ 0.0023970700000000, 0.0003622700000000, -0.0007836300000000 ] - [ 0.0117887500000000, -0.0006219700000000, 0.0014988600000000 ] - [ 0.0008716500000000, -0.0018290400000000, -0.0007296700000000 ] - [ 0.0008225400000000, 0.0002704900000000, 0.0000346300000000 ] - [ 0.0007605100000000, 0.0001235800000000, 0.0002267600000000 ] - [ -0.0002147800000000, 0.0001483100000000, 0.0006394200000000 ] - [ -0.0001711600000000, -0.0002970900000000, 0.0003816600000000 ] - [ 0.0211736900000000, 0.0100877900000000, 0.0136402000000000 ] - [ 0.0017259400000000, -0.0001872000000000, -0.0002018600000000 ] - [ 0.0017052800000000, 0.0005834300000000, 0.0030767500000000 ] - [ 0.0005711900000000, -0.0007736400000000, -0.0006454300000000 ] - [ 0.0016724800000000, 0.0005565400000000, 0.0014600800000000 ] - [ 0.0188639200000000, 0.0068871500000000, -0.0030517700000000 ] - [ -0.0004771700000000, -0.0001483300000000, -0.0004122600000000 ] - [ -0.0000239100000000, 0.0003929100000000, 0.0001069500000000 ] - [ -0.0001465000000000, 0.0001478500000000, -0.0001548100000000 ] - [ -0.0002089400000000, 0.0002007400000000, 0.0004034900000000 ] - [ 0.0005350300000000, 0.0023271900000000, 0.0025705500000000 ] - [ -0.0012710000000000, -0.0006851200000000, 0.0005615800000000 ] - [ 0.0197668300000000, -0.0126499800000000, -0.0080520400000000 ] - [ -0.0005471400000000, -0.0006542700000000, -0.0006117500000000 ] - [ 0.0000717300000000, 0.0002651400000000, -0.0029228000000000 ] - [ -0.0002020000000000, -0.0002744900000000, -0.0008396900000000 ] - [ -0.0006955300000000, -0.0001863200000000, -0.0003901300000000 ] - [ -0.0004456400000000, -0.0003044900000000, 0.0004252600000000 ] - [ -0.0001389800000000, 0.0001173600000000, -0.0002009300000000 ] - [ -0.0000273300000000, 0.0002188500000000, -0.0000497500000000 ] - [ -0.0014531200000000, 0.0012150500000000, 0.0006910000000000 ] - [ -0.0095759700000000, -0.0028247700000000, -0.0001402600000000 ] - [ -0.0021747100000000, -0.0009158000000000, 0.0010816500000000 ] - [ -0.0002792400000000, -0.0001510700000000, -0.0000671300000000 ] - [ -0.0109094700000000, 0.0004999400000000, 0.0028349900000000 ] - [ -0.0019169100000000, 0.0011111600000000, -0.0000812200000000 ] - [ -0.0002643200000000, -0.0000949100000000, 0.0002715300000000 ] - [ -0.0003852200000000, -0.0000381300000000, 0.0006463700000000 ] - [ 0.0001156600000000, 0.0004203800000000, -0.0006835600000000 ] - [ -0.0000328500000000, -0.0002761900000000, 0.0000674600000000 ] - [ -0.0108587800000000, -0.0032437900000000, -0.0018567200000000 ] - [ -0.0004742000000000, 0.0000968100000000, -0.0004010000000000 ] - [ -0.0116716300000000, -0.0040827200000000, 0.0001755000000000 ] - [ -0.0030396000000000, 0.0025177100000000, -0.0003860100000000 ] - [ 0.0000756900000000, 0.0004106600000000, 0.0004865100000000 ] - [ -0.0001818000000000, 0.0006216800000000, 0.0008102900000000 ] - [ 0.0005389300000000, 0.0000781400000000, -0.0009220000000000 ] - [ 0.0008986600000000, -0.0011463400000000, 0.0019546800000000 ] - [ -0.0001229400000000, -0.0011164200000000, 0.0015064400000000 ] - [ -0.0004975600000000, 0.0023488100000000, 0.0031819100000000 ] - [ -0.0004344600000000, -0.0008035800000000, -0.0006916300000000 ] - [ 0.0023554600000000, 0.0030266100000000, -0.0026142300000000 ] - [ 0.0485185900000000, -0.0294011500000000, 0.0072954800000000 ] - [ 0.0001683300000000, -0.0005630600000000, -0.0003104600000000 ] - [ 0.0001706700000000, -0.0001533900000000, 0.0005445500000000 ] - [ 0.0002100200000000, 0.0000525900000000, 0.0013072400000000 ] - [ 0.0008275300000000, -0.0002908800000000, 0.0028534700000000 ] - [ -0.0000941200000000, -0.0002785300000000, 0.0002645800000000 ]- atom: 17 displacement: [ -0.0099999999959232, 0.0000000000000000, -0.0000002855446085 ] forces: - [ 0.0093213100000000, 0.0026334900000000, 0.0001579500000000 ] - [ 0.0010138500000000, 0.0005036300000000, -0.0000628300000000 ] - [ 0.0003074200000000, 0.0004906100000000, 0.0007399000000000 ] - [ -0.0001209900000000, -0.0002328600000000, 0.0015787600000000 ] - [ -0.0114485400000000, -0.0034681100000000, 0.0325970000000000 ] - [ -0.0001462700000000, -0.0004276500000000, 0.0002953300000000 ] - [ -0.0023411400000000, 0.0190229700000000, -0.0124680800000000 ] - [ -0.0084241800000000, -0.0133251300000000, -0.0061442900000000 ] - [ -0.0024954800000000, -0.0012481100000000, 0.0016685100000000 ] - [ -0.0011069400000000, 0.0004679000000000, 0.0001237900000000 ] - [ -0.0003504900000000, -0.0002441700000000, -0.0000820800000000 ] - [ -0.0000472000000000, 0.0002474900000000, 0.0005986400000000 ] - [ -0.0028888800000000, 0.0006137100000000, -0.0141335200000000 ] - [ 0.0002741200000000, -0.0003493800000000, -0.0000749700000000 ] - [ -0.0018670200000000, -0.0070928400000000, 0.0032539600000000 ] - [ -0.0001667400000000, 0.0230659900000000, 0.0210828900000000 ] - [ 0.2071155600000000, -0.0158541100000000, -0.0108174500000000 ] - [ 0.0011543000000000, 0.0000279800000000, -0.0015067000000000 ] - [ 0.0054873900000000, -0.0049853300000000, -0.0008830000000000 ] - [ 0.0075780800000000, -0.0056000400000000, 0.0067399100000000 ] - [ 0.0003187300000000, 0.0004867000000000, -0.0008664800000000 ] - [ -0.0000622200000000, -0.0002633800000000, 0.0000769000000000 ] - [ -0.0007353800000000, 0.0006663300000000, 0.0002482600000000 ] - [ -0.0000529100000000, 0.0000191800000000, 0.0000946200000000 ] - [ -0.0044458400000000, -0.0007215000000000, 0.0010857200000000 ] - [ -0.0040357600000000, 0.0000949400000000, -0.0014432300000000 ] - [ -0.0937414800000000, -0.0287388400000000, -0.0030825200000000 ] - [ -0.0013584100000000, 0.0021830500000000, -0.0009276900000000 ] - [ 0.0012186900000000, 0.0012891400000000, 0.0014910300000000 ] - [ 0.0001176200000000, -0.0006832600000000, 0.0008688900000000 ] - [ 0.0000879000000000, -0.0005562400000000, 0.0015968400000000 ] - [ 0.0000842200000000, 0.0003208500000000, 0.0027138300000000 ] - [ -0.0180887400000000, -0.0004999600000000, -0.0004825200000000 ] - [ -0.0021482800000000, -0.0006166400000000, 0.0008709100000000 ] - [ -0.0116042500000000, 0.0010690800000000, -0.0011434800000000 ] - [ -0.0007866800000000, 0.0021017300000000, 0.0006057500000000 ] - [ -0.0007718800000000, -0.0002704300000000, 0.0000910200000000 ] - [ -0.0007170500000000, -0.0000993000000000, -0.0001176400000000 ] - [ -0.0002859000000000, -0.0001074700000000, -0.0002606500000000 ] - [ -0.0003283700000000, 0.0003325600000000, -0.0000058100000000 ] - [ -0.0216117400000000, -0.0103383100000000, -0.0136251100000000 ] - [ -0.0018477400000000, 0.0001967000000000, 0.0005729200000000 ] - [ -0.0018376000000000, -0.0004395600000000, -0.0033414800000000 ] - [ -0.0007225600000000, 0.0009284200000000, 0.0003688500000000 ] - [ -0.0015666300000000, -0.0002761200000000, -0.0009772100000000 ] - [ -0.0189872500000000, -0.0065659500000000, 0.0034985600000000 ] - [ 0.0003467100000000, -0.0000407800000000, 0.0004978800000000 ] - [ -0.0001355800000000, -0.0006051200000000, -0.0000366600000000 ] - [ 0.0001826100000000, 0.0001488400000000, 0.0001384600000000 ] - [ 0.0002436400000000, 0.0000953800000000, -0.0004136200000000 ] - [ -0.0005712300000000, -0.0023177700000000, -0.0024321500000000 ] - [ 0.0012128800000000, 0.0006595000000000, -0.0004250900000000 ] - [ -0.0166056100000000, 0.0111425800000000, 0.0072611400000000 ] - [ 0.0002033300000000, 0.0003702300000000, 0.0002401000000000 ] - [ 0.0001074600000000, -0.0001847400000000, 0.0027914100000000 ] - [ 0.0003555900000000, 0.0003612400000000, 0.0007216300000000 ] - [ 0.0005257500000000, 0.0001666400000000, 0.0004784000000000 ] - [ 0.0002758000000000, 0.0002708600000000, -0.0003366400000000 ] - [ 0.0003154700000000, 0.0000538800000000, -0.0002873600000000 ] - [ 0.0002037200000000, -0.0000487500000000, -0.0004396300000000 ] - [ 0.0012785400000000, -0.0010308000000000, -0.0001979100000000 ] - [ 0.0093835400000000, 0.0029419400000000, 0.0006657500000000 ] - [ 0.0023304900000000, 0.0008827600000000, -0.0011321700000000 ] - [ 0.0004488000000000, 0.0001373000000000, 0.0000028000000000 ] - [ 0.0107641100000000, -0.0004421000000000, -0.0027531800000000 ] - [ 0.0017467600000000, -0.0010295600000000, 0.0001921000000000 ] - [ 0.0006100900000000, -0.0001941600000000, 0.0000936500000000 ] - [ 0.0007356600000000, -0.0002477900000000, -0.0002821600000000 ] - [ -0.0000514800000000, -0.0004314500000000, 0.0005681600000000 ] - [ 0.0000941200000000, 0.0002645200000000, -0.0001884400000000 ] - [ 0.0108397900000000, 0.0035834700000000, 0.0019195000000000 ] - [ 0.0004352300000000, 0.0001857300000000, 0.0004163600000000 ] - [ 0.0118751200000000, 0.0039238700000000, -0.0002700000000000 ] - [ 0.0032077300000000, -0.0027292200000000, 0.0002993200000000 ] - [ -0.0001684500000000, -0.0001198100000000, -0.0009670400000000 ] - [ 0.0000894600000000, -0.0003381000000000, -0.0013019400000000 ] - [ -0.0003828600000000, 0.0000879900000000, 0.0012092600000000 ] - [ -0.0007467000000000, 0.0013133800000000, -0.0016979900000000 ] - [ 0.0002231000000000, 0.0011375900000000, -0.0018509800000000 ] - [ 0.0006406300000000, -0.0023362800000000, -0.0035664100000000 ] - [ 0.0009120500000000, 0.0008428600000000, 0.0003190000000000 ] - [ -0.0018686800000000, -0.0030081100000000, 0.0022636100000000 ] - [ -0.0539298700000000, 0.0315356400000000, -0.0073986600000000 ] - [ -0.0002215200000000, 0.0005799900000000, 0.0001959400000000 ] - [ -0.0002578200000000, 0.0004223700000000, -0.0004195700000000 ] - [ -0.0002959300000000, 0.0002150000000000, -0.0011830300000000 ] - [ -0.0011259600000000, 0.0000290100000000, -0.0029283300000000 ] - [ -0.0001651500000000, -0.0000057700000000, -0.0003394900000000 ]- atom: 17 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0037924400000000, -0.0318579200000000, -0.0084490500000000 ] - [ -0.0000245600000000, 0.0065452300000000, 0.0005128200000000 ] - [ -0.0005322900000000, 0.0005611100000000, 0.0015074300000000 ] - [ 0.0012843700000000, 0.0000697100000000, -0.0027691600000000 ] - [ 0.0029039000000000, -0.0238395000000000, 0.0016885900000000 ] - [ -0.0002912200000000, 0.0071915300000000, 0.0001695200000000 ] - [ -0.0221399900000000, 0.0186639600000000, -0.0069303900000000 ] - [ 0.0202587700000000, 0.0189055200000000, 0.0073539200000000 ] - [ 0.0001935800000000, -0.0059951500000000, 0.0005957000000000 ] - [ 0.0003822600000000, 0.0038561300000000, -0.0003030500000000 ] - [ 0.0006148300000000, 0.0005460600000000, 0.0005943600000000 ] - [ -0.0008002200000000, -0.0006183900000000, -0.0014596300000000 ] - [ 0.0050385600000000, -0.0119024000000000, 0.0016507200000000 ] - [ -0.0010883400000000, 0.0057735400000000, -0.0005543600000000 ] - [ 0.0164770800000000, 0.0177482400000000, -0.0070787900000000 ] - [ -0.0207260000000000, 0.0180886300000000, 0.0155412600000000 ] - [ 0.0150740200000000, -0.2179462100000000, -0.0160593000000000 ] - [ 0.0001039400000000, 0.0170226900000000, 0.0019561300000000 ] - [ -0.0030505000000000, 0.0204451000000000, 0.0171835100000000 ] - [ -0.0097154900000000, 0.0229658800000000, -0.0317831000000000 ] - [ -0.0000396400000000, 0.0023593200000000, -0.0041306700000000 ] - [ 0.0006499500000000, -0.0004693200000000, 0.0026292800000000 ] - [ 0.0007568200000000, -0.0029851200000000, -0.0002382100000000 ] - [ -0.0001010400000000, 0.0032021500000000, -0.0006835400000000 ] - [ 0.0004950700000000, 0.0011755900000000, 0.0023582300000000 ] - [ -0.0007954900000000, 0.0019503200000000, -0.0025585800000000 ] - [ -0.0272068600000000, -0.0265890300000000, -0.0009618500000000 ] - [ 0.0013529800000000, 0.0100358400000000, 0.0010890100000000 ] - [ -0.0016002500000000, -0.0060759900000000, -0.0009560600000000 ] - [ 0.0008846500000000, 0.0052179500000000, -0.0004349200000000 ] - [ 0.0001942700000000, 0.0010718200000000, -0.0048460000000000 ] - [ -0.0006993300000000, 0.0010567600000000, 0.0023447700000000 ] - [ 0.0042665000000000, 0.0581645100000000, -0.0261206400000000 ] - [ 0.0001262500000000, -0.0110906400000000, -0.0007144600000000 ] - [ 0.0004007400000000, 0.0095964700000000, -0.0003384300000000 ] - [ 0.0009438400000000, -0.0097405200000000, -0.0024522600000000 ] - [ 0.0000189100000000, 0.0015299000000000, 0.0004606700000000 ] - [ -0.0000589300000000, -0.0008049500000000, -0.0003012600000000 ] - [ -0.0002717300000000, 0.0014013200000000, 0.0002660900000000 ] - [ -0.0004024200000000, -0.0014503900000000, 0.0005970100000000 ] - [ 0.0105094300000000, 0.0627903600000000, 0.0482348800000000 ] - [ -0.0005049600000000, -0.0108794900000000, -0.0006984700000000 ] - [ -0.0013792400000000, 0.0069838900000000, 0.0062697200000000 ] - [ 0.0009270600000000, -0.0043921200000000, -0.0032581100000000 ] - [ 0.0013847200000000, -0.0092818300000000, -0.0006500500000000 ] - [ 0.0114845000000000, 0.0210470300000000, 0.0072269900000000 ] - [ 0.0007482500000000, 0.0032464800000000, -0.0024037700000000 ] - [ -0.0003343400000000, -0.0024567100000000, 0.0000613500000000 ] - [ 0.0001936200000000, -0.0012371600000000, 0.0007949100000000 ] - [ -0.0004000000000000, 0.0013164700000000, -0.0003628800000000 ] - [ 0.0037590100000000, 0.0010237700000000, -0.0027180800000000 ] - [ -0.0047126800000000, -0.0037886200000000, 0.0033891400000000 ] - [ 0.0026720100000000, 0.0209616500000000, -0.0013041900000000 ] - [ -0.0003889600000000, -0.0061877300000000, 0.0005824200000000 ] - [ 0.0034264500000000, 0.0010750000000000, 0.0069501300000000 ] - [ -0.0004600900000000, -0.0023765400000000, -0.0041124700000000 ] - [ -0.0004378800000000, 0.0007588600000000, -0.0009867800000000 ] - [ -0.0000707000000000, -0.0015604700000000, 0.0014326500000000 ] - [ -0.0000451300000000, 0.0014028100000000, 0.0006134600000000 ] - [ 0.0001494500000000, -0.0008985100000000, -0.0005151900000000 ] - [ 0.0006978100000000, -0.0031754600000000, -0.0004321500000000 ] - [ -0.0017438800000000, 0.0045986300000000, 0.0006413700000000 ] - [ 0.0000630100000000, 0.0028454100000000, 0.0007377100000000 ] - [ 0.0000424600000000, -0.0018505700000000, -0.0006284100000000 ] - [ 0.0009409200000000, 0.0044255900000000, -0.0005630200000000 ] - [ -0.0001076800000000, -0.0055074500000000, -0.0005130800000000 ] - [ -0.0000223600000000, -0.0009680200000000, 0.0008653600000000 ] - [ 0.0005314300000000, 0.0003805200000000, 0.0000311800000000 ] - [ 0.0003512700000000, 0.0018500300000000, -0.0008966600000000 ] - [ 0.0001051600000000, -0.0016657500000000, 0.0001870300000000 ] - [ 0.0011934600000000, 0.0037058700000000, 0.0000097900000000 ] - [ -0.0001152700000000, -0.0028756400000000, -0.0005732600000000 ] - [ -0.0001135100000000, 0.0069526900000000, -0.0014467300000000 ] - [ 0.0002852600000000, -0.0070098200000000, 0.0020578000000000 ] - [ 0.0000547900000000, 0.0018676400000000, 0.0010909700000000 ] - [ 0.0000131600000000, -0.0011336400000000, -0.0006195100000000 ] - [ -0.0001046100000000, 0.0015523200000000, -0.0047410200000000 ] - [ 0.0011459000000000, -0.0044747800000000, 0.0057854700000000 ] - [ -0.0032742300000000, 0.0014992900000000, 0.0057840800000000 ] - [ 0.0005966300000000, -0.0025178900000000, -0.0025332100000000 ] - [ -0.0031315500000000, -0.0034751200000000, -0.0021992700000000 ] - [ 0.0074627800000000, 0.0021512100000000, 0.0038938200000000 ] - [ -0.0109917800000000, 0.0271709600000000, -0.0000013500000000 ] - [ -0.0007618200000000, -0.0050777500000000, -0.0016580600000000 ] - [ -0.0002558000000000, -0.0017243700000000, 0.0010352000000000 ] - [ 0.0003475600000000, 0.0015214500000000, 0.0002288900000000 ] - [ 0.0009406600000000, 0.0025852100000000, -0.0054654800000000 ] - [ 0.0002451900000000, -0.0029774200000000, 0.0030015600000000 ]- atom: 17 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0037493600000000, 0.0317602300000000, 0.0084846800000000 ] - [ -0.0000119300000000, -0.0066986700000000, -0.0003674000000000 ] - [ 0.0007219700000000, -0.0001017300000000, -0.0012325300000000 ] - [ -0.0010874700000000, 0.0003798900000000, 0.0030309700000000 ] - [ -0.0028856400000000, 0.0237183700000000, -0.0016783100000000 ] - [ 0.0004225300000000, -0.0072099500000000, -0.0003148100000000 ] - [ 0.0222860200000000, -0.0192357900000000, 0.0067576400000000 ] - [ -0.0201278000000000, -0.0192248700000000, -0.0075202100000000 ] - [ -0.0001173300000000, 0.0055672600000000, -0.0003270800000000 ] - [ -0.0003005600000000, -0.0042892800000000, 0.0005938800000000 ] - [ -0.0007290200000000, -0.0005643200000000, -0.0004721700000000 ] - [ 0.0006816500000000, 0.0005852300000000, 0.0015724300000000 ] - [ -0.0051779800000000, 0.0123170100000000, -0.0018329900000000 ] - [ 0.0008873200000000, -0.0053071700000000, 0.0002656900000000 ] - [ -0.0165158400000000, -0.0179519500000000, 0.0070401300000000 ] - [ 0.0205130300000000, -0.0181849700000000, -0.0154947500000000 ] - [ -0.0152286800000000, 0.2183378600000000, 0.0121623400000000 ] - [ 0.0002051100000000, -0.0170471800000000, -0.0019763600000000 ] - [ 0.0028495700000000, -0.0204839500000000, -0.0173651600000000 ] - [ 0.0094692100000000, -0.0229696800000000, 0.0314418700000000 ] - [ 0.0002030700000000, -0.0027056100000000, 0.0042985000000000 ] - [ -0.0004792500000000, 0.0000761800000000, -0.0024605500000000 ] - [ -0.0006389100000000, 0.0031534500000000, -0.0001725500000000 ] - [ 0.0002135100000000, -0.0030217800000000, 0.0002685500000000 ] - [ -0.0005993600000000, -0.0009631800000000, -0.0019536800000000 ] - [ 0.0006840200000000, -0.0017940100000000, 0.0029613500000000 ] - [ 0.0271750300000000, 0.0262737200000000, 0.0008142200000000 ] - [ -0.0015195800000000, -0.0103844200000000, -0.0012487900000000 ] - [ 0.0017585100000000, 0.0059153200000000, 0.0010472900000000 ] - [ -0.0007137200000000, -0.0053478100000000, 0.0005259800000000 ] - [ -0.0005035900000000, -0.0010988800000000, 0.0048682300000000 ] - [ 0.0003798100000000, -0.0011138800000000, -0.0023263900000000 ] - [ -0.0042881200000000, -0.0612081300000000, 0.0288284400000000 ] - [ 0.0001406700000000, 0.0107663000000000, 0.0007836400000000 ] - [ -0.0003840300000000, -0.0096740000000000, -0.0002463400000000 ] - [ -0.0008455100000000, 0.0099916300000000, 0.0023560500000000 ] - [ 0.0000284600000000, -0.0015175000000000, -0.0003497900000000 ] - [ 0.0001055100000000, 0.0008367500000000, 0.0003990900000000 ] - [ -0.0002309400000000, -0.0013595500000000, 0.0001060600000000 ] - [ -0.0000993100000000, 0.0014872000000000, -0.0002249600000000 ] - [ -0.0102238000000000, -0.0617366100000000, -0.0455284600000000 ] - [ 0.0003612400000000, 0.0109157600000000, 0.0010557900000000 ] - [ 0.0012155100000000, -0.0067886700000000, -0.0065144000000000 ] - [ -0.0010757900000000, 0.0045179100000000, 0.0029679400000000 ] - [ -0.0013006200000000, 0.0095887500000000, 0.0012160500000000 ] - [ -0.0107101700000000, -0.0192599600000000, -0.0078256600000000 ] - [ -0.0008928100000000, -0.0034446100000000, 0.0024907700000000 ] - [ 0.0001649100000000, 0.0022331900000000, -0.0000019700000000 ] - [ -0.0001565300000000, 0.0015305400000000, -0.0008198700000000 ] - [ 0.0004340000000000, -0.0010106700000000, 0.0003385000000000 ] - [ -0.0038079700000000, -0.0010419400000000, 0.0028361100000000 ] - [ 0.0046384000000000, 0.0037847900000000, -0.0032521600000000 ] - [ -0.0031147900000000, -0.0212336200000000, 0.0010383000000000 ] - [ 0.0000232800000000, 0.0058859900000000, -0.0009385800000000 ] - [ -0.0032794600000000, -0.0010022400000000, -0.0070815300000000 ] - [ 0.0006034700000000, 0.0024636800000000, 0.0039661200000000 ] - [ 0.0002649700000000, -0.0007877800000000, 0.0010544300000000 ] - [ -0.0000967900000000, 0.0015379400000000, -0.0013527400000000 ] - [ 0.0002211200000000, -0.0012407600000000, -0.0011136700000000 ] - [ 0.0000268700000000, 0.0010663300000000, 0.0000141100000000 ] - [ -0.0008843800000000, 0.0033273200000000, 0.0009456700000000 ] - [ 0.0015339100000000, -0.0043944500000000, -0.0001449000000000 ] - [ 0.0001022400000000, -0.0028528400000000, -0.0008126400000000 ] - [ 0.0001234000000000, 0.0018179000000000, 0.0005558300000000 ] - [ -0.0011093400000000, -0.0043002000000000, 0.0007089900000000 ] - [ -0.0000409300000000, 0.0055827500000000, 0.0006244500000000 ] - [ 0.0003713600000000, 0.0006754500000000, -0.0005109400000000 ] - [ -0.0001810000000000, -0.0006618600000000, 0.0003285300000000 ] - [ -0.0002849300000000, -0.0018526600000000, 0.0007617700000000 ] - [ -0.0000415100000000, 0.0016501700000000, -0.0003076500000000 ] - [ -0.0012536900000000, -0.0034332700000000, -0.0000053400000000 ] - [ 0.0000771300000000, 0.0031778300000000, 0.0006038800000000 ] - [ 0.0002792800000000, -0.0072228300000000, 0.0013851900000000 ] - [ -0.0001262400000000, 0.0067968300000000, -0.0021278000000000 ] - [ -0.0001448900000000, -0.0015858800000000, -0.0015869200000000 ] - [ -0.0001050300000000, 0.0014168300000000, 0.0001234900000000 ] - [ 0.0002662200000000, -0.0013951600000000, 0.0049927000000000 ] - [ -0.0009814800000000, 0.0046280100000000, -0.0054998300000000 ] - [ 0.0034115200000000, -0.0014861500000000, -0.0061628000000000 ] - [ -0.0004506300000000, 0.0025534600000000, 0.0021615100000000 ] - [ 0.0036232800000000, 0.0034913300000000, 0.0018307000000000 ] - [ -0.0069353000000000, -0.0020943300000000, -0.0042528900000000 ] - [ 0.0107034600000000, -0.0272134600000000, -0.0000031700000000 ] - [ 0.0007320300000000, 0.0051007500000000, 0.0015532700000000 ] - [ 0.0001665900000000, 0.0019889700000000, -0.0009216200000000 ] - [ -0.0004326500000000, -0.0012456600000000, -0.0001114000000000 ] - [ -0.0012032500000000, -0.0028467500000000, 0.0053794000000000 ] - [ -0.0004999900000000, 0.0026917100000000, -0.0030987700000000 ]- atom: 17 displacement: [ -0.0014701282124378, 0.0000000000000000, 0.0098913458659069 ] forces: - [ 0.0014613900000000, -0.0120936300000000, 0.0593655000000000 ] - [ 0.0002574800000000, 0.0009475300000000, 0.0020461800000000 ] - [ -0.0010257400000000, 0.0015047100000000, 0.0074923900000000 ] - [ -0.0013430500000000, -0.0011571100000000, 0.0069815400000000 ] - [ -0.0348740000000000, -0.0024780700000000, 0.0263698400000000 ] - [ -0.0020156700000000, 0.0001778100000000, -0.0029569500000000 ] - [ 0.0132038000000000, -0.0053603600000000, -0.0119684900000000 ] - [ 0.0149105300000000, 0.0127679500000000, -0.0164520000000000 ] - [ 0.0001331800000000, -0.0010638000000000, 0.0042957600000000 ] - [ -0.0002664200000000, -0.0000701000000000, 0.0026252200000000 ] - [ 0.0009756200000000, 0.0013306100000000, 0.0062565100000000 ] - [ 0.0007343300000000, -0.0006589400000000, 0.0062571900000000 ] - [ 0.0177442900000000, -0.0037480300000000, 0.0156456600000000 ] - [ 0.0016514500000000, 0.0012039800000000, 0.0001403000000000 ] - [ -0.0123723500000000, -0.0138195500000000, -0.0009302000000000 ] - [ -0.0211113600000000, 0.0204857300000000, -0.0008785400000000 ] - [ 0.0409783300000000, -0.0162156200000000, -0.2843334900000000 ] - [ 0.0017938100000000, 0.0019225100000000, -0.0160058100000000 ] - [ -0.0056857500000000, 0.0377240700000000, 0.0139995300000000 ] - [ 0.0075559600000000, -0.0229117900000000, 0.0194837800000000 ] - [ 0.0027169400000000, -0.0029531400000000, 0.0083634100000000 ] - [ 0.0021664300000000, 0.0062506500000000, 0.0094977000000000 ] - [ 0.0001808800000000, 0.0002761000000000, 0.0085447100000000 ] - [ -0.0006258600000000, 0.0000355900000000, 0.0055689500000000 ] - [ 0.0005283500000000, 0.0044901000000000, -0.0023903000000000 ] - [ 0.0006648700000000, -0.0038330400000000, -0.0025664100000000 ] - [ -0.0174444900000000, -0.0047917200000000, -0.0161907500000000 ] - [ -0.0015192300000000, 0.0027300900000000, -0.0089065100000000 ] - [ 0.0000889800000000, 0.0000106000000000, 0.0123019100000000 ] - [ 0.0009221000000000, -0.0002109600000000, 0.0080462800000000 ] - [ -0.0028054800000000, -0.0024188800000000, 0.0112145600000000 ] - [ -0.0017063200000000, 0.0048409200000000, 0.0113741200000000 ] - [ -0.0061041700000000, -0.0330017700000000, 0.0495997200000000 ] - [ 0.0001452600000000, -0.0087951000000000, 0.0048679300000000 ] - [ 0.0028554200000000, 0.0020912200000000, 0.0328768800000000 ] - [ -0.0008235100000000, 0.0068452100000000, 0.0049921300000000 ] - [ -0.0001458200000000, 0.0047240400000000, -0.0058314000000000 ] - [ 0.0002920600000000, -0.0008815100000000, -0.0026085200000000 ] - [ 0.0006552300000000, 0.0001506200000000, -0.0025342700000000 ] - [ 0.0003447100000000, 0.0007565600000000, -0.0018470000000000 ] - [ 0.0062610500000000, 0.0355755800000000, 0.0693860300000000 ] - [ -0.0012769200000000, 0.0055694100000000, 0.0036272800000000 ] - [ 0.0012677600000000, 0.0009555000000000, -0.0092173200000000 ] - [ 0.0018275500000000, -0.0060403000000000, -0.0065987700000000 ] - [ 0.0017013100000000, -0.0075435700000000, 0.0100171500000000 ] - [ -0.0095695400000000, 0.0013809500000000, 0.0126544300000000 ] - [ -0.0066121600000000, -0.0054147800000000, -0.0075871200000000 ] - [ -0.0005296300000000, -0.0000474600000000, -0.0011005100000000 ] - [ 0.0004115600000000, 0.0009859700000000, -0.0043465600000000 ] - [ 0.0005887700000000, 0.0011145200000000, -0.0051864600000000 ] - [ 0.0062815400000000, -0.0046560600000000, -0.0042024500000000 ] - [ 0.0036756400000000, 0.0030846400000000, -0.0022231900000000 ] - [ -0.0084433700000000, 0.0008248800000000, 0.0229591900000000 ] - [ 0.0007403800000000, -0.0020452100000000, 0.0055335300000000 ] - [ -0.0041156000000000, 0.0040448300000000, -0.0040175000000000 ] - [ -0.0010331800000000, -0.0012452300000000, -0.0014044500000000 ] - [ -0.0011803400000000, -0.0008360400000000, -0.0037065800000000 ] - [ -0.0002016000000000, 0.0011900500000000, -0.0026941200000000 ] - [ 0.0001249600000000, -0.0014848600000000, -0.0058681500000000 ] - [ -0.0000204300000000, -0.0020463800000000, -0.0048706600000000 ] - [ 0.0001394500000000, -0.0025824000000000, 0.0058654000000000 ] - [ 0.0051026100000000, 0.0006799400000000, 0.0060153300000000 ] - [ 0.0010222300000000, 0.0020661100000000, -0.0036850600000000 ] - [ 0.0003358400000000, -0.0017297800000000, -0.0019278900000000 ] - [ -0.0005938100000000, 0.0025647000000000, 0.0042025300000000 ] - [ 0.0010700500000000, 0.0025053000000000, 0.0018584500000000 ] - [ 0.0003292900000000, 0.0000034700000000, -0.0033667700000000 ] - [ 0.0000634900000000, -0.0016639800000000, -0.0040813300000000 ] - [ -0.0004205300000000, 0.0011553800000000, -0.0055201700000000 ] - [ -0.0004546600000000, 0.0002990500000000, -0.0024520900000000 ] - [ -0.0004905600000000, -0.0001625400000000, 0.0053071000000000 ] - [ -0.0000927800000000, 0.0022406000000000, 0.0038591200000000 ] - [ 0.0041870100000000, -0.0032756500000000, 0.0043096400000000 ] - [ 0.0006110100000000, -0.0057928100000000, 0.0044626400000000 ] - [ -0.0004031100000000, -0.0025502400000000, -0.0071800600000000 ] - [ -0.0000711000000000, -0.0026467300000000, -0.0056171500000000 ] - [ -0.0001655100000000, -0.0003386900000000, -0.0086397100000000 ] - [ -0.0009380800000000, 0.0034084800000000, -0.0055992100000000 ] - [ 0.0043630100000000, 0.0035808200000000, -0.0064920900000000 ] - [ 0.0005524700000000, -0.0013167800000000, -0.0027035100000000 ] - [ -0.0053989500000000, -0.0048415400000000, -0.0015609400000000 ] - [ -0.0059296400000000, 0.0023659300000000, -0.0005099200000000 ] - [ -0.0006404200000000, 0.0067523100000000, 0.0185878700000000 ] - [ -0.0003351000000000, 0.0012629800000000, 0.0040843700000000 ] - [ -0.0004087400000000, 0.0017761400000000, -0.0054697400000000 ] - [ -0.0004681600000000, 0.0023476900000000, -0.0061368700000000 ] - [ 0.0060512600000000, -0.0050131100000000, -0.0078775900000000 ] - [ -0.0000064900000000, 0.0007354400000000, -0.0026931500000000 ]- atom: 17 displacement: [ 0.0014701282124378, 0.0000000000000000, -0.0098913458659069 ] forces: - [ -0.0014545100000000, 0.0118386000000000, -0.0584413600000000 ] - [ -0.0002943200000000, -0.0011136100000000, -0.0019594700000000 ] - [ 0.0012235200000000, -0.0010633200000000, -0.0072538400000000 ] - [ 0.0015418200000000, 0.0016265000000000, -0.0067354800000000 ] - [ 0.0355315300000000, 0.0025203700000000, -0.0268531700000000 ] - [ 0.0021401100000000, -0.0002123600000000, 0.0028679700000000 ] - [ -0.0133137400000000, 0.0049768100000000, 0.0116604300000000 ] - [ -0.0150511300000000, -0.0132886500000000, 0.0161967600000000 ] - [ -0.0000587500000000, 0.0006408600000000, -0.0040614000000000 ] - [ 0.0003470900000000, -0.0003698200000000, -0.0023714100000000 ] - [ -0.0010980300000000, -0.0013680300000000, -0.0061655700000000 ] - [ -0.0008534100000000, 0.0006430300000000, -0.0061623100000000 ] - [ -0.0181274900000000, 0.0042347100000000, -0.0160441100000000 ] - [ -0.0018502000000000, -0.0007619400000000, -0.0003991100000000 ] - [ 0.0124333200000000, 0.0136862500000000, 0.0007758200000000 ] - [ 0.0210992700000000, -0.0205884000000000, 0.0006884900000000 ] - [ -0.0416081900000000, 0.0162177100000000, 0.2823607700000000 ] - [ -0.0014824600000000, -0.0019819800000000, 0.0160603200000000 ] - [ 0.0055508500000000, -0.0382130400000000, -0.0141966700000000 ] - [ -0.0077786600000000, 0.0229384900000000, -0.0196520400000000 ] - [ -0.0025479700000000, 0.0025855800000000, -0.0082369300000000 ] - [ -0.0020056000000000, -0.0065974100000000, -0.0093875700000000 ] - [ -0.0000677100000000, -0.0001028300000000, -0.0089915300000000 ] - [ 0.0007421200000000, 0.0001349400000000, -0.0060003700000000 ] - [ -0.0006386900000000, -0.0043326900000000, 0.0028453700000000 ] - [ -0.0007812800000000, 0.0040238100000000, 0.0030286100000000 ] - [ 0.0174544000000000, 0.0044921600000000, 0.0161017200000000 ] - [ 0.0013540700000000, -0.0031084600000000, 0.0087923100000000 ] - [ 0.0000771900000000, -0.0001512500000000, -0.0122690600000000 ] - [ -0.0007607400000000, 0.0000617300000000, -0.0079827900000000 ] - [ 0.0024929700000000, 0.0023609600000000, -0.0112360500000000 ] - [ 0.0013949100000000, -0.0048699300000000, -0.0114031300000000 ] - [ 0.0062110700000000, 0.0305427400000000, -0.0480766600000000 ] - [ 0.0001108000000000, 0.0085576900000000, -0.0047981200000000 ] - [ -0.0032421000000000, -0.0030838400000000, -0.0355996700000000 ] - [ 0.0009114400000000, -0.0066028800000000, -0.0051374700000000 ] - [ 0.0001908400000000, -0.0046972200000000, 0.0059414100000000 ] - [ -0.0002480400000000, 0.0009012100000000, 0.0027304600000000 ] - [ -0.0011631600000000, -0.0001112400000000, 0.0029178600000000 ] - [ -0.0008498800000000, -0.0007195800000000, 0.0022256400000000 ] - [ -0.0055676600000000, -0.0326810100000000, -0.0658399200000000 ] - [ 0.0011364900000000, -0.0055840100000000, -0.0032619200000000 ] - [ -0.0014276500000000, -0.0008321800000000, 0.0089938100000000 ] - [ -0.0019978600000000, 0.0062379300000000, 0.0063479100000000 ] - [ -0.0016186700000000, 0.0078615200000000, -0.0095705300000000 ] - [ 0.0099364700000000, -0.0003896600000000, -0.0125856600000000 ] - [ 0.0064271200000000, 0.0051789100000000, 0.0076574900000000 ] - [ 0.0003701900000000, -0.0001539300000000, 0.0011812300000000 ] - [ -0.0003786600000000, -0.0006842300000000, 0.0043370900000000 ] - [ -0.0005548000000000, -0.0008225000000000, 0.0051826600000000 ] - [ -0.0064023900000000, 0.0046934100000000, 0.0043502900000000 ] - [ -0.0037503800000000, -0.0031116000000000, 0.0023425300000000 ] - [ 0.0079045700000000, -0.0011032000000000, -0.0231559900000000 ] - [ -0.0010918600000000, 0.0017743300000000, -0.0059237400000000 ] - [ 0.0042564900000000, -0.0039553400000000, 0.0039246100000000 ] - [ 0.0011885800000000, 0.0013372200000000, 0.0013207300000000 ] - [ 0.0010203200000000, 0.0008219200000000, 0.0037930700000000 ] - [ 0.0000345600000000, -0.0012167000000000, 0.0027721200000000 ] - [ 0.0000500700000000, 0.0016589400000000, 0.0053905300000000 ] - [ 0.0001959600000000, 0.0022167100000000, 0.0043895500000000 ] - [ -0.0003156700000000, 0.0027624900000000, -0.0054048200000000 ] - [ -0.0053160200000000, -0.0004928000000000, -0.0055817200000000 ] - [ -0.0008694600000000, -0.0021190100000000, 0.0036253400000000 ] - [ -0.0001711800000000, 0.0017190700000000, 0.0018541700000000 ] - [ 0.0004259700000000, -0.0024702400000000, -0.0040346700000000 ] - [ -0.0012227400000000, -0.0024419900000000, -0.0017374700000000 ] - [ 0.0000206200000000, -0.0002839400000000, 0.0037420200000000 ] - [ 0.0002863100000000, 0.0013760600000000, 0.0044570400000000 ] - [ 0.0004861300000000, -0.0011741300000000, 0.0054262800000000 ] - [ 0.0005210900000000, -0.0003080500000000, 0.0023349500000000 ] - [ 0.0004329400000000, 0.0004480400000000, -0.0053479400000000 ] - [ 0.0000583700000000, -0.0019504500000000, -0.0038597100000000 ] - [ -0.0040153200000000, 0.0030245100000000, -0.0043649800000000 ] - [ -0.0004428600000000, 0.0056118000000000, -0.0045486400000000 ] - [ 0.0003148400000000, 0.0028458600000000, 0.0067126300000000 ] - [ -0.0000183200000000, 0.0029366700000000, 0.0051438200000000 ] - [ 0.0003310100000000, 0.0005132900000000, 0.0089531500000000 ] - [ 0.0011016100000000, -0.0032572000000000, 0.0058816900000000 ] - [ -0.0042060000000000, -0.0035489500000000, 0.0061377700000000 ] - [ -0.0004126500000000, 0.0013468400000000, 0.0023734300000000 ] - [ 0.0059355200000000, 0.0049138400000000, 0.0011973700000000 ] - [ 0.0064619600000000, -0.0023501000000000, 0.0001227100000000 ] - [ 0.0008958600000000, -0.0068545400000000, -0.0186162200000000 ] - [ 0.0002901600000000, -0.0012408200000000, -0.0042082500000000 ] - [ 0.0003247800000000, -0.0015052300000000, 0.0056005900000000 ] - [ 0.0003820700000000, -0.0020916700000000, 0.0062793400000000 ] - [ -0.0062876100000000, 0.0047063900000000, 0.0078020800000000 ] - [ -0.0002535600000000, -0.0010078900000000, 0.0026355500000000 ]- atom: 19 displacement: [ 0.0099999999959232, 0.0000000000000000, 0.0000002855446085 ] forces: - [ -0.0002720500000000, 0.0001925300000000, 0.0000313400000000 ] - [ -0.0002328000000000, -0.0005617600000000, 0.0009686500000000 ] - [ 0.0093161900000000, -0.0027241200000000, -0.0318065300000000 ] - [ -0.0000057000000000, 0.0001151300000000, -0.0004309100000000 ] - [ 0.0014966000000000, 0.0258275400000000, 0.0055968200000000 ] - [ 0.0150716400000000, -0.0264602200000000, 0.0005156400000000 ] - [ 0.0032629100000000, 0.0012458700000000, 0.0065027700000000 ] - [ 0.0000919000000000, -0.0007605500000000, 0.0005391300000000 ] - [ 0.0003612900000000, -0.0002834000000000, 0.0008633400000000 ] - [ 0.0001727800000000, -0.0001986400000000, 0.0004606800000000 ] - [ 0.0032853200000000, 0.0010944300000000, 0.0127916700000000 ] - [ -0.0002284100000000, -0.0003122500000000, 0.0007983900000000 ] - [ 0.0109706500000000, -0.0231243100000000, 0.0046496200000000 ] - [ 0.0015082400000000, 0.0290535200000000, 0.0073654600000000 ] - [ -0.0007295800000000, 0.0007066000000000, -0.0027168400000000 ] - [ -0.0001962900000000, -0.0007492800000000, -0.0001404300000000 ] - [ -0.0054432400000000, -0.0030265700000000, -0.0065898700000000 ] - [ -0.0074915100000000, -0.0095319100000000, 0.0065404900000000 ] - [ -0.2345027000000000, 0.0155932200000000, -0.0038966400000000 ] - [ -0.0024222600000000, -0.0009883400000000, -0.0011270100000000 ] - [ 0.0008536400000000, 0.0005083400000000, 0.0002615500000000 ] - [ 0.0002540300000000, -0.0005033400000000, 0.0007093500000000 ] - [ 0.0033991600000000, -0.0005822900000000, -0.0000013700000000 ] - [ 0.0034465000000000, -0.0015014400000000, 0.0009548500000000 ] - [ 0.0937686600000000, -0.0194033700000000, 0.0004224900000000 ] - [ 0.0028608600000000, 0.0018078200000000, -0.0006827900000000 ] - [ 0.0038887400000000, -0.0008058100000000, -0.0006622400000000 ] - [ 0.0032851800000000, 0.0003405600000000, -0.0012227800000000 ] - [ -0.0049177800000000, -0.0063809300000000, 0.0035975000000000 ] - [ -0.0048974500000000, -0.0049656800000000, -0.0044917300000000 ] - [ -0.0012917400000000, 0.0016587300000000, -0.0001613500000000 ] - [ -0.0001915400000000, -0.0008191600000000, 0.0008472800000000 ] - [ 0.0014093100000000, -0.0009483600000000, 0.0007366500000000 ] - [ 0.0006535900000000, 0.0018407300000000, -0.0016873100000000 ] - [ 0.0147648700000000, -0.0041174600000000, -0.0014714300000000 ] - [ 0.0041880200000000, 0.0023494100000000, 0.0021723400000000 ] - [ 0.0002025800000000, -0.0002033900000000, 0.0003286300000000 ] - [ 0.0000607800000000, 0.0004102500000000, -0.0002573100000000 ] - [ 0.0010278600000000, -0.0032001700000000, 0.0026611300000000 ] - [ -0.0012286700000000, 0.0008430300000000, 0.0005922900000000 ] - [ 0.0006467100000000, 0.0012705800000000, 0.0011244700000000 ] - [ 0.0009603900000000, 0.0005573900000000, -0.0026694100000000 ] - [ 0.0022042300000000, 0.0012280500000000, 0.0009303800000000 ] - [ 0.0182233200000000, -0.0039711200000000, -0.0045412800000000 ] - [ 0.0241873800000000, -0.0169491100000000, 0.0245391800000000 ] - [ 0.0023210500000000, 0.0001507600000000, -0.0001154400000000 ] - [ -0.0000990300000000, -0.0001465700000000, -0.0000904000000000 ] - [ -0.0003925500000000, -0.0002275900000000, -0.0001492600000000 ] - [ -0.0038191400000000, 0.0014684100000000, 0.0009983700000000 ] - [ -0.0004409500000000, 0.0006126100000000, -0.0002611600000000 ] - [ 0.0239768100000000, 0.0116270100000000, -0.0069621900000000 ] - [ -0.0001286900000000, 0.0019924300000000, 0.0007351600000000 ] - [ 0.0004182600000000, -0.0035508400000000, -0.0032159900000000 ] - [ -0.0017195200000000, 0.0016330800000000, -0.0014524700000000 ] - [ -0.0000149000000000, -0.0004671800000000, -0.0009936100000000 ] - [ -0.0000668000000000, 0.0002277000000000, -0.0005092400000000 ] - [ -0.0095163000000000, 0.0024480100000000, -0.0024099400000000 ] - [ -0.0022848400000000, -0.0008196800000000, -0.0015622900000000 ] - [ -0.0006041200000000, 0.0001323500000000, -0.0010801700000000 ] - [ -0.0001877100000000, 0.0002445700000000, -0.0006153500000000 ] - [ -0.0095265000000000, -0.0005661400000000, 0.0018584300000000 ] - [ -0.0020901100000000, -0.0010632400000000, -0.0001182400000000 ] - [ -0.0018046100000000, -0.0003775300000000, 0.0007103200000000 ] - [ -0.0128728500000000, 0.0022636500000000, -0.0003625200000000 ] - [ -0.0005131500000000, 0.0002716900000000, -0.0001557700000000 ] - [ -0.0007972200000000, 0.0003386700000000, -0.0000073100000000 ] - [ 0.0001343100000000, -0.0006620000000000, -0.0006506500000000 ] - [ 0.0001189600000000, 0.0000472900000000, -0.0001729100000000 ] - [ -0.0010413800000000, 0.0012053900000000, -0.0014044500000000 ] - [ 0.0014579800000000, -0.0022564100000000, -0.0038632400000000 ] - [ -0.0102911100000000, 0.0022290200000000, 0.0001650500000000 ] - [ -0.0035183300000000, -0.0006908700000000, 0.0013383400000000 ] - [ -0.0017182800000000, 0.0002402200000000, 0.0006421900000000 ] - [ -0.0003754400000000, -0.0001099300000000, -0.0000653900000000 ] - [ 0.0002141700000000, -0.0003261200000000, -0.0024626700000000 ] - [ 0.0008704300000000, 0.0013528300000000, 0.0004052700000000 ] - [ 0.0121550600000000, 0.0056605500000000, -0.0088073300000000 ] - [ 0.0026992900000000, 0.0007564100000000, -0.0008631400000000 ] - [ 0.0002440000000000, -0.0003022500000000, -0.0001737600000000 ] - [ 0.0001789700000000, 0.0002859800000000, -0.0004141400000000 ] - [ 0.0514352400000000, 0.0206925600000000, 0.0036712600000000 ] - [ 0.0002858600000000, 0.0019964600000000, 0.0004902400000000 ] - [ -0.0009288800000000, 0.0005432200000000, 0.0008902300000000 ] - [ 0.0024377200000000, -0.0022796300000000, 0.0026121100000000 ] - [ 0.0033633800000000, -0.0000279700000000, 0.0025560000000000 ] - [ 0.0005923200000000, 0.0024211900000000, -0.0007272700000000 ] - [ -0.0001213200000000, -0.0000786100000000, -0.0002429600000000 ] - [ 0.0001983300000000, -0.0004602300000000, -0.0001085600000000 ]- atom: 19 displacement: [ -0.0099999999959232, 0.0000000000000000, -0.0000002855446085 ] forces: - [ 0.0002340100000000, -0.0003500000000000, 0.0000625100000000 ] - [ 0.0001955600000000, 0.0004057600000000, -0.0008819600000000 ] - [ -0.0091412700000000, 0.0031250700000000, 0.0317936900000000 ] - [ 0.0001869500000000, 0.0003362700000000, 0.0007025800000000 ] - [ -0.0014328700000000, -0.0256272900000000, -0.0056589700000000 ] - [ -0.0150116400000000, 0.0262351600000000, -0.0005803900000000 ] - [ -0.0034044600000000, -0.0017094600000000, -0.0068012900000000 ] - [ -0.0001907600000000, 0.0003328700000000, -0.0008153900000000 ] - [ -0.0002811500000000, -0.0001499000000000, -0.0005872000000000 ] - [ -0.0000922000000000, -0.0002386000000000, -0.0001871900000000 ] - [ -0.0033658700000000, -0.0011005400000000, -0.0127591700000000 ] - [ 0.0001229200000000, 0.0002806500000000, -0.0006852800000000 ] - [ -0.0111076000000000, 0.0237896600000000, -0.0049034000000000 ] - [ -0.0016785000000000, -0.0288363800000000, -0.0076582000000000 ] - [ 0.0008005800000000, -0.0008671200000000, 0.0026034400000000 ] - [ 0.0002509300000000, 0.0005913700000000, 0.0000222800000000 ] - [ 0.0057138700000000, 0.0028721800000000, 0.0064258500000000 ] - [ 0.0078428300000000, 0.0096536700000000, -0.0066846400000000 ] - [ 0.2369460700000000, -0.0143200400000000, 0.0047486200000000 ] - [ 0.0022551300000000, 0.0008574800000000, 0.0010509900000000 ] - [ -0.0006871200000000, -0.0008673800000000, -0.0001295700000000 ] - [ -0.0000884600000000, 0.0001396600000000, -0.0005664300000000 ] - [ -0.0032723600000000, 0.0007897600000000, -0.0004360800000000 ] - [ -0.0033361700000000, 0.0016485000000000, -0.0013992000000000 ] - [ -0.0939449800000000, 0.0195929600000000, 0.0000276100000000 ] - [ -0.0029730200000000, -0.0016350400000000, 0.0011008500000000 ] - [ -0.0040302000000000, 0.0004697300000000, 0.0005416600000000 ] - [ -0.0034657000000000, -0.0007274300000000, 0.0010880400000000 ] - [ 0.0050604900000000, 0.0062234800000000, -0.0034704600000000 ] - [ 0.0050809300000000, 0.0048471000000000, 0.0046348200000000 ] - [ 0.0009781600000000, -0.0017003500000000, 0.0001640300000000 ] - [ -0.0001228100000000, 0.0007788800000000, -0.0008438900000000 ] - [ -0.0011507700000000, 0.0006799200000000, -0.0006248000000000 ] - [ -0.0003995600000000, -0.0021680900000000, 0.0018186100000000 ] - [ -0.0146760000000000, 0.0040761500000000, 0.0012407100000000 ] - [ -0.0041294700000000, -0.0021214200000000, -0.0023208100000000 ] - [ -0.0001549200000000, 0.0002242200000000, -0.0002164100000000 ] - [ -0.0000127600000000, -0.0003905700000000, 0.0003683200000000 ] - [ -0.0015120100000000, 0.0032203900000000, -0.0022715500000000 ] - [ 0.0007347200000000, -0.0007941000000000, -0.0002127000000000 ] - [ -0.0007806700000000, -0.0012332400000000, -0.0007295300000000 ] - [ -0.0011034500000000, -0.0005392500000000, 0.0030929600000000 ] - [ -0.0023457300000000, -0.0010617800000000, -0.0012103600000000 ] - [ -0.0185778900000000, 0.0042219100000000, 0.0043494600000000 ] - [ -0.0243643700000000, 0.0168441500000000, -0.0236700700000000 ] - [ -0.0022132600000000, 0.0001389400000000, 0.0005992500000000 ] - [ -0.0000599700000000, -0.0000621800000000, 0.0001635600000000 ] - [ 0.0002354900000000, 0.0000220000000000, 0.0002268200000000 ] - [ 0.0038327200000000, -0.0011624300000000, -0.0009981400000000 ] - [ 0.0004762600000000, -0.0003242800000000, 0.0002445600000000 ] - [ -0.0203987500000000, -0.0104779800000000, 0.0063071500000000 ] - [ 0.0000731100000000, -0.0020028500000000, -0.0006132100000000 ] - [ -0.0007249100000000, 0.0032388500000000, 0.0028246800000000 ] - [ 0.0013972800000000, -0.0019255300000000, 0.0010889700000000 ] - [ 0.0001667600000000, 0.0005528600000000, 0.0008914400000000 ] - [ 0.0002207300000000, -0.0001440400000000, 0.0004004500000000 ] - [ 0.0093641400000000, -0.0025123100000000, 0.0025182800000000 ] - [ 0.0021259700000000, 0.0008131300000000, 0.0016468100000000 ] - [ 0.0007775900000000, 0.0000353800000000, 0.0005953600000000 ] - [ 0.0003588000000000, -0.0000671000000000, 0.0001326000000000 ] - [ 0.0093923500000000, 0.0007737100000000, -0.0014020300000000 ] - [ 0.0019057100000000, 0.0012172000000000, 0.0006029200000000 ] - [ 0.0019664300000000, 0.0003528400000000, -0.0007885200000000 ] - [ 0.0130384000000000, -0.0022415100000000, 0.0002988700000000 ] - [ 0.0003599700000000, -0.0001939400000000, 0.0002684600000000 ] - [ 0.0006501200000000, -0.0002568300000000, 0.0001207500000000 ] - [ 0.0002130600000000, 0.0003748400000000, 0.0010185600000000 ] - [ 0.0002284900000000, -0.0003345100000000, 0.0005357700000000 ] - [ 0.0010999800000000, -0.0012189100000000, 0.0012716900000000 ] - [ -0.0014230900000000, 0.0022657100000000, 0.0037646400000000 ] - [ 0.0102610200000000, -0.0019768200000000, -0.0001542300000000 ] - [ 0.0034977600000000, 0.0009996300000000, -0.0013262800000000 ] - [ 0.0018860800000000, -0.0004513700000000, -0.0007237300000000 ] - [ 0.0005397000000000, -0.0000915100000000, -0.0000081100000000 ] - [ -0.0003095000000000, 0.0006066100000000, 0.0019666900000000 ] - [ -0.0009736600000000, -0.0010756500000000, -0.0009030900000000 ] - [ -0.0120587300000000, -0.0056325700000000, 0.0092169300000000 ] - [ -0.0025567100000000, -0.0006095500000000, 0.0011276900000000 ] - [ -0.0001048800000000, 0.0003232300000000, -0.0001915400000000 ] - [ -0.0000409400000000, -0.0002642500000000, 0.0000510100000000 ] - [ -0.0565797000000000, -0.0224800200000000, -0.0043219600000000 ] - [ 0.0002044200000000, -0.0019675100000000, -0.0008688400000000 ] - [ 0.0008455300000000, -0.0005046300000000, -0.0009803500000000 ] - [ -0.0025362800000000, 0.0023225800000000, -0.0027354000000000 ] - [ -0.0034265800000000, 0.0003091900000000, -0.0024445800000000 ] - [ -0.0006768800000000, -0.0021560200000000, 0.0008469700000000 ] - [ -0.0001404800000000, -0.0001977500000000, 0.0001653700000000 ] - [ -0.0004619300000000, 0.0001863500000000, 0.0000316400000000 ]- atom: 19 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0002170300000000, -0.0011824500000000, 0.0026785300000000 ] - [ -0.0000831500000000, 0.0012294700000000, -0.0024873800000000 ] - [ -0.0046004900000000, -0.0230296800000000, -0.0003991400000000 ] - [ 0.0005376000000000, 0.0076222300000000, -0.0000054300000000 ] - [ 0.0250333700000000, 0.0247355500000000, -0.0014962200000000 ] - [ -0.0315583400000000, 0.0301755000000000, -0.0048627600000000 ] - [ -0.0039935100000000, -0.0122168000000000, -0.0051591900000000 ] - [ 0.0011057600000000, 0.0070977600000000, -0.0005026700000000 ] - [ -0.0003285100000000, -0.0001770600000000, -0.0000375600000000 ] - [ 0.0002109400000000, -0.0004017200000000, 0.0000128700000000 ] - [ -0.0041120100000000, -0.0136580800000000, -0.0014442200000000 ] - [ 0.0005553800000000, 0.0068259200000000, -0.0002165100000000 ] - [ -0.0306617200000000, 0.0239547300000000, -0.0142168900000000 ] - [ 0.0207260900000000, 0.0229515600000000, 0.0040270000000000 ] - [ 0.0011370800000000, -0.0074765100000000, -0.0022552400000000 ] - [ -0.0006032400000000, 0.0065053400000000, 0.0015006200000000 ] - [ 0.0051025600000000, 0.0204921700000000, 0.0392452100000000 ] - [ 0.0057268600000000, 0.0230212100000000, -0.0223530600000000 ] - [ 0.0147252900000000, -0.2705306100000000, 0.0061994800000000 ] - [ -0.0010072700000000, 0.0214718200000000, -0.0010394700000000 ] - [ -0.0003856300000000, -0.0034328100000000, -0.0005219300000000 ] - [ 0.0001821400000000, 0.0035014800000000, 0.0000877300000000 ] - [ -0.0012825000000000, 0.0008737300000000, -0.0038138600000000 ] - [ -0.0007605900000000, 0.0005258200000000, 0.0030979000000000 ] - [ 0.0196516000000000, -0.0237115300000000, 0.0015240300000000 ] - [ -0.0016226200000000, 0.0118155300000000, 0.0006982600000000 ] - [ -0.0009516100000000, -0.0002978800000000, 0.0040966700000000 ] - [ -0.0000262200000000, 0.0025476700000000, -0.0038464500000000 ] - [ 0.0050015900000000, 0.0161167700000000, -0.0158559600000000 ] - [ 0.0064063900000000, 0.0161234000000000, 0.0252148300000000 ] - [ 0.0012057900000000, -0.0060266900000000, 0.0001294400000000 ] - [ -0.0007706400000000, 0.0052726500000000, 0.0000548200000000 ] - [ -0.0001404400000000, 0.0059477400000000, -0.0056378000000000 ] - [ -0.0003782800000000, -0.0071977000000000, 0.0050447800000000 ] - [ -0.0107915700000000, 0.0719502300000000, 0.0213280700000000 ] - [ -0.0009466600000000, -0.0140849400000000, -0.0002752100000000 ] - [ -0.0001080500000000, 0.0015785700000000, -0.0002355600000000 ] - [ 0.0001690800000000, -0.0016388200000000, 0.0002906200000000 ] - [ -0.0046552600000000, 0.0018428200000000, 0.0024582300000000 ] - [ 0.0038537500000000, -0.0047475000000000, -0.0026236000000000 ] - [ -0.0017081900000000, -0.0075134800000000, -0.0075690500000000 ] - [ -0.0004263200000000, 0.0013898900000000, 0.0079284200000000 ] - [ -0.0013280300000000, -0.0103642600000000, 0.0013483400000000 ] - [ -0.0005477600000000, 0.0241195300000000, 0.0013040400000000 ] - [ -0.0215979200000000, 0.0452739700000000, -0.0415954100000000 ] - [ -0.0003811700000000, -0.0112110500000000, 0.0016890700000000 ] - [ -0.0006925500000000, -0.0013963300000000, -0.0007846400000000 ] - [ 0.0005078500000000, 0.0011982200000000, 0.0008749400000000 ] - [ 0.0008639700000000, 0.0030018400000000, -0.0009739600000000 ] - [ 0.0002772500000000, -0.0025157300000000, 0.0010340900000000 ] - [ 0.0006914800000000, 0.0225872800000000, 0.0005033300000000 ] - [ 0.0000948600000000, -0.0080466200000000, -0.0009912800000000 ] - [ -0.0074464600000000, 0.0008841300000000, -0.0070621300000000 ] - [ 0.0028494600000000, -0.0058782900000000, 0.0043163100000000 ] - [ -0.0002108600000000, 0.0017359500000000, 0.0007025700000000 ] - [ 0.0002253200000000, -0.0012032900000000, 0.0003873400000000 ] - [ 0.0018510800000000, 0.0046877800000000, 0.0011004300000000 ] - [ -0.0008816400000000, -0.0035724500000000, -0.0005637500000000 ] - [ 0.0003778700000000, 0.0017514500000000, 0.0015051300000000 ] - [ 0.0002236200000000, -0.0020822800000000, -0.0017803000000000 ] - [ 0.0042158100000000, 0.0047677000000000, -0.0007176600000000 ] - [ -0.0016208900000000, -0.0042857200000000, 0.0005770900000000 ] - [ 0.0000226900000000, -0.0054269300000000, 0.0014725100000000 ] - [ 0.0019084600000000, 0.0056146800000000, -0.0005197500000000 ] - [ 0.0003433400000000, -0.0019705400000000, -0.0018897400000000 ] - [ -0.0001022600000000, 0.0014759800000000, 0.0019388300000000 ] - [ -0.0000847000000000, 0.0016151100000000, 0.0011041700000000 ] - [ 0.0001631500000000, -0.0018221900000000, 0.0001285900000000 ] - [ 0.0023448000000000, -0.0048802700000000, 0.0050395700000000 ] - [ -0.0054300200000000, 0.0003713400000000, -0.0053711000000000 ] - [ 0.0020227100000000, 0.0068492800000000, -0.0009068100000000 ] - [ 0.0000929800000000, -0.0060405700000000, 0.0008161400000000 ] - [ 0.0001215600000000, 0.0045343200000000, -0.0019562900000000 ] - [ 0.0008180000000000, -0.0044208500000000, 0.0016243100000000 ] - [ 0.0005777600000000, 0.0032967100000000, 0.0056283600000000 ] - [ -0.0022540700000000, -0.0062622700000000, -0.0059725500000000 ] - [ 0.0007526100000000, 0.0061551200000000, 0.0155462300000000 ] - [ -0.0009321900000000, -0.0085878900000000, -0.0005298600000000 ] - [ -0.0000038500000000, 0.0018879600000000, -0.0002222000000000 ] - [ 0.0000965300000000, -0.0016249800000000, -0.0003868300000000 ] - [ 0.0132300300000000, 0.0249420500000000, 0.0013445100000000 ] - [ 0.0005700000000000, -0.0078235300000000, -0.0009792200000000 ] - [ 0.0054403800000000, -0.0047375900000000, -0.0051860900000000 ] - [ -0.0052659200000000, -0.0008812900000000, 0.0038995200000000 ] - [ -0.0004177500000000, 0.0069600200000000, -0.0069019800000000 ] - [ -0.0007360700000000, -0.0066598100000000, 0.0027542600000000 ] - [ 0.0002353300000000, -0.0014551200000000, -0.0010647400000000 ] - [ -0.0006302900000000, 0.0011941600000000, 0.0009542700000000 ]- atom: 19 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0002506600000000, 0.0010128600000000, -0.0025536000000000 ] - [ 0.0000484900000000, -0.0013720200000000, 0.0025888200000000 ] - [ 0.0047230600000000, 0.0234482200000000, 0.0008026000000000 ] - [ -0.0003366600000000, -0.0071366800000000, 0.0002547300000000 ] - [ -0.0245630000000000, -0.0244947900000000, 0.0013794500000000 ] - [ 0.0320113000000000, -0.0304103100000000, 0.0047695600000000 ] - [ 0.0038809500000000, 0.0117106800000000, 0.0048203000000000 ] - [ -0.0011764100000000, -0.0075075400000000, 0.0002354000000000 ] - [ 0.0004042000000000, -0.0002637400000000, 0.0003194700000000 ] - [ -0.0001325400000000, -0.0000287700000000, 0.0002686800000000 ] - [ 0.0039890800000000, 0.0135865600000000, 0.0016021900000000 ] - [ -0.0006728100000000, -0.0068274300000000, 0.0003195200000000 ] - [ 0.0301084300000000, -0.0232811300000000, 0.0138190300000000 ] - [ -0.0211619500000000, -0.0226272700000000, -0.0043671100000000 ] - [ -0.0010903800000000, 0.0072946200000000, 0.0021191400000000 ] - [ 0.0006348100000000, -0.0066403200000000, -0.0016011600000000 ] - [ -0.0047672900000000, -0.0204394700000000, -0.0389922300000000 ] - [ -0.0053591300000000, -0.0229140700000000, 0.0223535500000000 ] - [ -0.0152901600000000, 0.2681865900000000, -0.0090655700000000 ] - [ 0.0008396500000000, -0.0215581400000000, 0.0009219600000000 ] - [ 0.0005536700000000, 0.0030609300000000, 0.0006817700000000 ] - [ -0.0000134200000000, -0.0038486800000000, 0.0000717400000000 ] - [ 0.0013881500000000, -0.0007243700000000, 0.0033855800000000 ] - [ 0.0008574600000000, -0.0003249800000000, -0.0035011300000000 ] - [ -0.0196295000000000, 0.0238040300000000, -0.0010962800000000 ] - [ 0.0015022200000000, -0.0116017500000000, -0.0002790800000000 ] - [ 0.0007878900000000, -0.0000855600000000, -0.0042468400000000 ] - [ -0.0001461300000000, -0.0028584000000000, 0.0036717600000000 ] - [ -0.0048130800000000, -0.0162204500000000, 0.0158471600000000 ] - [ -0.0061984900000000, -0.0162137100000000, -0.0251000400000000 ] - [ -0.0015174600000000, 0.0059644700000000, -0.0001109800000000 ] - [ 0.0004536400000000, -0.0052931700000000, -0.0000385400000000 ] - [ 0.0003946400000000, -0.0061930700000000, 0.0056990900000000 ] - [ 0.0006340100000000, 0.0068859300000000, -0.0049461000000000 ] - [ 0.0100109300000000, -0.0669851900000000, -0.0192844300000000 ] - [ 0.0010201700000000, 0.0143736100000000, 0.0001110900000000 ] - [ 0.0001515900000000, -0.0015481700000000, 0.0003369800000000 ] - [ -0.0001222700000000, 0.0016542900000000, -0.0001845300000000 ] - [ 0.0041346300000000, -0.0017820700000000, -0.0020821800000000 ] - [ -0.0043328900000000, 0.0047521800000000, 0.0029838300000000 ] - [ 0.0015603900000000, 0.0075229100000000, 0.0079075100000000 ] - [ 0.0002704300000000, -0.0013840600000000, -0.0074998100000000 ] - [ 0.0011523000000000, 0.0104769700000000, -0.0015822900000000 ] - [ 0.0010518600000000, -0.0259846200000000, -0.0032616300000000 ] - [ 0.0225880700000000, -0.0460907000000000, 0.0443251300000000 ] - [ 0.0004668700000000, 0.0114443300000000, -0.0012088500000000 ] - [ 0.0005268000000000, 0.0011820300000000, 0.0008484800000000 ] - [ -0.0006687300000000, -0.0014092300000000, -0.0008054700000000 ] - [ -0.0008155600000000, -0.0027027600000000, 0.0009402200000000 ] - [ -0.0002420400000000, 0.0028123300000000, -0.0010499200000000 ] - [ -0.0009137200000000, -0.0225973000000000, -0.0003200200000000 ] - [ -0.0001700700000000, 0.0080206400000000, 0.0011224900000000 ] - [ 0.0070416800000000, -0.0011608000000000, 0.0066528500000000 ] - [ -0.0032003400000000, 0.0055681500000000, -0.0046867500000000 ] - [ 0.0003580800000000, -0.0016377200000000, -0.0008068500000000 ] - [ -0.0000749200000000, 0.0012820200000000, -0.0005066000000000 ] - [ -0.0020118700000000, -0.0046597300000000, -0.0010385600000000 ] - [ 0.0007146700000000, 0.0035321500000000, 0.0006459000000000 ] - [ -0.0002013800000000, -0.0015735800000000, -0.0019978800000000 ] - [ -0.0000439600000000, 0.0022366800000000, 0.0012762400000000 ] - [ -0.0044017700000000, -0.0046434800000000, 0.0012437100000000 ] - [ 0.0014353800000000, 0.0044436200000000, -0.0000797700000000 ] - [ 0.0001411200000000, 0.0053912300000000, -0.0015343100000000 ] - [ -0.0017483700000000, -0.0056729800000000, 0.0004253400000000 ] - [ -0.0004937500000000, 0.0020522300000000, 0.0019986100000000 ] - [ -0.0000429800000000, -0.0013947500000000, -0.0018164000000000 ] - [ 0.0004341900000000, -0.0018980200000000, -0.0007438200000000 ] - [ 0.0001857500000000, 0.0015281300000000, 0.0002320400000000 ] - [ -0.0022706400000000, 0.0048605500000000, -0.0051263300000000 ] - [ 0.0054928400000000, -0.0003904800000000, 0.0052427300000000 ] - [ -0.0020404500000000, -0.0064708700000000, 0.0009306000000000 ] - [ -0.0001226100000000, 0.0063119500000000, -0.0007985900000000 ] - [ 0.0000421800000000, -0.0047165800000000, 0.0018826900000000 ] - [ -0.0006529000000000, 0.0041858500000000, -0.0016878800000000 ] - [ -0.0006640900000000, -0.0029983400000000, -0.0061041200000000 ] - [ 0.0021496900000000, 0.0065058300000000, 0.0054466700000000 ] - [ -0.0006593800000000, -0.0057135700000000, -0.0154064900000000 ] - [ 0.0010892500000000, 0.0087199000000000, 0.0008277000000000 ] - [ 0.0001465500000000, -0.0018582400000000, -0.0001488900000000 ] - [ 0.0000462700000000, 0.0016385000000000, 0.0000140000000000 ] - [ -0.0129361200000000, -0.0247205000000000, -0.0016536000000000 ] - [ -0.0000554900000000, 0.0078266100000000, 0.0006039900000000 ] - [ -0.0054726400000000, 0.0047495500000000, 0.0050605100000000 ] - [ 0.0052121000000000, 0.0008881900000000, -0.0039998800000000 ] - [ 0.0003195800000000, -0.0066769900000000, 0.0070042900000000 ] - [ 0.0006465600000000, 0.0069156000000000, -0.0026226100000000 ] - [ -0.0004928200000000, 0.0011739400000000, 0.0009749900000000 ] - [ 0.0003692300000000, -0.0014683300000000, -0.0010329700000000 ]- atom: 19 displacement: [ -0.0014701282124378, 0.0000000000000000, 0.0098913458659069 ] forces: - [ -0.0001296300000000, 0.0002289900000000, 0.0065482500000000 ] - [ 0.0000188100000000, -0.0013021200000000, 0.0066743100000000 ] - [ -0.0291532200000000, 0.0002645100000000, 0.0270762700000000 ] - [ -0.0012304600000000, 0.0006781100000000, -0.0022938900000000 ] - [ 0.0048339900000000, -0.0031517600000000, -0.0140364500000000 ] - [ 0.0007684200000000, -0.0007007100000000, -0.0248117800000000 ] - [ 0.0094203200000000, 0.0030381400000000, 0.0126225800000000 ] - [ 0.0015422100000000, -0.0008700700000000, 0.0015656800000000 ] - [ 0.0008650000000000, -0.0009826000000000, 0.0053840000000000 ] - [ 0.0003206700000000, -0.0003127200000000, 0.0053692500000000 ] - [ 0.0133696400000000, 0.0035849500000000, 0.0123638900000000 ] - [ 0.0011634000000000, -0.0003062000000000, 0.0004858000000000 ] - [ -0.0004521500000000, -0.0032652500000000, -0.0211549600000000 ] - [ 0.0047808400000000, 0.0016689200000000, -0.0142923900000000 ] - [ -0.0046604600000000, 0.0005614900000000, 0.0098236200000000 ] - [ -0.0014331600000000, -0.0000076500000000, 0.0032468900000000 ] - [ 0.0018187200000000, 0.0175119900000000, 0.0150743500000000 ] - [ -0.0053897800000000, -0.0298775800000000, 0.0175616800000000 ] - [ 0.0290002900000000, 0.0066265300000000, -0.2004609800000000 ] - [ -0.0008151900000000, -0.0009142100000000, -0.0103901900000000 ] - [ 0.0008698300000000, -0.0004597100000000, 0.0081597100000000 ] - [ 0.0007590500000000, 0.0002319300000000, 0.0051840000000000 ] - [ -0.0013721100000000, -0.0031521000000000, 0.0005451900000000 ] - [ -0.0006132900000000, 0.0039249600000000, 0.0000668100000000 ] - [ -0.0146310200000000, 0.0049151200000000, -0.0131650900000000 ] - [ 0.0004508200000000, 0.0000321800000000, -0.0047382600000000 ] - [ 0.0002271500000000, 0.0028530000000000, -0.0016173200000000 ] - [ -0.0021032200000000, -0.0028945700000000, -0.0010456500000000 ] - [ -0.0036826800000000, -0.0239070700000000, 0.0141278900000000 ] - [ 0.0042917200000000, 0.0162486500000000, 0.0153593900000000 ] - [ -0.0014286800000000, 0.0007215700000000, 0.0120726600000000 ] - [ -0.0009680300000000, 0.0005686600000000, 0.0077621800000000 ] - [ 0.0001790900000000, -0.0031689200000000, -0.0068141400000000 ] - [ 0.0003003400000000, 0.0050897000000000, -0.0056419800000000 ] - [ -0.0043784700000000, 0.0186418700000000, 0.0245614200000000 ] - [ 0.0019387200000000, 0.0067013300000000, 0.0083813500000000 ] - [ 0.0009384200000000, 0.0009584000000000, -0.0031143200000000 ] - [ 0.0004866200000000, 0.0009047600000000, -0.0023430600000000 ] - [ 0.0050766600000000, 0.0045418100000000, -0.0022805900000000 ] - [ 0.0026193700000000, -0.0031120800000000, -0.0006980100000000 ] - [ -0.0004649500000000, -0.0021435700000000, -0.0035298200000000 ] - [ 0.0007138200000000, 0.0021797000000000, -0.0081200800000000 ] - [ 0.0004568800000000, 0.0045853600000000, 0.0063797300000000 ] - [ -0.0064621500000000, 0.0156459600000000, 0.0367141000000000 ] - [ 0.0236159400000000, -0.0358514400000000, 0.0764879500000000 ] - [ -0.0010339000000000, -0.0049348300000000, 0.0039257400000000 ] - [ -0.0010592200000000, -0.0012162100000000, -0.0019443600000000 ] - [ -0.0011195200000000, -0.0016608000000000, -0.0026964300000000 ] - [ 0.0015922100000000, -0.0021030400000000, -0.0038600600000000 ] - [ -0.0002457300000000, 0.0017048600000000, -0.0015673400000000 ] - [ -0.0160061200000000, -0.0045683100000000, 0.0209327000000000 ] - [ 0.0001977000000000, 0.0015896200000000, 0.0030027100000000 ] - [ -0.0050733400000000, -0.0043931200000000, -0.0003918500000000 ] - [ -0.0041147900000000, 0.0042219700000000, 0.0009733600000000 ] - [ -0.0003099900000000, 0.0000242500000000, -0.0061975100000000 ] - [ -0.0003908700000000, 0.0004192500000000, -0.0033785600000000 ] - [ -0.0012376300000000, 0.0008186900000000, 0.0034634100000000 ] - [ -0.0001032000000000, -0.0014901400000000, 0.0027868400000000 ] - [ -0.0008761000000000, 0.0003410700000000, -0.0033389800000000 ] - [ -0.0000360800000000, -0.0012237300000000, -0.0029269200000000 ] - [ -0.0045220400000000, -0.0019169000000000, 0.0062626100000000 ] - [ -0.0003941200000000, -0.0015348200000000, 0.0034383100000000 ] - [ 0.0002555300000000, 0.0005203200000000, 0.0035137300000000 ] - [ 0.0053124100000000, -0.0016636700000000, 0.0045626600000000 ] - [ -0.0001300100000000, 0.0000810900000000, -0.0025985000000000 ] - [ -0.0002894000000000, 0.0010413100000000, -0.0029468400000000 ] - [ -0.0003781000000000, -0.0011660200000000, -0.0041397100000000 ] - [ -0.0002272600000000, -0.0005787400000000, -0.0020139400000000 ] - [ -0.0039675700000000, 0.0046310900000000, 0.0013299900000000 ] - [ -0.0041658300000000, -0.0030271100000000, 0.0001943700000000 ] - [ 0.0019115300000000, 0.0010746400000000, 0.0043556200000000 ] - [ -0.0004062700000000, 0.0006277400000000, 0.0037474300000000 ] - [ -0.0001145200000000, -0.0014582200000000, -0.0005793800000000 ] - [ -0.0002661100000000, 0.0011955500000000, -0.0006471100000000 ] - [ -0.0006748100000000, -0.0009951600000000, -0.0076389100000000 ] - [ -0.0014723400000000, -0.0035569900000000, -0.0053350300000000 ] - [ -0.0042902600000000, 0.0124203400000000, 0.0052552500000000 ] - [ -0.0014081400000000, -0.0051257400000000, 0.0033751500000000 ] - [ 0.0006138000000000, 0.0006596300000000, -0.0056270900000000 ] - [ 0.0006138000000000, 0.0004646100000000, -0.0037485000000000 ] - [ 0.0009281600000000, -0.0003771100000000, 0.0134876400000000 ] - [ 0.0008306700000000, 0.0010057600000000, 0.0018854000000000 ] - [ 0.0027896900000000, -0.0026550500000000, -0.0012631900000000 ] - [ 0.0065108400000000, 0.0032208900000000, -0.0025360900000000 ] - [ -0.0005510000000000, -0.0010784300000000, -0.0091458700000000 ] - [ 0.0007567600000000, 0.0063567700000000, -0.0026951000000000 ] - [ 0.0004546000000000, -0.0008641400000000, -0.0032863300000000 ] - [ 0.0006384900000000, -0.0013594600000000, -0.0050392800000000 ]- atom: 19 displacement: [ 0.0014701282124378, 0.0000000000000000, -0.0098913458659069 ] forces: - [ 0.0001027900000000, -0.0003566200000000, -0.0064569700000000 ] - [ -0.0000514100000000, 0.0011349400000000, -0.0065888200000000 ] - [ 0.0298219800000000, 0.0001773600000000, -0.0271767100000000 ] - [ 0.0014321700000000, -0.0002231700000000, 0.0025949600000000 ] - [ -0.0048067600000000, 0.0030344200000000, 0.0139744700000000 ] - [ -0.0006920000000000, 0.0007623600000000, 0.0247793600000000 ] - [ -0.0094600800000000, -0.0035037500000000, -0.0129070300000000 ] - [ -0.0016327100000000, 0.0004307700000000, -0.0018667700000000 ] - [ -0.0007947500000000, 0.0005640500000000, -0.0051296000000000 ] - [ -0.0002476700000000, -0.0001322000000000, -0.0051120600000000 ] - [ -0.0136569800000000, -0.0036452700000000, -0.0123477900000000 ] - [ -0.0012886700000000, 0.0002821200000000, -0.0003524100000000 ] - [ 0.0003468500000000, 0.0036161500000000, 0.0210985700000000 ] - [ -0.0049756100000000, -0.0010906000000000, 0.0141169700000000 ] - [ 0.0046672900000000, -0.0007347500000000, -0.0099174900000000 ] - [ 0.0014783500000000, -0.0001615600000000, -0.0033865600000000 ] - [ -0.0015428900000000, -0.0175290400000000, -0.0152890900000000 ] - [ 0.0057737200000000, 0.0298409200000000, -0.0176361800000000 ] - [ -0.0317090600000000, -0.0041274700000000, 0.1988581700000000 ] - [ 0.0006508200000000, 0.0007559800000000, 0.0103499800000000 ] - [ -0.0007022500000000, 0.0001036000000000, -0.0080324200000000 ] - [ -0.0005913600000000, -0.0005896300000000, -0.0050382700000000 ] - [ 0.0015038500000000, 0.0033501500000000, -0.0009333700000000 ] - [ 0.0007297200000000, -0.0037879700000000, -0.0004422500000000 ] - [ 0.0147066400000000, -0.0047774400000000, 0.0136234500000000 ] - [ -0.0005612900000000, 0.0001374800000000, 0.0051704600000000 ] - [ -0.0003685600000000, -0.0032064200000000, 0.0014130200000000 ] - [ 0.0018952900000000, 0.0025372600000000, 0.0008505800000000 ] - [ 0.0038790000000000, 0.0240103700000000, -0.0141682600000000 ] - [ -0.0041668000000000, -0.0165526500000000, -0.0153173000000000 ] - [ 0.0011186400000000, -0.0007662100000000, -0.0121183400000000 ] - [ 0.0006569900000000, -0.0006166900000000, -0.0077756000000000 ] - [ 0.0000685400000000, 0.0028280400000000, 0.0068774300000000 ] - [ -0.0000435100000000, -0.0053784100000000, 0.0057527200000000 ] - [ 0.0043621600000000, -0.0173921900000000, -0.0242878500000000 ] - [ -0.0018554800000000, -0.0064343900000000, -0.0085079100000000 ] - [ -0.0009004400000000, -0.0009399300000000, 0.0032312900000000 ] - [ -0.0004445900000000, -0.0008829400000000, 0.0024542800000000 ] - [ -0.0056245200000000, -0.0045516500000000, 0.0026707100000000 ] - [ -0.0031334800000000, 0.0031740000000000, 0.0010577300000000 ] - [ 0.0003340900000000, 0.0022040800000000, 0.0039629900000000 ] - [ -0.0008664900000000, -0.0021419300000000, 0.0085312400000000 ] - [ -0.0006220400000000, -0.0044580600000000, -0.0067103600000000 ] - [ 0.0067253600000000, -0.0169365700000000, -0.0378403000000000 ] - [ -0.0219504400000000, 0.0334587100000000, -0.0731314700000000 ] - [ 0.0011331900000000, 0.0052653500000000, -0.0034313000000000 ] - [ 0.0008955900000000, 0.0009972400000000, 0.0020190800000000 ] - [ 0.0009604600000000, 0.0014596900000000, 0.0027760700000000 ] - [ -0.0015778300000000, 0.0024392300000000, 0.0038583700000000 ] - [ 0.0002832600000000, -0.0014132800000000, 0.0015419500000000 ] - [ 0.0160135500000000, 0.0045570700000000, -0.0206266800000000 ] - [ -0.0002635300000000, -0.0016110500000000, -0.0028973600000000 ] - [ 0.0047258700000000, 0.0040649400000000, 0.0000486900000000 ] - [ 0.0037856100000000, -0.0045341400000000, -0.0013160500000000 ] - [ 0.0004560000000000, 0.0000585300000000, 0.0061025200000000 ] - [ 0.0005428300000000, -0.0003304600000000, 0.0032802400000000 ] - [ 0.0010613400000000, -0.0008339800000000, -0.0034472000000000 ] - [ -0.0000717500000000, 0.0014735100000000, -0.0027452300000000 ] - [ 0.0010629600000000, -0.0001891500000000, 0.0028430200000000 ] - [ 0.0002148800000000, 0.0013936800000000, 0.0024298600000000 ] - [ 0.0043264400000000, 0.0020631700000000, -0.0057256000000000 ] - [ 0.0002212200000000, 0.0017093500000000, -0.0029344500000000 ] - [ -0.0000913300000000, -0.0005373800000000, -0.0036228400000000 ] - [ -0.0051890100000000, 0.0016250000000000, -0.0047055100000000 ] - [ -0.0000220000000000, 0.0000028100000000, 0.0027397100000000 ] - [ 0.0001452800000000, -0.0009533400000000, 0.0030861500000000 ] - [ 0.0007321200000000, 0.0008848200000000, 0.0045235200000000 ] - [ 0.0005799000000000, 0.0002910300000000, 0.0023771800000000 ] - [ 0.0040564300000000, -0.0046643700000000, -0.0014827900000000 ] - [ 0.0042586300000000, 0.0030372100000000, -0.0003510900000000 ] - [ -0.0019482600000000, -0.0007411800000000, -0.0043152400000000 ] - [ 0.0003675100000000, -0.0003329100000000, -0.0037200600000000 ] - [ 0.0002883800000000, 0.0012325500000000, 0.0005269600000000 ] - [ 0.0004366400000000, -0.0014088900000000, 0.0005868100000000 ] - [ 0.0005911400000000, 0.0012673600000000, 0.0071868100000000 ] - [ 0.0013939400000000, 0.0038671500000000, 0.0048664600000000 ] - [ 0.0042837000000000, -0.0118080500000000, -0.0058073600000000 ] - [ 0.0015750800000000, 0.0053006300000000, -0.0031417200000000 ] - [ -0.0004678500000000, -0.0006458500000000, 0.0052768100000000 ] - [ -0.0004737700000000, -0.0004395600000000, 0.0033962000000000 ] - [ -0.0001113800000000, 0.0004438300000000, -0.0137901600000000 ] - [ -0.0003329100000000, -0.0009593300000000, -0.0022656400000000 ] - [ -0.0028671600000000, 0.0026941200000000, 0.0011929700000000 ] - [ -0.0065452600000000, -0.0031525200000000, 0.0024341600000000 ] - [ 0.0004735100000000, 0.0013843000000000, 0.0093281700000000 ] - [ -0.0008536100000000, -0.0061197800000000, 0.0028140300000000 ] - [ -0.0007137300000000, 0.0005828300000000, 0.0032202600000000 ] - [ -0.0009004900000000, 0.0010945700000000, 0.0049731300000000 ]- atom: 21 displacement: [ 0.0099999999959232, 0.0000000000000000, 0.0000002855446085 ] forces: - [ -0.0001219700000000, -0.0231386500000000, 0.0203344900000000 ] - [ 0.0036533400000000, 0.0076419600000000, 0.0036626200000000 ] - [ 0.0015822800000000, -0.0000822500000000, -0.0126558100000000 ] - [ -0.0003667900000000, 0.0007542000000000, 0.0001012600000000 ] - [ -0.0004140300000000, -0.0001163000000000, 0.0003389400000000 ] - [ -0.0001257900000000, 0.0000487600000000, -0.0001792000000000 ] - [ -0.0041526700000000, -0.0012862100000000, -0.0023171000000000 ] - [ -0.0012866500000000, -0.0006393900000000, 0.0000281200000000 ] - [ 0.0072092000000000, 0.0142768700000000, -0.0058130500000000 ] - [ -0.0000558400000000, -0.0229974400000000, -0.0106783900000000 ] - [ 0.0083687500000000, 0.0036378600000000, 0.0297267100000000 ] - [ 0.0000966200000000, 0.0004029500000000, 0.0002776500000000 ] - [ 0.0004993900000000, 0.0007618600000000, 0.0012244000000000 ] - [ -0.0000564200000000, -0.0001290300000000, 0.0004660200000000 ] - [ 0.0049936000000000, 0.0010455300000000, 0.0020131800000000 ] - [ 0.0012240500000000, -0.0007859700000000, 0.0002067000000000 ] - [ -0.0000815800000000, -0.0001477400000000, 0.0026232200000000 ] - [ 0.0003034500000000, 0.0005408000000000, 0.0021383300000000 ] - [ 0.0006906400000000, -0.0005465200000000, 0.0008770600000000 ] - [ 0.0000893100000000, 0.0000295600000000, 0.0006687700000000 ] - [ -0.2079729800000000, 0.0123962300000000, -0.0162626900000000 ] - [ -0.0010361700000000, -0.0008944600000000, -0.0013225100000000 ] - [ -0.0073554700000000, 0.0058856200000000, 0.0053621500000000 ] - [ -0.0050335500000000, 0.0034780600000000, -0.0011123500000000 ] - [ -0.0009150200000000, -0.0009769500000000, 0.0008291000000000 ] - [ -0.0000312300000000, 0.0005677100000000, 0.0005210400000000 ] - [ 0.0003502900000000, 0.0001105300000000, -0.0000041000000000 ] - [ 0.0003519500000000, -0.0013223600000000, -0.0013763000000000 ] - [ 0.0034569400000000, -0.0001061800000000, -0.0014568800000000 ] - [ 0.0040497200000000, 0.0007696800000000, 0.0009478500000000 ] - [ 0.0934289400000000, 0.0271815900000000, -0.0037226300000000 ] - [ 0.0011234000000000, -0.0014518200000000, -0.0012713100000000 ] - [ 0.0008689300000000, -0.0003788300000000, -0.0029979400000000 ] - [ 0.0000524100000000, -0.0003923400000000, -0.0004548500000000 ] - [ -0.0001691500000000, 0.0000148200000000, -0.0010116300000000 ] - [ -0.0001545700000000, -0.0000503400000000, -0.0007369400000000 ] - [ 0.0521095900000000, -0.0305408700000000, -0.0085835800000000 ] - [ -0.0001327500000000, -0.0007139900000000, 0.0004415400000000 ] - [ 0.0017892600000000, 0.0027489200000000, 0.0025413000000000 ] - [ -0.0007942400000000, -0.0006242700000000, 0.0007126800000000 ] - [ 0.0006501300000000, 0.0022121700000000, -0.0031446000000000 ] - [ -0.0001578100000000, -0.0011829100000000, -0.0024559400000000 ] - [ -0.0003639800000000, -0.0002415000000000, -0.0005147600000000 ] - [ -0.0005507700000000, -0.0000620900000000, 0.0001488900000000 ] - [ 0.0002081600000000, 0.0005035900000000, -0.0003148400000000 ] - [ 0.0002258800000000, 0.0005412100000000, -0.0007073200000000 ] - [ 0.0036502700000000, 0.0014156900000000, 0.0009074400000000 ] - [ 0.0201050200000000, 0.0123866100000000, 0.0049013400000000 ] - [ 0.0134131200000000, -0.0010133700000000, 0.0005366700000000 ] - [ 0.0007054000000000, -0.0017583100000000, 0.0009382700000000 ] - [ 0.0001923900000000, 0.0003688200000000, 0.0006557000000000 ] - [ 0.0001287300000000, -0.0002215100000000, -0.0000436000000000 ] - [ 0.0004680500000000, -0.0004066600000000, -0.0002868200000000 ] - [ 0.0004512300000000, -0.0000354700000000, -0.0003451400000000 ] - [ 0.0193529600000000, 0.0058570800000000, -0.0083727200000000 ] - [ 0.0017955400000000, 0.0002227600000000, 0.0000013400000000 ] - [ 0.0016922000000000, 0.0001794900000000, -0.0026530600000000 ] - [ 0.0004260100000000, -0.0006307400000000, 0.0006422300000000 ] - [ 0.0159194800000000, 0.0018731600000000, 0.0011055700000000 ] - [ 0.0017528900000000, 0.0002513700000000, -0.0004749800000000 ] - [ -0.0000095700000000, 0.0003204900000000, 0.0004909700000000 ] - [ 0.0000238100000000, 0.0001246900000000, 0.0000246900000000 ] - [ 0.0007472400000000, -0.0009923800000000, -0.0013753900000000 ] - [ 0.0005381700000000, 0.0000288100000000, 0.0009703500000000 ] - [ -0.0001598700000000, -0.0005010600000000, 0.0007351500000000 ] - [ -0.0001679900000000, 0.0012288200000000, 0.0033531900000000 ] - [ 0.0161185500000000, -0.0112457300000000, 0.0053392000000000 ] - [ 0.0000270800000000, -0.0006884000000000, 0.0006484700000000 ] - [ -0.0013717900000000, -0.0006870300000000, -0.0005159800000000 ] - [ 0.0006212400000000, 0.0022277400000000, -0.0024287700000000 ] - [ 0.0001431100000000, 0.0000880000000000, -0.0005669700000000 ] - [ 0.0000959400000000, 0.0001392000000000, 0.0002816700000000 ] - [ -0.0009192300000000, -0.0003055700000000, 0.0000728500000000 ] - [ -0.0000487400000000, 0.0005999700000000, -0.0001906100000000 ] - [ -0.0088042600000000, -0.0020955000000000, 0.0009567000000000 ] - [ -0.0012135300000000, 0.0015329100000000, -0.0008061100000000 ] - [ -0.0019683300000000, -0.0007376000000000, -0.0008986900000000 ] - [ -0.0002937500000000, -0.0000243200000000, 0.0000606400000000 ] - [ -0.0123336800000000, 0.0005269000000000, -0.0023868100000000 ] - [ -0.0016839600000000, 0.0003348700000000, -0.0000335200000000 ] - [ 0.0000703900000000, 0.0001546000000000, -0.0005996800000000 ] - [ 0.0000412600000000, -0.0002856500000000, -0.0003664700000000 ] - [ -0.0007833800000000, 0.0000260100000000, -0.0003429900000000 ] - [ -0.0010549300000000, -0.0002363400000000, -0.0003410100000000 ] - [ -0.0104581000000000, -0.0034493900000000, 0.0021534600000000 ] - [ -0.0005025500000000, 0.0001336000000000, 0.0004594800000000 ] - [ -0.0019130700000000, 0.0014059800000000, 0.0003315300000000 ] - [ -0.0108401900000000, -0.0028545700000000, 0.0003650700000000 ]- atom: 21 displacement: [ -0.0099999999959232, 0.0000000000000000, -0.0000002855446085 ] forces: - [ 0.0001603600000000, 0.0231660800000000, -0.0203796100000000 ] - [ -0.0035632100000000, -0.0077850200000000, -0.0035145400000000 ] - [ -0.0013606000000000, 0.0005132900000000, 0.0130088100000000 ] - [ 0.0005668800000000, -0.0002922100000000, 0.0001668900000000 ] - [ 0.0005339100000000, 0.0000928600000000, -0.0004397100000000 ] - [ 0.0002422800000000, -0.0000770100000000, 0.0000721200000000 ] - [ 0.0040658200000000, 0.0008741800000000, 0.0021896700000000 ] - [ 0.0012057600000000, 0.0002129100000000, -0.0003004200000000 ] - [ -0.0072030600000000, -0.0146201700000000, 0.0060135500000000 ] - [ -0.0000008400000000, 0.0223284500000000, 0.0108564600000000 ] - [ -0.0084936100000000, -0.0036167200000000, -0.0292981400000000 ] - [ -0.0002236600000000, -0.0004190800000000, -0.0001685800000000 ] - [ -0.0006969100000000, -0.0003026800000000, -0.0014766500000000 ] - [ -0.0001375900000000, 0.0005764300000000, -0.0007236300000000 ] - [ -0.0049582900000000, -0.0012085700000000, -0.0021926200000000 ] - [ -0.0011860100000000, 0.0006389500000000, -0.0003148200000000 ] - [ 0.0004028100000000, 0.0000957700000000, -0.0026288400000000 ] - [ 0.0000174000000000, -0.0005878200000000, -0.0021231900000000 ] - [ -0.0008519900000000, 0.0003927600000000, -0.0009401300000000 ] - [ -0.0002551200000000, -0.0001657300000000, -0.0007460700000000 ] - [ 0.2108530800000000, -0.0143750300000000, 0.0153080200000000 ] - [ 0.0011955000000000, 0.0005570300000000, 0.0014689200000000 ] - [ 0.0074461600000000, -0.0056628700000000, -0.0057551000000000 ] - [ 0.0051293800000000, -0.0032844800000000, 0.0006209800000000 ] - [ 0.0007989700000000, 0.0011455500000000, -0.0003956100000000 ] - [ -0.0000831000000000, -0.0003922200000000, -0.0001020500000000 ] - [ -0.0005273000000000, -0.0004804300000000, -0.0001424500000000 ] - [ -0.0005256500000000, 0.0009608800000000, 0.0012235600000000 ] - [ -0.0032917900000000, 0.0000134600000000, 0.0015802100000000 ] - [ -0.0038670900000000, -0.0009698900000000, -0.0008325400000000 ] - [ -0.0937724700000000, -0.0272019500000000, 0.0037405500000000 ] - [ -0.0014287300000000, 0.0014214600000000, 0.0012558300000000 ] - [ -0.0006504100000000, 0.0001075400000000, 0.0030789500000000 ] - [ 0.0002075400000000, 0.0001010700000000, 0.0005021700000000 ] - [ 0.0002543100000000, 0.0002526700000000, 0.0008852600000000 ] - [ 0.0002391200000000, 0.0003160300000000, 0.0006105100000000 ] - [ -0.0575184600000000, 0.0327595100000000, 0.0090079200000000 ] - [ 0.0001696500000000, 0.0007144200000000, -0.0003237700000000 ] - [ -0.0022974500000000, -0.0027223200000000, -0.0021879100000000 ] - [ 0.0002698100000000, 0.0006654300000000, -0.0003365500000000 ] - [ -0.0007978800000000, -0.0022039500000000, 0.0035309000000000 ] - [ -0.0000162500000000, 0.0012187500000000, 0.0028042000000000 ] - [ 0.0002035200000000, 0.0003889100000000, 0.0002273900000000 ] - [ 0.0003902800000000, 0.0002247000000000, -0.0004331200000000 ] - [ -0.0001227400000000, -0.0002147900000000, 0.0007884200000000 ] - [ -0.0001372900000000, -0.0002558500000000, 0.0011944200000000 ] - [ -0.0038295900000000, -0.0016148700000000, -0.0008330600000000 ] - [ -0.0202932200000000, -0.0122637000000000, -0.0046759900000000 ] - [ -0.0133169300000000, 0.0014736000000000, -0.0009008100000000 ] - [ -0.0006701000000000, 0.0020477800000000, -0.0009512500000000 ] - [ -0.0002569200000000, -0.0003780000000000, -0.0005404700000000 ] - [ -0.0001953100000000, 0.0002087700000000, 0.0001650200000000 ] - [ -0.0008196000000000, 0.0001319900000000, -0.0000840500000000 ] - [ -0.0007966400000000, -0.0002507600000000, -0.0000202400000000 ] - [ -0.0194199400000000, -0.0059193000000000, 0.0085579800000000 ] - [ -0.0016268500000000, -0.0001487800000000, -0.0001216600000000 ] - [ -0.0018349700000000, -0.0002131000000000, 0.0027153200000000 ] - [ -0.0005881700000000, 0.0006031300000000, -0.0005591100000000 ] - [ -0.0159332300000000, -0.0017576600000000, -0.0016559300000000 ] - [ -0.0015591600000000, -0.0000969200000000, 0.0000052900000000 ] - [ -0.0001609300000000, -0.0001534700000000, -0.0000089000000000 ] - [ -0.0001996700000000, 0.0000431400000000, 0.0004679500000000 ] - [ -0.0005824100000000, 0.0009689400000000, 0.0013045200000000 ] - [ -0.0003712700000000, -0.0000452900000000, -0.0010545600000000 ] - [ 0.0000141000000000, 0.0005860500000000, -0.0006155800000000 ] - [ 0.0000570900000000, -0.0011431100000000, -0.0032231100000000 ] - [ -0.0125680800000000, 0.0099105500000000, -0.0044051800000000 ] - [ 0.0003260100000000, 0.0003981400000000, -0.0002765800000000 ] - [ 0.0014359900000000, 0.0006593100000000, 0.0003810800000000 ] - [ -0.0005352000000000, -0.0022143200000000, 0.0022879300000000 ] - [ -0.0001767000000000, 0.0002102500000000, 0.0005806200000000 ] - [ -0.0001297400000000, 0.0001605300000000, -0.0002616700000000 ] - [ 0.0011092000000000, 0.0000968600000000, -0.0001504000000000 ] - [ 0.0002125100000000, -0.0008102500000000, 0.0001194200000000 ] - [ 0.0086844600000000, 0.0023362600000000, -0.0014730600000000 ] - [ 0.0011219900000000, -0.0012314000000000, 0.0003228600000000 ] - [ 0.0021139400000000, 0.0008914200000000, 0.0011461300000000 ] - [ 0.0004529700000000, 0.0001919900000000, 0.0002025500000000 ] - [ 0.0124582100000000, -0.0005288400000000, 0.0020358200000000 ] - [ 0.0018094400000000, -0.0003359600000000, -0.0003286000000000 ] - [ 0.0004338500000000, -0.0001136700000000, 0.0002219700000000 ] - [ 0.0004637800000000, 0.0003204200000000, -0.0000090700000000 ] - [ 0.0007399900000000, -0.0000013100000000, 0.0002356100000000 ] - [ 0.0010041100000000, 0.0002671100000000, 0.0002368200000000 ] - [ 0.0103896900000000, 0.0037548800000000, -0.0020690900000000 ] - [ 0.0004124000000000, 0.0001158100000000, -0.0003316400000000 ] - [ 0.0016515400000000, -0.0016859800000000, -0.0004094700000000 ] - [ 0.0105883200000000, 0.0026294500000000, -0.0004070400000000 ]- atom: 21 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0204634200000000, 0.0201534100000000, -0.0151137600000000 ] - [ 0.0251472700000000, 0.0225913500000000, 0.0161179100000000 ] - [ 0.0046951800000000, -0.0113689900000000, -0.0011665600000000 ] - [ -0.0010845100000000, 0.0058615500000000, 0.0000347200000000 ] - [ -0.0005636700000000, -0.0000729300000000, 0.0008288000000000 ] - [ 0.0003590900000000, -0.0001185700000000, -0.0005514800000000 ] - [ -0.0012805000000000, -0.0164968700000000, -0.0084895800000000 ] - [ -0.0006754600000000, 0.0056194700000000, 0.0013946800000000 ] - [ 0.0201136400000000, 0.0223166700000000, -0.0077736500000000 ] - [ -0.0344723600000000, 0.0251353600000000, 0.0109089000000000 ] - [ 0.0029850000000000, -0.0231122700000000, -0.0006556800000000 ] - [ -0.0001879800000000, 0.0074759100000000, -0.0006823900000000 ] - [ 0.0009098000000000, 0.0003899700000000, 0.0024937000000000 ] - [ -0.0004232900000000, 0.0001488200000000, -0.0014567600000000 ] - [ 0.0005337400000000, -0.0094408300000000, 0.0007412900000000 ] - [ 0.0007125900000000, 0.0063308000000000, 0.0006874700000000 ] - [ -0.0005063900000000, 0.0025018200000000, -0.0029111000000000 ] - [ 0.0002313100000000, -0.0002897900000000, 0.0064853300000000 ] - [ 0.0006073200000000, -0.0033196400000000, -0.0002324500000000 ] - [ -0.0004045800000000, 0.0036030700000000, 0.0003193200000000 ] - [ 0.0137928200000000, -0.2714203400000000, -0.0084070200000000 ] - [ -0.0006384700000000, 0.0216871200000000, -0.0021789000000000 ] - [ -0.0095837400000000, 0.0232442800000000, 0.0286832200000000 ] - [ -0.0023359400000000, 0.0171889000000000, -0.0194512000000000 ] - [ -0.0012061800000000, -0.0050530600000000, 0.0000518200000000 ] - [ 0.0005927700000000, 0.0050077500000000, 0.0005779500000000 ] - [ 0.0010551900000000, 0.0014513500000000, -0.0029381200000000 ] - [ -0.0003808000000000, 0.0014704300000000, 0.0047180400000000 ] - [ -0.0004533600000000, 0.0026205100000000, 0.0027159100000000 ] - [ 0.0007208800000000, -0.0001574200000000, -0.0029204900000000 ] - [ -0.0286976300000000, -0.0264526100000000, 0.0004557800000000 ] - [ 0.0022035900000000, 0.0101892600000000, -0.0025858000000000 ] - [ 0.0036199800000000, 0.0012493000000000, 0.0047327200000000 ] - [ -0.0002650700000000, -0.0037791900000000, -0.0055118100000000 ] - [ -0.0002152300000000, 0.0012548000000000, 0.0005699900000000 ] - [ 0.0001759600000000, -0.0012404800000000, -0.0016510000000000 ] - [ -0.0114240300000000, 0.0294596200000000, 0.0015614100000000 ] - [ -0.0002129400000000, -0.0070224600000000, 0.0022322900000000 ] - [ 0.0068100000000000, 0.0021029200000000, -0.0037217500000000 ] - [ -0.0033142800000000, -0.0029913300000000, 0.0027229900000000 ] - [ 0.0001272800000000, -0.0033981100000000, 0.0024890700000000 ] - [ -0.0023699200000000, 0.0039980500000000, -0.0091820200000000 ] - [ -0.0000396200000000, -0.0017453700000000, -0.0015017800000000 ] - [ -0.0003780700000000, 0.0011744400000000, 0.0010812800000000 ] - [ 0.0007889500000000, 0.0024669700000000, -0.0005961200000000 ] - [ 0.0000510300000000, -0.0016206800000000, 0.0008952000000000 ] - [ -0.0002607800000000, -0.0150558100000000, -0.0003824500000000 ] - [ 0.0129091600000000, 0.1156943300000000, 0.0395500000000000 ] - [ -0.0005133100000000, 0.0112624700000000, 0.0077683300000000 ] - [ 0.0007677300000000, -0.0096731500000000, 0.0024296200000000 ] - [ 0.0003134600000000, 0.0017883300000000, 0.0010162800000000 ] - [ 0.0000602500000000, -0.0016014900000000, -0.0000933900000000 ] - [ -0.0001778700000000, -0.0009385800000000, 0.0012726500000000 ] - [ 0.0002764100000000, -0.0005878700000000, -0.0013706500000000 ] - [ 0.0061926400000000, 0.0428370700000000, -0.0286090700000000 ] - [ 0.0001846600000000, -0.0115190900000000, -0.0001443900000000 ] - [ -0.0013776700000000, 0.0064498000000000, -0.0053111100000000 ] - [ 0.0007305300000000, -0.0038898500000000, 0.0030358500000000 ] - [ 0.0060696300000000, 0.0053533400000000, -0.0162450000000000 ] - [ 0.0017072400000000, -0.0100630400000000, 0.0032207500000000 ] - [ -0.0005789900000000, 0.0022926700000000, 0.0002928300000000 ] - [ -0.0001201200000000, -0.0014952800000000, 0.0005456900000000 ] - [ 0.0008813300000000, -0.0040320600000000, -0.0045730000000000 ] - [ -0.0001581400000000, 0.0014753500000000, 0.0043810200000000 ] - [ -0.0005836200000000, -0.0035046000000000, 0.0036773700000000 ] - [ 0.0027372500000000, 0.0030498200000000, -0.0093831400000000 ] - [ 0.0083761200000000, 0.0239516500000000, 0.0050168100000000 ] - [ -0.0009914200000000, -0.0067100500000000, -0.0005052200000000 ] - [ -0.0046547700000000, -0.0040033600000000, -0.0032541600000000 ] - [ 0.0033675600000000, 0.0014821300000000, 0.0026446900000000 ] - [ 0.0002831400000000, 0.0012376100000000, 0.0001582000000000 ] - [ -0.0002223800000000, -0.0014825600000000, -0.0008804200000000 ] - [ -0.0028036300000000, 0.0014955200000000, 0.0018514600000000 ] - [ 0.0004098300000000, -0.0022634000000000, -0.0002490500000000 ] - [ -0.0016741400000000, 0.0038861600000000, -0.0012043400000000 ] - [ 0.0006701500000000, -0.0026362100000000, 0.0014182900000000 ] - [ 0.0000127600000000, 0.0026066500000000, -0.0005672600000000 ] - [ 0.0000463300000000, -0.0016598100000000, 0.0009832400000000 ] - [ 0.0013932400000000, 0.0045887700000000, 0.0000110800000000 ] - [ 0.0005558600000000, -0.0080812400000000, 0.0007637200000000 ] - [ 0.0001657400000000, 0.0014904400000000, -0.0001209600000000 ] - [ 0.0000733900000000, -0.0015184000000000, -0.0005563500000000 ] - [ -0.0000669500000000, -0.0013516500000000, -0.0000373800000000 ] - [ -0.0003942500000000, 0.0008169800000000, -0.0010088900000000 ] - [ 0.0014615000000000, 0.0042566600000000, -0.0004253400000000 ] - [ -0.0001517300000000, -0.0033907900000000, 0.0017422400000000 ] - [ 0.0003866200000000, -0.0065888000000000, -0.0007102900000000 ] - [ 0.0000412800000000, 0.0084384400000000, 0.0000313500000000 ]- atom: 21 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0201913800000000, -0.0202617200000000, 0.0150663600000000 ] - [ -0.0253355000000000, -0.0228627000000000, -0.0161149000000000 ] - [ -0.0044779900000000, 0.0118032100000000, 0.0013699600000000 ] - [ 0.0012707600000000, -0.0054062500000000, 0.0002511600000000 ] - [ 0.0006786800000000, 0.0000386900000000, -0.0009461100000000 ] - [ -0.0002411500000000, 0.0001027400000000, 0.0004289900000000 ] - [ 0.0012059300000000, 0.0160896400000000, 0.0082462700000000 ] - [ 0.0005953000000000, -0.0060602700000000, -0.0017081900000000 ] - [ -0.0198127100000000, -0.0226343100000000, 0.0079435600000000 ] - [ 0.0349224600000000, -0.0257923100000000, -0.0107682800000000 ] - [ -0.0031853500000000, 0.0230176800000000, 0.0006304600000000 ] - [ 0.0000840900000000, -0.0075054800000000, 0.0008243600000000 ] - [ -0.0010995500000000, 0.0000595700000000, -0.0027652800000000 ] - [ 0.0002306800000000, 0.0003124200000000, 0.0011814400000000 ] - [ -0.0004998200000000, 0.0093082100000000, -0.0008341500000000 ] - [ -0.0006754800000000, -0.0064936200000000, -0.0008086700000000 ] - [ 0.0008254100000000, -0.0025629600000000, 0.0028866600000000 ] - [ 0.0000836400000000, 0.0002558700000000, -0.0065265300000000 ] - [ -0.0007690700000000, 0.0031747200000000, 0.0001333400000000 ] - [ 0.0002378500000000, -0.0037466900000000, -0.0004147500000000 ] - [ -0.0128785500000000, 0.2769935700000000, 0.0129438600000000 ] - [ 0.0008120200000000, -0.0220206700000000, 0.0023716400000000 ] - [ 0.0096617400000000, -0.0229803700000000, -0.0289315600000000 ] - [ 0.0024335800000000, -0.0169647400000000, 0.0191783000000000 ] - [ 0.0010868900000000, 0.0052195500000000, 0.0003574100000000 ] - [ -0.0007046500000000, -0.0048308300000000, -0.0001684000000000 ] - [ -0.0012277600000000, -0.0018421200000000, 0.0027683200000000 ] - [ 0.0002111300000000, -0.0018232500000000, -0.0049008100000000 ] - [ 0.0006155000000000, -0.0027854500000000, -0.0026179100000000 ] - [ -0.0005540200000000, 0.0000558400000000, 0.0030145800000000 ] - [ 0.0284370300000000, 0.0264107400000000, -0.0004380400000000 ] - [ -0.0025265800000000, -0.0102311300000000, 0.0026137300000000 ] - [ -0.0033692300000000, -0.0015165500000000, -0.0046504900000000 ] - [ 0.0005263600000000, 0.0034989100000000, 0.0056125700000000 ] - [ 0.0003016100000000, -0.0009806600000000, -0.0006811700000000 ] - [ -0.0000878700000000, 0.0015085900000000, 0.0015430500000000 ] - [ 0.0110356000000000, -0.0295816900000000, -0.0015414600000000 ] - [ 0.0002790900000000, 0.0070506700000000, -0.0021329200000000 ] - [ -0.0073093600000000, -0.0020553800000000, 0.0040847700000000 ] - [ 0.0028120500000000, 0.0030174900000000, -0.0023573700000000 ] - [ -0.0002595100000000, 0.0034330000000000, -0.0021079800000000 ] - [ 0.0022443200000000, -0.0039858900000000, 0.0095984100000000 ] - [ -0.0001181600000000, 0.0019089900000000, 0.0012296000000000 ] - [ 0.0002169800000000, -0.0010205600000000, -0.0013476200000000 ] - [ -0.0007048800000000, -0.0021950900000000, 0.0010912100000000 ] - [ 0.0000399000000000, 0.0019079100000000, -0.0003976300000000 ] - [ 0.0000956000000000, 0.0147699000000000, 0.0004729900000000 ] - [ -0.0141558400000000, -0.1230379100000000, -0.0427213700000000 ] - [ 0.0005226300000000, -0.0112230400000000, -0.0076486500000000 ] - [ -0.0007272400000000, 0.0099745500000000, -0.0024797100000000 ] - [ -0.0003774600000000, -0.0017939900000000, -0.0008835100000000 ] - [ -0.0001246400000000, 0.0015891500000000, 0.0002158300000000 ] - [ -0.0001715300000000, 0.0006640400000000, -0.0016337100000000 ] - [ -0.0006265600000000, 0.0002944400000000, 0.0010210400000000 ] - [ -0.0058099800000000, -0.0421795000000000, 0.0268038900000000 ] - [ -0.0000382200000000, 0.0116396600000000, 0.0000573500000000 ] - [ 0.0012035600000000, -0.0064548200000000, 0.0053755400000000 ] - [ -0.0008956700000000, 0.0038512800000000, -0.0029546800000000 ] - [ -0.0053400300000000, -0.0039067400000000, 0.0166273600000000 ] - [ -0.0015337700000000, 0.0102399300000000, -0.0037899100000000 ] - [ 0.0004090200000000, -0.0021364400000000, 0.0002050700000000 ] - [ -0.0000569100000000, 0.0016637800000000, -0.0000413500000000 ] - [ -0.0007101700000000, 0.0040126100000000, 0.0044958500000000 ] - [ 0.0003279100000000, -0.0015042900000000, -0.0044403900000000 ] - [ 0.0004259700000000, 0.0035954500000000, -0.0035306300000000 ] - [ -0.0029066100000000, -0.0029782800000000, 0.0095367100000000 ] - [ -0.0081306400000000, -0.0244041200000000, -0.0047416600000000 ] - [ 0.0013237100000000, 0.0064153900000000, 0.0008551800000000 ] - [ 0.0047202000000000, 0.0040056700000000, 0.0031280700000000 ] - [ -0.0032976900000000, -0.0015068100000000, -0.0027607700000000 ] - [ -0.0003183400000000, -0.0009335800000000, -0.0001324300000000 ] - [ 0.0001856500000000, 0.0017785300000000, 0.0009103500000000 ] - [ 0.0029805100000000, -0.0016995900000000, -0.0019309000000000 ] - [ -0.0002485900000000, 0.0020456800000000, 0.0001883400000000 ] - [ 0.0015665100000000, -0.0035618000000000, 0.0007165000000000 ] - [ -0.0007687500000000, 0.0029049500000000, -0.0019281000000000 ] - [ 0.0001454100000000, -0.0024368000000000, 0.0008432500000000 ] - [ 0.0001107100000000, 0.0018124800000000, -0.0007116500000000 ] - [ -0.0012654500000000, -0.0045164800000000, -0.0004124500000000 ] - [ -0.0004237400000000, 0.0081032300000000, -0.0011294400000000 ] - [ 0.0003373800000000, -0.0014514100000000, -0.0002491700000000 ] - [ 0.0004293900000000, 0.0015586700000000, 0.0001859200000000 ] - [ 0.0000203300000000, 0.0013828300000000, -0.0000624100000000 ] - [ 0.0003495600000000, -0.0007983800000000, 0.0009080900000000 ] - [ -0.0015567500000000, -0.0040186200000000, 0.0005723200000000 ] - [ 0.0000651700000000, 0.0036690200000000, -0.0016376800000000 ] - [ -0.0006472100000000, 0.0063180100000000, 0.0006317200000000 ] - [ -0.0002902200000000, -0.0087739300000000, -0.0001405800000000 ]- atom: 21 displacement: [ -0.0014701282124378, 0.0000000000000000, 0.0098913458659069 ] forces: - [ 0.0189091400000000, -0.0128271600000000, -0.0071632100000000 ] - [ 0.0089766500000000, 0.0093119100000000, 0.0006771600000000 ] - [ -0.0165704700000000, 0.0046519800000000, 0.0191118100000000 ] - [ -0.0013111400000000, -0.0008804200000000, 0.0004519800000000 ] - [ -0.0005818600000000, 0.0004069500000000, 0.0056959700000000 ] - [ -0.0010604100000000, -0.0009396000000000, 0.0056346900000000 ] - [ -0.0000294500000000, 0.0064069000000000, 0.0349846200000000 ] - [ -0.0000641300000000, -0.0004530700000000, 0.0021442900000000 ] - [ -0.0129046700000000, -0.0165959100000000, -0.0143504600000000 ] - [ -0.0131114200000000, 0.0133152100000000, -0.0064363900000000 ] - [ 0.0285715900000000, 0.0027763000000000, 0.0167348200000000 ] - [ 0.0017320500000000, -0.0005503900000000, -0.0025226800000000 ] - [ 0.0010227700000000, 0.0014537700000000, 0.0054279200000000 ] - [ 0.0010549600000000, -0.0007960400000000, 0.0061340300000000 ] - [ -0.0008605000000000, 0.0007764400000000, 0.0003203100000000 ] - [ -0.0000371600000000, -0.0004769400000000, 0.0005397800000000 ] - [ 0.0011259000000000, -0.0041711500000000, 0.0080670200000000 ] - [ 0.0001306700000000, 0.0024051000000000, 0.0091438600000000 ] - [ -0.0000049900000000, -0.0005991000000000, 0.0079638200000000 ] - [ 0.0005245100000000, -0.0000800100000000, 0.0050654500000000 ] - [ 0.0148958500000000, -0.0135809500000000, -0.2174701700000000 ] - [ -0.0011357400000000, -0.0023108300000000, -0.0099212400000000 ] - [ -0.0039631100000000, 0.0184868100000000, 0.0123184500000000 ] - [ 0.0055393400000000, -0.0360570700000000, 0.0092288700000000 ] - [ -0.0001257000000000, 0.0003129000000000, 0.0108558200000000 ] - [ -0.0009602700000000, -0.0003598000000000, 0.0065345100000000 ] - [ -0.0014375900000000, -0.0049815800000000, 0.0082170600000000 ] - [ -0.0000801000000000, 0.0028024600000000, 0.0084040400000000 ] - [ -0.0015667000000000, 0.0036653200000000, -0.0008675200000000 ] - [ -0.0010986800000000, -0.0043362600000000, -0.0017129500000000 ] - [ -0.0109185400000000, -0.0031595500000000, -0.0151896700000000 ] - [ 0.0005080800000000, -0.0009593600000000, -0.0085574200000000 ] - [ -0.0046081100000000, 0.0031654400000000, -0.0049573700000000 ] - [ 0.0001279500000000, -0.0010863700000000, -0.0021607500000000 ] - [ -0.0006056200000000, -0.0010680300000000, -0.0044083000000000 ] - [ -0.0006054200000000, -0.0009442900000000, -0.0043889400000000 ] - [ -0.0205151200000000, 0.0067206300000000, 0.0203872500000000 ] - [ -0.0000622400000000, -0.0012609800000000, 0.0032590800000000 ] - [ 0.0040409200000000, -0.0030371700000000, -0.0006704200000000 ] - [ 0.0047959800000000, 0.0043422800000000, -0.0010954100000000 ] - [ -0.0006174000000000, 0.0006331400000000, -0.0005511700000000 ] - [ -0.0037537000000000, -0.0046545500000000, -0.0050300500000000 ] - [ 0.0000236700000000, -0.0010058200000000, -0.0025152500000000 ] - [ 0.0010328300000000, 0.0006968500000000, -0.0036316900000000 ] - [ -0.0008630600000000, 0.0014669900000000, -0.0058059000000000 ] - [ -0.0000201600000000, 0.0022408400000000, -0.0036051600000000 ] - [ -0.0006828900000000, 0.0067183300000000, 0.0064165800000000 ] - [ 0.0029597100000000, 0.0354722600000000, 0.0311780000000000 ] - [ -0.0032467100000000, 0.0069799100000000, 0.0198386100000000 ] - [ 0.0004659000000000, -0.0042775000000000, 0.0040179000000000 ] - [ 0.0002760900000000, -0.0012491600000000, -0.0054282400000000 ] - [ 0.0004024600000000, -0.0001682400000000, -0.0019860700000000 ] - [ -0.0003704500000000, 0.0031883100000000, -0.0054734100000000 ] - [ -0.0000511600000000, -0.0003283500000000, -0.0031570100000000 ] - [ -0.0097937000000000, -0.0289067900000000, 0.0653809200000000 ] - [ 0.0004070000000000, -0.0037859600000000, 0.0016170000000000 ] - [ -0.0018921300000000, -0.0016447400000000, -0.0070730600000000 ] - [ -0.0018477800000000, 0.0054769800000000, -0.0060322700000000 ] - [ 0.0059182400000000, 0.0023427500000000, 0.0146533400000000 ] - [ -0.0013372000000000, 0.0048582100000000, 0.0100876400000000 ] - [ 0.0013643700000000, 0.0013997700000000, -0.0066033100000000 ] - [ 0.0002850000000000, 0.0022840200000000, -0.0040995400000000 ] - [ 0.0007051300000000, -0.0018786800000000, -0.0040271000000000 ] - [ 0.0001283400000000, 0.0005521000000000, -0.0084244000000000 ] - [ 0.0011310700000000, 0.0017939200000000, -0.0014336600000000 ] - [ 0.0039353900000000, -0.0059686200000000, -0.0053558600000000 ] - [ 0.0077598200000000, 0.0015713200000000, 0.0210294300000000 ] - [ -0.0001702800000000, 0.0019783500000000, 0.0049050100000000 ] - [ -0.0025565400000000, -0.0023594300000000, -0.0017354600000000 ] - [ -0.0058322100000000, 0.0038032400000000, -0.0035404400000000 ] - [ 0.0005341300000000, -0.0012875100000000, -0.0049615400000000 ] - [ 0.0006516800000000, -0.0008298300000000, -0.0043706700000000 ] - [ 0.0040986100000000, 0.0028588000000000, -0.0050652200000000 ] - [ 0.0001340000000000, -0.0003407700000000, -0.0010022600000000 ] - [ -0.0022337700000000, 0.0000737200000000, 0.0039292900000000 ] - [ 0.0000264700000000, 0.0025165300000000, 0.0044585200000000 ] - [ -0.0004494000000000, -0.0013382800000000, -0.0031955600000000 ] - [ -0.0001642600000000, 0.0018598200000000, -0.0017453800000000 ] - [ 0.0040932400000000, -0.0026709000000000, 0.0053612900000000 ] - [ -0.0000708200000000, -0.0023007600000000, 0.0020747600000000 ] - [ -0.0004015300000000, -0.0002940000000000, -0.0024291500000000 ] - [ -0.0001711600000000, -0.0005346600000000, -0.0018211700000000 ] - [ 0.0001034100000000, 0.0008538100000000, -0.0018775800000000 ] - [ -0.0000703200000000, -0.0006201100000000, -0.0025457100000000 ] - [ 0.0035757000000000, 0.0011314900000000, 0.0041258000000000 ] - [ 0.0002166700000000, -0.0020215900000000, 0.0033201500000000 ] - [ -0.0007311000000000, 0.0034394800000000, 0.0022436100000000 ] - [ -0.0006384500000000, 0.0027869500000000, 0.0044557400000000 ]- atom: 21 displacement: [ 0.0014701282124378, 0.0000000000000000, -0.0098913458659069 ] forces: - [ -0.0189726800000000, 0.0126601700000000, 0.0073428700000000 ] - [ -0.0088774800000000, -0.0093490600000000, -0.0004581200000000 ] - [ 0.0165334100000000, -0.0041559900000000, -0.0186134200000000 ] - [ 0.0014955900000000, 0.0013261600000000, -0.0001959600000000 ] - [ 0.0006922400000000, -0.0004225800000000, -0.0057885200000000 ] - [ 0.0011683800000000, 0.0009030900000000, -0.0057238600000000 ] - [ -0.0000546500000000, -0.0067862800000000, -0.0354986600000000 ] - [ -0.0000224500000000, 0.0000217200000000, -0.0023918200000000 ] - [ 0.0129793300000000, 0.0161359200000000, 0.0146221700000000 ] - [ 0.0130774600000000, -0.0136926100000000, 0.0068064200000000 ] - [ -0.0282899900000000, -0.0027613800000000, -0.0164882800000000 ] - [ -0.0018401700000000, 0.0005226900000000, 0.0026072400000000 ] - [ -0.0012051200000000, -0.0009851000000000, -0.0056770400000000 ] - [ -0.0012393000000000, 0.0012407300000000, -0.0063727300000000 ] - [ 0.0009110000000000, -0.0009300600000000, -0.0003846800000000 ] - [ 0.0000795100000000, 0.0003264200000000, -0.0006294100000000 ] - [ -0.0008091600000000, 0.0041316200000000, -0.0080387000000000 ] - [ 0.0001841400000000, -0.0024623200000000, -0.0091135200000000 ] - [ -0.0001660400000000, 0.0004540700000000, -0.0080176800000000 ] - [ -0.0006880500000000, -0.0000667600000000, -0.0051355300000000 ] - [ -0.0154541100000000, 0.0113451400000000, 0.2197108600000000 ] - [ 0.0012965300000000, 0.0019777800000000, 0.0100267500000000 ] - [ 0.0040615000000000, -0.0181598000000000, -0.0126923600000000 ] - [ -0.0053748700000000, 0.0358482800000000, -0.0095738700000000 ] - [ 0.0000171100000000, -0.0001372700000000, -0.0103851500000000 ] - [ 0.0008415600000000, 0.0005261900000000, -0.0060896700000000 ] - [ 0.0012637500000000, 0.0046201700000000, -0.0083297700000000 ] - [ -0.0000870200000000, -0.0031778400000000, -0.0085453500000000 ] - [ 0.0017128500000000, -0.0037889200000000, 0.0009207600000000 ] - [ 0.0012574800000000, 0.0041725500000000, 0.0017547400000000 ] - [ 0.0106254600000000, 0.0030788000000000, 0.0151181800000000 ] - [ -0.0008133300000000, 0.0009313600000000, 0.0085179500000000 ] - [ 0.0048729400000000, -0.0034519900000000, 0.0050254500000000 ] - [ 0.0001305100000000, 0.0008035100000000, 0.0021970600000000 ] - [ 0.0006908400000000, 0.0013293000000000, 0.0042713800000000 ] - [ 0.0006895700000000, 0.0012150100000000, 0.0042583400000000 ] - [ 0.0209385900000000, -0.0067402100000000, -0.0206169200000000 ] - [ 0.0001028300000000, 0.0012581400000000, -0.0031310900000000 ] - [ -0.0045131900000000, 0.0030396700000000, 0.0010478000000000 ] - [ -0.0052585300000000, -0.0042631800000000, 0.0014634900000000 ] - [ 0.0004754800000000, -0.0006072100000000, 0.0008941800000000 ] - [ 0.0036224300000000, 0.0047208400000000, 0.0053737100000000 ] - [ -0.0001794900000000, 0.0011611600000000, 0.0022385700000000 ] - [ -0.0011789700000000, -0.0005255400000000, 0.0033471700000000 ] - [ 0.0009518000000000, -0.0011734800000000, 0.0062710400000000 ] - [ 0.0001106200000000, -0.0019518500000000, 0.0040790100000000 ] - [ 0.0005288400000000, -0.0069366300000000, -0.0063316600000000 ] - [ -0.0032916400000000, -0.0364702600000000, -0.0312301600000000 ] - [ 0.0030526500000000, -0.0074473800000000, -0.0177081700000000 ] - [ -0.0004319700000000, 0.0045479000000000, -0.0040086900000000 ] - [ -0.0003392300000000, 0.0012290100000000, 0.0055118000000000 ] - [ -0.0004630000000000, 0.0001590900000000, 0.0021029600000000 ] - [ 0.0000215300000000, -0.0034776600000000, 0.0050912100000000 ] - [ -0.0002932400000000, 0.0000483600000000, 0.0027803300000000 ] - [ 0.0105765000000000, 0.0318573100000000, -0.0695896800000000 ] - [ -0.0002544900000000, 0.0038176400000000, -0.0017385300000000 ] - [ 0.0017031500000000, 0.0015857900000000, 0.0070992100000000 ] - [ 0.0016638900000000, -0.0054525900000000, 0.0060716700000000 ] - [ -0.0055756700000000, -0.0017845600000000, -0.0150452400000000 ] - [ 0.0015147100000000, -0.0046950100000000, -0.0105035200000000 ] - [ -0.0015349400000000, -0.0012250200000000, 0.0070746900000000 ] - [ -0.0004585300000000, -0.0021107600000000, 0.0045765600000000 ] - [ -0.0005333600000000, 0.0018453500000000, 0.0039374300000000 ] - [ 0.0000388300000000, -0.0005624700000000, 0.0083125800000000 ] - [ -0.0012735700000000, -0.0017048300000000, 0.0015316400000000 ] - [ -0.0041067300000000, 0.0061103900000000, 0.0054753500000000 ] - [ -0.0076095400000000, -0.0017166800000000, -0.0208103000000000 ] - [ 0.0005189100000000, -0.0022620700000000, -0.0045232700000000 ] - [ 0.0026096700000000, 0.0023304600000000, 0.0016158600000000 ] - [ 0.0058346600000000, -0.0037761700000000, 0.0033979900000000 ] - [ -0.0005693200000000, 0.0015755400000000, 0.0049608500000000 ] - [ -0.0006848500000000, 0.0011316200000000, 0.0043831300000000 ] - [ -0.0039370300000000, -0.0030746800000000, 0.0049857400000000 ] - [ 0.0000273300000000, 0.0001432600000000, 0.0009198000000000 ] - [ 0.0021348100000000, 0.0002407700000000, -0.0043676100000000 ] - [ -0.0001141400000000, -0.0022217400000000, -0.0049109900000000 ] - [ 0.0006032500000000, 0.0014795100000000, 0.0034559000000000 ] - [ 0.0003195900000000, -0.0016883300000000, 0.0020167900000000 ] - [ -0.0039910500000000, 0.0027154500000000, -0.0057696600000000 ] - [ 0.0002126600000000, 0.0022807200000000, -0.0024383600000000 ] - [ 0.0008981000000000, 0.0003328600000000, 0.0020463100000000 ] - [ 0.0006696400000000, 0.0005715400000000, 0.0014422600000000 ] - [ -0.0001497400000000, -0.0008333400000000, 0.0017598500000000 ] - [ 0.0000182200000000, 0.0006412200000000, 0.0024295800000000 ] - [ -0.0036445600000000, -0.0008731500000000, -0.0039341500000000 ] - [ -0.0003005400000000, 0.0022756900000000, -0.0031761300000000 ] - [ 0.0004690500000000, -0.0037072900000000, -0.0023239300000000 ] - [ 0.0003828700000000, -0.0030599100000000, -0.0045724900000000 ]- atom: 23 displacement: [ 0.0099999999959232, 0.0000000000000000, 0.0000002855446085 ] forces: - [ -0.0001563200000000, 0.0005631100000000, 0.0030939200000000 ] - [ -0.0003721600000000, -0.0006657600000000, -0.0000858800000000 ] - [ 0.0000309000000000, 0.0289811900000000, -0.0078133900000000 ] - [ 0.0101713500000000, -0.0233584600000000, -0.0053676100000000 ] - [ 0.0023310800000000, 0.0008580300000000, -0.0118677300000000 ] - [ 0.0000121000000000, -0.0001958600000000, -0.0007564700000000 ] - [ -0.0002074000000000, -0.0004061600000000, -0.0010884700000000 ] - [ -0.0000859900000000, -0.0002269800000000, -0.0006577000000000 ] - [ 0.0023723300000000, 0.0015301700000000, -0.0077681100000000 ] - [ 0.0003013200000000, -0.0006703300000000, -0.0006472200000000 ] - [ 0.0150124700000000, -0.0283665000000000, 0.0007136700000000 ] - [ 0.0006283900000000, 0.0255354100000000, -0.0051200300000000 ] - [ 0.0058803000000000, -0.0028041400000000, 0.0305062700000000 ] - [ -0.0003383200000000, 0.0002438600000000, 0.0005435400000000 ] - [ 0.0002372300000000, -0.0002186800000000, -0.0002408300000000 ] - [ 0.0001974800000000, 0.0000422100000000, -0.0002876800000000 ] - [ 0.0009506300000000, 0.0006778900000000, 0.0002495400000000 ] - [ 0.0002680800000000, -0.0001800700000000, -0.0006732800000000 ] - [ 0.0032520800000000, -0.0014198200000000, -0.0009865000000000 ] - [ 0.0033134800000000, -0.0008625100000000, -0.0002086100000000 ] - [ -0.0072893500000000, -0.0097030100000000, -0.0050274000000000 ] - [ -0.0050208300000000, -0.0026214400000000, 0.0049090300000000 ] - [ -0.2376424700000000, 0.0142335300000000, 0.0076665300000000 ] - [ -0.0024959000000000, -0.0002977700000000, 0.0010277200000000 ] - [ -0.0041526400000000, -0.0039863700000000, 0.0030677600000000 ] - [ -0.0041663900000000, -0.0050169900000000, -0.0024949200000000 ] - [ -0.0009414900000000, 0.0009668900000000, -0.0002697700000000 ] - [ -0.0000594100000000, -0.0008276300000000, -0.0009807300000000 ] - [ 0.0938907400000000, -0.0197010400000000, -0.0008394500000000 ] - [ 0.0030010500000000, 0.0014894200000000, 0.0009866500000000 ] - [ 0.0038115400000000, 0.0007018200000000, 0.0013121000000000 ] - [ 0.0042528800000000, -0.0005526600000000, 0.0012258700000000 ] - [ 0.0001490500000000, -0.0003314000000000, -0.0000175300000000 ] - [ 0.0000301300000000, -0.0001404500000000, 0.0003087600000000 ] - [ -0.0031281800000000, 0.0012422800000000, -0.0010563600000000 ] - [ -0.0003786500000000, 0.0005926700000000, 0.0002223900000000 ] - [ 0.0022605100000000, -0.0024954200000000, -0.0027504000000000 ] - [ -0.0007733400000000, 0.0004996900000000, -0.0008182700000000 ] - [ 0.0515020900000000, 0.0208019900000000, -0.0048210400000000 ] - [ -0.0002008200000000, 0.0019500900000000, -0.0005042200000000 ] - [ -0.0002416600000000, -0.0000820500000000, 0.0000690800000000 ] - [ 0.0000366700000000, 0.0001742000000000, 0.0004914200000000 ] - [ -0.0097350800000000, 0.0029579900000000, 0.0024555300000000 ] - [ -0.0020908300000000, -0.0006544900000000, 0.0010438300000000 ] - [ -0.0002591800000000, 0.0002614700000000, 0.0006267400000000 ] - [ -0.0005809800000000, 0.0002063200000000, 0.0009041900000000 ] - [ 0.0031604500000000, -0.0010217500000000, -0.0012150100000000 ] - [ 0.0006194700000000, 0.0025875300000000, 0.0007283500000000 ] - [ 0.0046472800000000, 0.0022485300000000, -0.0024366900000000 ] - [ 0.0148061700000000, -0.0041660500000000, 0.0011764500000000 ] - [ 0.0011192900000000, -0.0021831800000000, 0.0038496300000000 ] - [ -0.0009251500000000, 0.0010082800000000, 0.0012952900000000 ] - [ -0.0000370600000000, -0.0006645800000000, 0.0006582800000000 ] - [ -0.0001929600000000, 0.0000138300000000, 0.0001464800000000 ] - [ 0.0010206000000000, 0.0002665800000000, 0.0022087800000000 ] - [ 0.0006255200000000, 0.0010708200000000, -0.0006639900000000 ] - [ 0.0185850900000000, -0.0032730600000000, 0.0044448000000000 ] - [ 0.0021753100000000, 0.0008446200000000, -0.0009961700000000 ] - [ 0.0255333000000000, -0.0176364000000000, -0.0259062700000000 ] - [ 0.0023684700000000, -0.0000978200000000, 0.0000856000000000 ] - [ 0.0005691900000000, 0.0011123300000000, -0.0000068800000000 ] - [ 0.0001376100000000, -0.0003784700000000, 0.0022344100000000 ] - [ 0.0114640000000000, 0.0062967200000000, 0.0104425100000000 ] - [ 0.0027540900000000, 0.0002897900000000, 0.0011876600000000 ] - [ 0.0003477100000000, -0.0005478200000000, 0.0010456600000000 ] - [ -0.0001674200000000, 0.0002796500000000, 0.0005965400000000 ] - [ -0.0013905800000000, 0.0016227500000000, 0.0014719800000000 ] - [ 0.0004557500000000, -0.0038128200000000, 0.0033875700000000 ] - [ 0.0252656500000000, 0.0121107900000000, 0.0076860600000000 ] - [ -0.0000706800000000, 0.0020622600000000, -0.0007906500000000 ] - [ 0.0037284100000000, 0.0004429900000000, -0.0020194000000000 ] - [ 0.0005614800000000, 0.0022178900000000, 0.0005020500000000 ] - [ 0.0000724600000000, -0.0002345400000000, 0.0000435700000000 ] - [ 0.0002055800000000, -0.0001107500000000, 0.0002314700000000 ] - [ -0.0104086400000000, -0.0003646100000000, -0.0018609500000000 ] - [ -0.0019281900000000, -0.0009025300000000, -0.0001186000000000 ] - [ -0.0117547800000000, 0.0022061400000000, 0.0001047500000000 ] - [ -0.0016457600000000, -0.0002560900000000, -0.0005268000000000 ] - [ -0.0008302500000000, 0.0003624700000000, -0.0001649800000000 ] - [ -0.0004699500000000, 0.0002132500000000, -0.0000540000000000 ] - [ -0.0003919400000000, 0.0006251800000000, -0.0004900300000000 ] - [ 0.0014476700000000, -0.0030654000000000, -0.0025964400000000 ] - [ -0.0001044700000000, -0.0001120800000000, -0.0003142500000000 ] - [ -0.0000332900000000, 0.0001909400000000, 0.0001422200000000 ] - [ -0.0030791400000000, -0.0007364300000000, -0.0011806000000000 ] - [ -0.0100781000000000, 0.0029857200000000, -0.0004517100000000 ] - [ -0.0011974500000000, -0.0000268900000000, -0.0002481000000000 ] - [ -0.0005412000000000, -0.0001920500000000, 0.0000964900000000 ]- atom: 23 displacement: [ -0.0099999999959232, 0.0000000000000000, -0.0000002855446085 ] forces: - [ 0.0001609800000000, -0.0007169500000000, -0.0029801400000000 ] - [ 0.0003597800000000, 0.0005101300000000, 0.0002126000000000 ] - [ 0.0002031600000000, -0.0287705000000000, 0.0081124900000000 ] - [ -0.0099140700000000, 0.0240225500000000, 0.0056129600000000 ] - [ -0.0021885600000000, -0.0008708300000000, 0.0118325500000000 ] - [ 0.0001121300000000, 0.0001657800000000, 0.0006428800000000 ] - [ 0.0001317500000000, -0.0000255200000000, 0.0008309100000000 ] - [ 0.0000099300000000, -0.0002058600000000, 0.0003949400000000 ] - [ -0.0023666400000000, -0.0020021700000000, 0.0080742500000000 ] - [ -0.0002479900000000, 0.0002453000000000, 0.0009280900000000 ] - [ -0.0152039500000000, 0.0281455900000000, -0.0006545400000000 ] - [ -0.0008137200000000, -0.0253403400000000, 0.0051867300000000 ] - [ -0.0061156100000000, 0.0032068100000000, -0.0305340100000000 ] - [ 0.0001377000000000, 0.0002079900000000, -0.0008178900000000 ] - [ -0.0002033600000000, 0.0000599300000000, 0.0001327600000000 ] - [ -0.0001627600000000, -0.0001996200000000, 0.0001796000000000 ] - [ -0.0006349500000000, -0.0007214700000000, -0.0002380800000000 ] - [ 0.0000472800000000, 0.0001310200000000, 0.0006765100000000 ] - [ -0.0034200800000000, 0.0012508400000000, 0.0009295700000000 ] - [ -0.0034688200000000, 0.0007549500000000, 0.0001411200000000 ] - [ 0.0075130300000000, 0.0095380600000000, 0.0052853400000000 ] - [ 0.0051435200000000, 0.0021467200000000, -0.0046118300000000 ] - [ 0.2403756300000000, -0.0126104600000000, -0.0093609500000000 ] - [ 0.0026060500000000, 0.0004852200000000, -0.0014637400000000 ] - [ 0.0040514000000000, 0.0041788100000000, -0.0026933500000000 ] - [ 0.0040367900000000, 0.0051992300000000, 0.0028945900000000 ] - [ 0.0007710700000000, -0.0013283300000000, 0.0001274700000000 ] - [ -0.0001128000000000, 0.0004679700000000, 0.0008315100000000 ] - [ -0.0938231500000000, 0.0195831100000000, 0.0009231600000000 ] - [ -0.0028325900000000, -0.0016354900000000, -0.0009038300000000 ] - [ -0.0041438600000000, -0.0007810100000000, -0.0013318500000000 ] - [ -0.0045362100000000, 0.0005379900000000, -0.0012601500000000 ] - [ 0.0001058500000000, 0.0000573300000000, 0.0000912700000000 ] - [ 0.0002252800000000, -0.0001357900000000, -0.0002339900000000 ] - [ 0.0031993100000000, -0.0009683300000000, 0.0009186200000000 ] - [ 0.0004649400000000, -0.0003337300000000, -0.0003457500000000 ] - [ -0.0022721600000000, 0.0025436000000000, 0.0028804300000000 ] - [ 0.0007768000000000, -0.0004628800000000, 0.0009083200000000 ] - [ -0.0575617500000000, -0.0225464100000000, 0.0057583900000000 ] - [ -0.0003138200000000, -0.0019207300000000, 0.0008835900000000 ] - [ 0.0000933800000000, 0.0000998500000000, 0.0002877800000000 ] - [ -0.0001827500000000, -0.0001528500000000, -0.0001319500000000 ] - [ 0.0096055700000000, -0.0028385600000000, -0.0027556500000000 ] - [ 0.0019412400000000, 0.0008292600000000, -0.0013219700000000 ] - [ 0.0003450000000000, 0.0000333200000000, -0.0001492500000000 ] - [ 0.0006696200000000, 0.0000789200000000, -0.0004238700000000 ] - [ -0.0033386200000000, 0.0008247000000000, 0.0012405100000000 ] - [ -0.0007909200000000, -0.0028794400000000, -0.0006792500000000 ] - [ -0.0046436700000000, -0.0019930600000000, 0.0024500800000000 ] - [ -0.0147865700000000, 0.0041300800000000, -0.0010866500000000 ] - [ -0.0012126000000000, 0.0021904900000000, -0.0037479500000000 ] - [ 0.0008589800000000, -0.0010229400000000, -0.0011592800000000 ] - [ -0.0003148500000000, 0.0003796500000000, -0.0010286700000000 ] - [ -0.0001583200000000, -0.0002997000000000, -0.0005104300000000 ] - [ -0.0008764400000000, -0.0001828700000000, -0.0023741300000000 ] - [ -0.0004692400000000, -0.0009708100000000, 0.0005177600000000 ] - [ -0.0189602200000000, 0.0033624900000000, -0.0044765800000000 ] - [ -0.0023279400000000, -0.0008629700000000, 0.0010820700000000 ] - [ -0.0255593800000000, 0.0172869700000000, 0.0249017200000000 ] - [ -0.0021748200000000, 0.0002676900000000, -0.0005708300000000 ] - [ -0.0007526400000000, -0.0009519200000000, 0.0005054500000000 ] - [ -0.0003165400000000, 0.0005426900000000, -0.0017399100000000 ] - [ -0.0113665900000000, -0.0064275200000000, -0.0106091900000000 ] - [ -0.0026029700000000, -0.0003227500000000, -0.0012564400000000 ] - [ -0.0004954100000000, 0.0006366300000000, -0.0009454900000000 ] - [ 0.0000221700000000, -0.0001963400000000, -0.0004876000000000 ] - [ 0.0017725700000000, -0.0019180900000000, -0.0011093000000000 ] - [ -0.0000661400000000, 0.0034937100000000, -0.0029899200000000 ] - [ -0.0216132900000000, -0.0109392700000000, -0.0068643900000000 ] - [ 0.0001439400000000, -0.0020733700000000, 0.0006695000000000 ] - [ -0.0037407800000000, -0.0001310000000000, 0.0020441800000000 ] - [ -0.0005962800000000, -0.0019254000000000, -0.0004804000000000 ] - [ 0.0000938400000000, 0.0000252300000000, -0.0001161000000000 ] - [ -0.0000395900000000, -0.0001003300000000, -0.0003026300000000 ] - [ 0.0103604200000000, 0.0007020600000000, 0.0014132900000000 ] - [ 0.0018309300000000, 0.0011761500000000, -0.0003641600000000 ] - [ 0.0119093900000000, -0.0020021300000000, 0.0001505400000000 ] - [ 0.0018009800000000, 0.0004148300000000, 0.0008054800000000 ] - [ 0.0009781100000000, -0.0003452700000000, -0.0001970500000000 ] - [ 0.0006091000000000, -0.0002008500000000, -0.0003102800000000 ] - [ 0.0009010300000000, -0.0005770500000000, 0.0001121600000000 ] - [ -0.0009344400000000, 0.0030864800000000, 0.0022062300000000 ] - [ 0.0000619500000000, 0.0001364100000000, 0.0002040000000000 ] - [ -0.0000104500000000, -0.0001660600000000, -0.0002504500000000 ] - [ 0.0030044600000000, 0.0010169000000000, 0.0013073000000000 ] - [ 0.0100071400000000, -0.0027760500000000, 0.0005844000000000 ] - [ 0.0009407200000000, -0.0002457600000000, 0.0001721300000000 ] - [ 0.0002853700000000, -0.0000746500000000, -0.0001753900000000 ]- atom: 23 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0006377000000000, -0.0076212300000000, 0.0018976500000000 ] - [ 0.0005939000000000, 0.0063756800000000, -0.0010276500000000 ] - [ 0.0217170600000000, 0.0236843900000000, -0.0050286300000000 ] - [ -0.0315125900000000, 0.0254999800000000, 0.0173423100000000 ] - [ -0.0030963200000000, -0.0129634000000000, 0.0009476000000000 ] - [ 0.0005922800000000, 0.0066380500000000, 0.0002063300000000 ] - [ 0.0002913500000000, 0.0000142500000000, 0.0011400400000000 ] - [ -0.0002198200000000, -0.0005273200000000, -0.0013257800000000 ] - [ -0.0017964100000000, -0.0132269500000000, 0.0056856900000000 ] - [ -0.0001626100000000, 0.0070453100000000, 0.0005593200000000 ] - [ -0.0333578900000000, 0.0333149800000000, 0.0033945700000000 ] - [ 0.0269203000000000, 0.0269043800000000, 0.0028392200000000 ] - [ -0.0054262200000000, -0.0232884000000000, 0.0001518900000000 ] - [ 0.0004668000000000, 0.0073963900000000, -0.0000645100000000 ] - [ -0.0001149100000000, 0.0005446400000000, 0.0011272800000000 ] - [ -0.0000842700000000, -0.0007184600000000, -0.0011497100000000 ] - [ -0.0004251100000000, -0.0030986800000000, 0.0000922700000000 ] - [ 0.0002277900000000, 0.0030968500000000, -0.0000489900000000 ] - [ -0.0007782600000000, 0.0007420000000000, -0.0034409800000000 ] - [ -0.0016627300000000, 0.0003391900000000, 0.0036258700000000 ] - [ 0.0058841200000000, 0.0230155800000000, 0.0194508800000000 ] - [ 0.0034745300000000, 0.0169527600000000, -0.0358896400000000 ] - [ 0.0132566700000000, -0.2802528700000000, -0.0060144200000000 ] - [ -0.0003346800000000, 0.0216294400000000, -0.0002612300000000 ] - [ 0.0050767700000000, 0.0133574700000000, -0.0204823900000000 ] - [ 0.0040362500000000, 0.0133412300000000, 0.0137156500000000 ] - [ 0.0009774100000000, -0.0053246300000000, -0.0001506000000000 ] - [ -0.0005658500000000, 0.0047510000000000, 0.0002966100000000 ] - [ 0.0196538500000000, -0.0238773500000000, -0.0019655200000000 ] - [ -0.0016414700000000, 0.0116604800000000, -0.0001586500000000 ] - [ -0.0001809800000000, 0.0018738900000000, 0.0039887200000000 ] - [ -0.0009327000000000, 0.0010391500000000, -0.0045716300000000 ] - [ -0.0000193800000000, 0.0009520600000000, -0.0007218300000000 ] - [ 0.0003608100000000, -0.0011142300000000, 0.0007931800000000 ] - [ 0.0007543300000000, 0.0025635400000000, 0.0012182900000000 ] - [ 0.0003133300000000, -0.0022689500000000, -0.0012964300000000 ] - [ -0.0047516100000000, -0.0008668500000000, -0.0040350400000000 ] - [ 0.0047963900000000, -0.0047092600000000, 0.0051801500000000 ] - [ 0.0130568000000000, 0.0257968600000000, -0.0015323600000000 ] - [ 0.0001261700000000, -0.0080409900000000, 0.0011197900000000 ] - [ 0.0004716100000000, 0.0012324800000000, 0.0006028000000000 ] - [ -0.0004039900000000, -0.0013508500000000, 0.0000609700000000 ] - [ 0.0014841400000000, 0.0050547200000000, -0.0007937400000000 ] - [ -0.0008784800000000, -0.0035175200000000, 0.0001723300000000 ] - [ 0.0001457900000000, -0.0019789000000000, 0.0017749600000000 ] - [ 0.0003450300000000, 0.0017909800000000, -0.0013159800000000 ] - [ -0.0009358900000000, 0.0102774400000000, 0.0066157800000000 ] - [ -0.0010595300000000, -0.0097462000000000, -0.0031574900000000 ] - [ -0.0011506300000000, -0.0146775300000000, 0.0002480300000000 ] - [ -0.0095906600000000, 0.0785978900000000, -0.0234569300000000 ] - [ -0.0049452700000000, 0.0002684200000000, 0.0053402600000000 ] - [ 0.0019279400000000, -0.0045132700000000, -0.0054137500000000 ] - [ -0.0005230800000000, 0.0015778200000000, -0.0011040600000000 ] - [ -0.0001807800000000, -0.0018248200000000, -0.0000126200000000 ] - [ -0.0003459000000000, 0.0018531000000000, -0.0062182300000000 ] - [ -0.0010887200000000, -0.0062894700000000, 0.0069624100000000 ] - [ 0.0014133900000000, 0.0230576500000000, -0.0003309000000000 ] - [ -0.0013568200000000, -0.0104948900000000, -0.0018708900000000 ] - [ -0.0214744000000000, 0.0486121900000000, 0.0421882900000000 ] - [ -0.0002733800000000, -0.0108846700000000, -0.0008343200000000 ] - [ -0.0019406400000000, -0.0056272500000000, 0.0047810400000000 ] - [ 0.0005529100000000, 0.0031148100000000, -0.0048540600000000 ] - [ 0.0026118100000000, 0.0032381300000000, -0.0221511600000000 ] - [ -0.0008560300000000, -0.0079368200000000, 0.0013754700000000 ] - [ -0.0009377300000000, 0.0021430100000000, -0.0005895500000000 ] - [ 0.0001637500000000, -0.0013632700000000, -0.0004446800000000 ] - [ 0.0030983000000000, -0.0059657000000000, -0.0044326400000000 ] - [ -0.0066790100000000, 0.0005090000000000, 0.0073093200000000 ] - [ 0.0005747200000000, 0.0235419100000000, -0.0011165200000000 ] - [ 0.0001940900000000, -0.0082925800000000, 0.0011505600000000 ] - [ -0.0005038300000000, 0.0065082300000000, 0.0059578300000000 ] - [ -0.0005717900000000, -0.0061663400000000, -0.0019876800000000 ] - [ 0.0000682300000000, 0.0011981400000000, -0.0004527000000000 ] - [ -0.0000736800000000, -0.0015508000000000, 0.0004083300000000 ] - [ 0.0041931900000000, 0.0052352000000000, 0.0012568300000000 ] - [ -0.0015621600000000, -0.0044513500000000, -0.0006822000000000 ] - [ 0.0023987000000000, 0.0055488900000000, 0.0008016000000000 ] - [ -0.0002855300000000, -0.0051848400000000, -0.0017103300000000 ] - [ 0.0000746200000000, 0.0016845000000000, -0.0023410500000000 ] - [ 0.0006878100000000, -0.0023620300000000, 0.0020549500000000 ] - [ 0.0036090900000000, -0.0044315600000000, 0.0024394600000000 ] - [ -0.0036240500000000, 0.0021494300000000, -0.0022841700000000 ] - [ 0.0001659500000000, 0.0012115300000000, 0.0001271100000000 ] - [ 0.0000182000000000, -0.0011941300000000, -0.0001135400000000 ] - [ -0.0002307700000000, -0.0057896900000000, -0.0004946400000000 ] - [ 0.0021330700000000, 0.0066200700000000, 0.0008826700000000 ] - [ -0.0001583800000000, 0.0029425900000000, 0.0020118200000000 ] - [ 0.0004233500000000, -0.0030036000000000, -0.0019662800000000 ]- atom: 23 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0006043900000000, 0.0074343200000000, -0.0017648500000000 ] - [ -0.0006295200000000, -0.0065089900000000, 0.0011290600000000 ] - [ -0.0217806700000000, -0.0233605600000000, 0.0053913700000000 ] - [ 0.0313193200000000, -0.0248079300000000, -0.0169072700000000 ] - [ 0.0032042300000000, 0.0128878500000000, -0.0011063500000000 ] - [ -0.0004763700000000, -0.0066361400000000, -0.0003087400000000 ] - [ -0.0003675500000000, -0.0004419800000000, -0.0014154100000000 ] - [ 0.0001424200000000, 0.0000856400000000, 0.0010356800000000 ] - [ 0.0018503500000000, 0.0127093000000000, -0.0053399100000000 ] - [ 0.0002443200000000, -0.0074525500000000, -0.0002916400000000 ] - [ 0.0336155400000000, -0.0335739900000000, -0.0032835600000000 ] - [ -0.0266383200000000, -0.0266250300000000, -0.0027028600000000 ] - [ 0.0051631000000000, 0.0236936800000000, -0.0005631500000000 ] - [ -0.0006495600000000, -0.0069071500000000, -0.0001816700000000 ] - [ 0.0001488100000000, -0.0006947900000000, -0.0012379600000000 ] - [ 0.0001168900000000, 0.0005522000000000, 0.0010298900000000 ] - [ 0.0007381700000000, 0.0030399700000000, -0.0001173200000000 ] - [ 0.0000878300000000, -0.0031270700000000, 0.0000310000000000 ] - [ 0.0005951500000000, -0.0008564300000000, 0.0033347000000000 ] - [ 0.0014883700000000, -0.0005120200000000, -0.0037046700000000 ] - [ -0.0056629900000000, -0.0232095800000000, -0.0193145600000000 ] - [ -0.0032904800000000, -0.0172034500000000, 0.0357982200000000 ] - [ -0.0136889100000000, 0.2777868600000000, 0.0085815500000000 ] - [ 0.0004492600000000, -0.0213988700000000, -0.0001315900000000 ] - [ -0.0051420200000000, -0.0131159500000000, 0.0208548800000000 ] - [ -0.0041286700000000, -0.0131319800000000, -0.0132061600000000 ] - [ -0.0011454800000000, 0.0049477500000000, -0.0000109500000000 ] - [ 0.0003942600000000, -0.0050881500000000, -0.0004566200000000 ] - [ -0.0193410700000000, 0.0236384700000000, 0.0020391200000000 ] - [ 0.0018005600000000, -0.0117572900000000, 0.0002483600000000 ] - [ -0.0001427600000000, -0.0018704200000000, -0.0039493900000000 ] - [ 0.0006234200000000, -0.0011001600000000, 0.0045786700000000 ] - [ 0.0002753400000000, -0.0012261300000000, 0.0008033200000000 ] - [ -0.0001015200000000, 0.0008352900000000, -0.0007041800000000 ] - [ -0.0006548900000000, -0.0022932900000000, -0.0013208300000000 ] - [ -0.0002272100000000, 0.0025368700000000, 0.0011723700000000 ] - [ 0.0047930100000000, 0.0008759100000000, 0.0041385100000000 ] - [ -0.0047382300000000, 0.0047180800000000, -0.0050525700000000 ] - [ -0.0138148000000000, -0.0255885200000000, 0.0018397900000000 ] - [ -0.0006139800000000, 0.0080388100000000, -0.0007438600000000 ] - [ -0.0006114600000000, -0.0012045500000000, -0.0002267200000000 ] - [ 0.0002598300000000, 0.0013646700000000, 0.0003123500000000 ] - [ -0.0016349000000000, -0.0048365700000000, 0.0005435800000000 ] - [ 0.0007213100000000, 0.0036569400000000, -0.0004531200000000 ] - [ -0.0000517000000000, 0.0022487400000000, -0.0012739700000000 ] - [ -0.0002535400000000, -0.0014954800000000, 0.0018057500000000 ] - [ 0.0007678500000000, -0.0104320500000000, -0.0064980600000000 ] - [ 0.0008932200000000, 0.0094771600000000, 0.0032188600000000 ] - [ 0.0011718500000000, 0.0150145800000000, -0.0002329900000000 ] - [ 0.0088128100000000, -0.0731229700000000, 0.0213645700000000 ] - [ 0.0048767400000000, -0.0002887100000000, -0.0052097400000000 ] - [ -0.0019834800000000, 0.0044947800000000, 0.0054960100000000 ] - [ 0.0001715900000000, -0.0018600400000000, 0.0007441400000000 ] - [ -0.0001699300000000, 0.0015293900000000, -0.0003472700000000 ] - [ 0.0004830500000000, -0.0017764400000000, 0.0060609400000000 ] - [ 0.0012329200000000, 0.0063571500000000, -0.0070463100000000 ] - [ -0.0010158900000000, -0.0249614500000000, 0.0020473300000000 ] - [ 0.0011681300000000, 0.0104161900000000, 0.0019037900000000 ] - [ 0.0226753000000000, -0.0497383500000000, -0.0451180500000000 ] - [ 0.0004456100000000, 0.0110025000000000, 0.0003525100000000 ] - [ 0.0017488000000000, 0.0057515400000000, -0.0042522000000000 ] - [ -0.0007242300000000, -0.0029327600000000, 0.0053320300000000 ] - [ -0.0024553100000000, -0.0030373000000000, 0.0220296200000000 ] - [ 0.0010220800000000, 0.0078816600000000, -0.0014747800000000 ] - [ 0.0007827200000000, -0.0020447100000000, 0.0006944100000000 ] - [ -0.0003118900000000, 0.0014406500000000, 0.0005652200000000 ] - [ -0.0027500400000000, 0.0056514000000000, 0.0048035500000000 ] - [ 0.0069668800000000, -0.0007873200000000, -0.0068936200000000 ] - [ -0.0006449500000000, -0.0235195300000000, 0.0009153700000000 ] - [ -0.0001423900000000, 0.0082644000000000, -0.0012833900000000 ] - [ 0.0004542700000000, -0.0061923700000000, -0.0059146500000000 ] - [ 0.0005344900000000, 0.0064538800000000, 0.0019972300000000 ] - [ 0.0000966900000000, -0.0014086800000000, 0.0003852100000000 ] - [ 0.0002359200000000, 0.0013335500000000, -0.0004732600000000 ] - [ -0.0042981100000000, -0.0049911900000000, -0.0017794300000000 ] - [ 0.0014610100000000, 0.0047249300000000, 0.0001887700000000 ] - [ -0.0022481600000000, -0.0054242300000000, -0.0005099400000000 ] - [ 0.0004375300000000, 0.0053320900000000, 0.0019646200000000 ] - [ 0.0000753500000000, -0.0016663100000000, 0.0019623900000000 ] - [ -0.0005453200000000, 0.0023788700000000, -0.0024142400000000 ] - [ -0.0030826400000000, 0.0044324600000000, -0.0027987800000000 ] - [ 0.0041081400000000, -0.0020867100000000, 0.0019068800000000 ] - [ -0.0002099700000000, -0.0011805900000000, -0.0002277200000000 ] - [ -0.0000628200000000, 0.0012130700000000, 0.0000094100000000 ] - [ 0.0001486900000000, 0.0060282700000000, 0.0006168100000000 ] - [ -0.0021973100000000, -0.0062663300000000, -0.0007730700000000 ] - [ -0.0000977600000000, -0.0031969900000000, -0.0020859700000000 ] - [ -0.0006807300000000, 0.0027101900000000, 0.0018755400000000 ]- atom: 23 displacement: [ -0.0014701282124378, 0.0000000000000000, 0.0098913458659069 ] forces: - [ 0.0062626000000000, 0.0009405000000000, 0.0089608200000000 ] - [ 0.0018458500000000, -0.0000568200000000, 0.0034612400000000 ] - [ -0.0061223500000000, -0.0114861400000000, -0.0112101900000000 ] - [ -0.0027918400000000, 0.0116884600000000, -0.0180693700000000 ] - [ -0.0125030300000000, -0.0032511100000000, 0.0147021500000000 ] - [ -0.0011581400000000, 0.0001479600000000, 0.0007267200000000 ] - [ -0.0007687000000000, 0.0005617000000000, 0.0066648300000000 ] - [ -0.0006943100000000, -0.0000045600000000, 0.0068164200000000 ] - [ -0.0115429200000000, -0.0029571700000000, 0.0164583000000000 ] - [ -0.0017704300000000, 0.0002902400000000, 0.0022177400000000 ] - [ -0.0034494500000000, 0.0070501000000000, -0.0256240400000000 ] - [ -0.0049542300000000, -0.0034218700000000, -0.0123243600000000 ] - [ 0.0262562700000000, 0.0020125400000000, 0.0204294300000000 ] - [ 0.0012852600000000, -0.0002665100000000, -0.0025822200000000 ] - [ 0.0006856100000000, 0.0005388200000000, 0.0043117900000000 ] - [ 0.0004131000000000, -0.0002883100000000, 0.0045223000000000 ] - [ -0.0004248000000000, -0.0001563600000000, 0.0086582800000000 ] - [ -0.0001646800000000, -0.0004694600000000, 0.0058330400000000 ] - [ -0.0003637700000000, -0.0034466100000000, 0.0008456700000000 ] - [ 0.0005872500000000, 0.0033216900000000, 0.0003874900000000 ] - [ 0.0066903000000000, 0.0297114800000000, 0.0141690800000000 ] - [ -0.0000557600000000, -0.0188802000000000, 0.0087964100000000 ] - [ 0.0425068300000000, -0.0070840200000000, -0.1881341500000000 ] - [ 0.0016663400000000, 0.0000635900000000, -0.0096304600000000 ] - [ -0.0021280200000000, -0.0126940800000000, 0.0125134000000000 ] - [ 0.0034133800000000, 0.0213950100000000, 0.0133847400000000 ] - [ 0.0006505200000000, -0.0002000700000000, 0.0106784900000000 ] - [ 0.0002209800000000, -0.0004558000000000, 0.0064199900000000 ] - [ -0.0134986200000000, 0.0015320200000000, -0.0132089800000000 ] - [ -0.0012265200000000, -0.0007926400000000, -0.0051862800000000 ] - [ 0.0008595100000000, 0.0025998800000000, -0.0027210500000000 ] - [ -0.0016659800000000, -0.0020693500000000, -0.0028901100000000 ] - [ 0.0000178900000000, 0.0003555600000000, -0.0041921200000000 ] - [ 0.0001716600000000, 0.0003972400000000, -0.0028332500000000 ] - [ -0.0008777900000000, 0.0014674600000000, -0.0038749600000000 ] - [ 0.0002544100000000, -0.0015970800000000, -0.0018086500000000 ] - [ -0.0065746500000000, -0.0029336300000000, -0.0011603200000000 ] - [ -0.0028836100000000, 0.0024976900000000, -0.0004051800000000 ] - [ -0.0207807500000000, -0.0071887800000000, 0.0161197500000000 ] - [ -0.0009667500000000, -0.0014102500000000, 0.0023086700000000 ] - [ -0.0007617900000000, -0.0003009600000000, -0.0048403400000000 ] - [ -0.0002283600000000, -0.0003583500000000, -0.0029340900000000 ] - [ 0.0037515400000000, -0.0015100000000000, 0.0021978400000000 ] - [ 0.0007234000000000, 0.0019801200000000, 0.0019623900000000 ] - [ 0.0001554500000000, 0.0016161000000000, -0.0026603000000000 ] - [ 0.0010716200000000, 0.0001293400000000, -0.0029588800000000 ] - [ -0.0007853200000000, 0.0063790100000000, -0.0090748000000000 ] - [ -0.0009684700000000, -0.0077193600000000, -0.0020727200000000 ] - [ -0.0031513500000000, -0.0054435400000000, 0.0087660200000000 ] - [ -0.0014483600000000, -0.0174715800000000, 0.0238030100000000 ] - [ 0.0035341500000000, 0.0034956700000000, -0.0012688200000000 ] - [ 0.0039003800000000, -0.0045855500000000, 0.0011615800000000 ] - [ 0.0002836700000000, 0.0010007500000000, -0.0047385300000000 ] - [ 0.0002132600000000, 0.0004225600000000, -0.0024763000000000 ] - [ -0.0006290900000000, -0.0020477600000000, -0.0080004400000000 ] - [ 0.0003548100000000, 0.0018091500000000, -0.0049112300000000 ] - [ -0.0002656500000000, -0.0155624100000000, 0.0390364700000000 ] - [ -0.0009649600000000, -0.0035078800000000, 0.0061861800000000 ] - [ -0.0314517700000000, 0.0431898900000000, 0.0821312800000000 ] - [ 0.0007926300000000, 0.0051899300000000, 0.0037633100000000 ] - [ 0.0011495800000000, 0.0027241100000000, -0.0043499200000000 ] - [ 0.0007514200000000, 0.0012794900000000, -0.0071528200000000 ] - [ 0.0036613600000000, -0.0189647200000000, -0.0075911400000000 ] - [ 0.0006771700000000, 0.0046543300000000, 0.0021240900000000 ] - [ 0.0003249800000000, -0.0000796700000000, -0.0075920900000000 ] - [ 0.0001899800000000, -0.0005689700000000, -0.0036329700000000 ] - [ 0.0044181900000000, -0.0047292500000000, 0.0014799000000000 ] - [ 0.0050748100000000, 0.0051510500000000, -0.0002167000000000 ] - [ 0.0127343600000000, 0.0020434100000000, 0.0205556000000000 ] - [ -0.0001009600000000, -0.0018962700000000, 0.0028042200000000 ] - [ -0.0001440100000000, 0.0016240800000000, -0.0079770600000000 ] - [ -0.0007785300000000, -0.0059756800000000, -0.0021654600000000 ] - [ -0.0000857900000000, 0.0016447600000000, -0.0029731400000000 ] - [ -0.0001824000000000, 0.0009609900000000, -0.0022839900000000 ] - [ 0.0069455300000000, 0.0026914000000000, 0.0068463100000000 ] - [ 0.0007997100000000, 0.0021426900000000, 0.0027942600000000 ] - [ -0.0016405800000000, 0.0012625200000000, 0.0038046000000000 ] - [ 0.0004827600000000, -0.0005247700000000, 0.0037101200000000 ] - [ 0.0005913600000000, -0.0016585800000000, -0.0017839200000000 ] - [ 0.0002111200000000, -0.0000286400000000, -0.0016561600000000 ] - [ -0.0019760500000000, 0.0027359200000000, -0.0009607700000000 ] - [ -0.0049757400000000, -0.0037858400000000, -0.0017888500000000 ] - [ -0.0005387700000000, -0.0005973600000000, -0.0028595700000000 ] - [ -0.0003915200000000, -0.0004773500000000, -0.0020208500000000 ] - [ 0.0012732400000000, -0.0000721700000000, 0.0046646200000000 ] - [ 0.0007625900000000, -0.0022722500000000, 0.0050300400000000 ] - [ 0.0003313600000000, 0.0012563800000000, -0.0016324600000000 ] - [ -0.0001116100000000, -0.0007058700000000, -0.0017785900000000 ]- atom: 23 displacement: [ 0.0014701282124378, 0.0000000000000000, -0.0098913458659069 ] forces: - [ -0.0063525700000000, -0.0011280000000000, -0.0088702000000000 ] - [ -0.0018748300000000, -0.0001105000000000, -0.0033243100000000 ] - [ 0.0062915700000000, 0.0120057900000000, 0.0113795000000000 ] - [ 0.0030774400000000, -0.0112966800000000, 0.0180700900000000 ] - [ 0.0124485000000000, 0.0031956400000000, -0.0146778200000000 ] - [ 0.0012663400000000, -0.0001738900000000, -0.0008610800000000 ] - [ 0.0006866200000000, -0.0010087900000000, -0.0069341300000000 ] - [ 0.0006150900000000, -0.0004017500000000, -0.0070871100000000 ] - [ 0.0117177500000000, 0.0024830200000000, -0.0162483200000000 ] - [ 0.0018408800000000, -0.0007296700000000, -0.0019128700000000 ] - [ 0.0032878500000000, -0.0069726200000000, 0.0257175100000000 ] - [ 0.0047191400000000, 0.0032487100000000, 0.0124235800000000 ] - [ -0.0260796700000000, -0.0015465800000000, -0.0205445200000000 ] - [ -0.0014694300000000, 0.0007198300000000, 0.0022821700000000 ] - [ -0.0006478800000000, -0.0007094300000000, -0.0044100500000000 ] - [ -0.0003758600000000, 0.0001467800000000, -0.0046163400000000 ] - [ 0.0007356000000000, 0.0001131200000000, -0.0086686300000000 ] - [ 0.0004795000000000, 0.0004255800000000, -0.0058434600000000 ] - [ 0.0001882200000000, 0.0032816700000000, -0.0009799700000000 ] - [ -0.0007426300000000, -0.0034443900000000, -0.0005209300000000 ] - [ -0.0064807200000000, -0.0301077700000000, -0.0139923100000000 ] - [ 0.0001664700000000, 0.0186303500000000, -0.0083479300000000 ] - [ -0.0446196300000000, 0.0113832400000000, 0.1906205200000000 ] - [ -0.0015480600000000, 0.0000735800000000, 0.0091793500000000 ] - [ 0.0019980100000000, 0.0127342900000000, -0.0120667200000000 ] - [ -0.0034915900000000, -0.0209985000000000, -0.0128357900000000 ] - [ -0.0008135800000000, -0.0001644400000000, -0.0108017200000000 ] - [ -0.0003885700000000, 0.0000924400000000, -0.0065631000000000 ] - [ 0.0137043300000000, -0.0016516000000000, 0.0132650900000000 ] - [ 0.0013939600000000, 0.0006326200000000, 0.0052650600000000 ] - [ -0.0012051300000000, -0.0026434300000000, 0.0027817500000000 ] - [ 0.0013957800000000, 0.0020345600000000, 0.0029740300000000 ] - [ 0.0002424200000000, -0.0006226800000000, 0.0042729900000000 ] - [ 0.0000857800000000, -0.0006799800000000, 0.0029069600000000 ] - [ 0.0009609200000000, -0.0011734800000000, 0.0037564800000000 ] - [ -0.0001652000000000, 0.0018609900000000, 0.0016992600000000 ] - [ 0.0066410200000000, 0.0029964100000000, 0.0012628900000000 ] - [ 0.0029038800000000, -0.0024633700000000, 0.0004625500000000 ] - [ 0.0203820100000000, 0.0071351000000000, -0.0160492800000000 ] - [ 0.0004589900000000, 0.0014610400000000, -0.0019314600000000 ] - [ 0.0006289600000000, 0.0003174400000000, 0.0052203700000000 ] - [ 0.0000867600000000, 0.0003861800000000, 0.0032951700000000 ] - [ -0.0038893800000000, 0.0016764600000000, -0.0024070400000000 ] - [ -0.0008835700000000, -0.0018134700000000, -0.0022081600000000 ] - [ -0.0000600900000000, -0.0013313000000000, 0.0031584600000000 ] - [ -0.0009697100000000, 0.0001376900000000, 0.0034592100000000 ] - [ 0.0006319800000000, -0.0067514700000000, 0.0092551900000000 ] - [ 0.0008032700000000, 0.0074930300000000, 0.0021311400000000 ] - [ 0.0031887400000000, 0.0057587200000000, -0.0087887100000000 ] - [ 0.0014122200000000, 0.0184776800000000, -0.0241494700000000 ] - [ -0.0035754600000000, -0.0034831700000000, 0.0014175800000000 ] - [ -0.0039371100000000, 0.0045493100000000, -0.0010049600000000 ] - [ -0.0006306600000000, -0.0012818500000000, 0.0043607300000000 ] - [ -0.0005595100000000, -0.0007109800000000, 0.0021155100000000 ] - [ 0.0007756500000000, 0.0021598800000000, 0.0078574800000000 ] - [ -0.0001968700000000, -0.0017015100000000, 0.0047392300000000 ] - [ 0.0004872200000000, 0.0143051700000000, -0.0381881500000000 ] - [ 0.0007881200000000, 0.0034670200000000, -0.0060519000000000 ] - [ 0.0334758100000000, -0.0465083000000000, -0.0862721600000000 ] - [ -0.0006070600000000, -0.0049657400000000, -0.0042863400000000 ] - [ -0.0013148500000000, -0.0025373700000000, 0.0048309400000000 ] - [ -0.0009198000000000, -0.0011243900000000, 0.0076172200000000 ] - [ -0.0035959900000000, 0.0191032900000000, 0.0080841200000000 ] - [ -0.0005040900000000, -0.0046636600000000, -0.0021647900000000 ] - [ -0.0004820900000000, 0.0001581400000000, 0.0077010500000000 ] - [ -0.0003394400000000, 0.0006586900000000, 0.0037334100000000 ] - [ -0.0040520600000000, 0.0044260500000000, -0.0011346800000000 ] - [ -0.0047403800000000, -0.0055125400000000, 0.0005526900000000 ] - [ -0.0128124900000000, -0.0021885800000000, -0.0209144500000000 ] - [ 0.0001647700000000, 0.0018834300000000, -0.0029145000000000 ] - [ 0.0000988000000000, -0.0012952300000000, 0.0079467300000000 ] - [ 0.0007333300000000, 0.0062493000000000, 0.0021940700000000 ] - [ 0.0002465200000000, -0.0018434400000000, 0.0028931700000000 ] - [ 0.0003452300000000, -0.0011784300000000, 0.0022104200000000 ] - [ -0.0070799800000000, -0.0024306000000000, -0.0073947500000000 ] - [ -0.0008821900000000, -0.0018464100000000, -0.0033010000000000 ] - [ 0.0017888600000000, -0.0011348900000000, -0.0034744800000000 ] - [ -0.0003219100000000, 0.0006961200000000, -0.0034009100000000 ] - [ -0.0004461600000000, 0.0016906100000000, 0.0013961100000000 ] - [ -0.0000744500000000, 0.0000503000000000, 0.0012666500000000 ] - [ 0.0024713000000000, -0.0026836100000000, 0.0006071500000000 ] - [ 0.0054263500000000, 0.0037889000000000, 0.0014083100000000 ] - [ 0.0004892200000000, 0.0006173900000000, 0.0027488500000000 ] - [ 0.0003427500000000, 0.0005021100000000, 0.0019140600000000 ] - [ -0.0013623700000000, 0.0003441000000000, -0.0045559600000000 ] - [ -0.0008497200000000, 0.0025769000000000, -0.0049443100000000 ] - [ -0.0005873300000000, -0.0015475800000000, 0.0015283400000000 ] - [ -0.0001438600000000, 0.0004333700000000, 0.0016816500000000 ]- atom: 33 displacement: [ 0.0099999999959232, 0.0000000000000000, 0.0000002855446085 ] forces: - [ 0.0147921700000000, 0.0011923600000000, -0.0007833800000000 ] - [ 0.0014991100000000, -0.0006380200000000, -0.0004002900000000 ] - [ 0.0004923900000000, 0.0003459100000000, 0.0005157900000000 ] - [ 0.0002286300000000, 0.0000849800000000, 0.0003261800000000 ] - [ 0.0004760000000000, -0.0012844900000000, 0.0028093200000000 ] - [ 0.0001015700000000, 0.0004517600000000, 0.0000419300000000 ] - [ -0.0023120900000000, 0.0059640100000000, -0.0011532700000000 ] - [ -0.0008896800000000, -0.0016232300000000, -0.0002107500000000 ] - [ -0.0039174300000000, -0.0000180100000000, 0.0000892900000000 ] - [ -0.0013949600000000, -0.0007671500000000, 0.0005359200000000 ] - [ -0.0006086800000000, 0.0000583300000000, 0.0002961100000000 ] - [ -0.0002302200000000, -0.0001066100000000, 0.0001501000000000 ] - [ -0.0003239100000000, 0.0002189600000000, -0.0006318400000000 ] - [ -0.0001499100000000, 0.0002167000000000, -0.0004354300000000 ] - [ 0.0113894800000000, 0.0040820600000000, -0.0011199400000000 ] - [ 0.0007539700000000, 0.0007465700000000, 0.0008589300000000 ] - [ 0.0183113800000000, 0.0041616300000000, -0.0034748300000000 ] - [ 0.0024166000000000, -0.0000188200000000, 0.0003463500000000 ] - [ 0.0011990800000000, -0.0003586900000000, 0.0001932500000000 ] - [ 0.0004320400000000, -0.0005526800000000, 0.0001771900000000 ] - [ 0.0008601800000000, 0.0033180500000000, -0.0046176200000000 ] - [ 0.0000101000000000, -0.0005575800000000, 0.0000736100000000 ] - [ 0.0000795000000000, -0.0000658000000000, -0.0003162100000000 ] - [ -0.0000417900000000, 0.0003231800000000, -0.0001780800000000 ] - [ -0.0011281400000000, 0.0001106400000000, 0.0005260900000000 ] - [ -0.0004706700000000, -0.0004605600000000, 0.0001635900000000 ] - [ -0.0108156400000000, -0.0003929000000000, -0.0021785900000000 ] - [ -0.0018607500000000, -0.0006636800000000, -0.0009323000000000 ] - [ 0.0004107200000000, 0.0004229600000000, 0.0008678200000000 ] - [ 0.0000923400000000, -0.0004299800000000, 0.0006338500000000 ] - [ 0.0008067600000000, -0.0011041100000000, 0.0063679100000000 ] - [ -0.0001254400000000, -0.0003831200000000, 0.0001418400000000 ] - [ -0.0679166300000000, -0.0193896600000000, 0.0139664800000000 ] - [ -0.0001356200000000, 0.0003041700000000, 0.0000448900000000 ] - [ -0.0017238600000000, -0.0005468100000000, 0.0002681900000000 ] - [ -0.0002675200000000, 0.0001243700000000, 0.0000045800000000 ] - [ -0.0031309600000000, -0.0005704400000000, 0.0004061500000000 ] - [ -0.0001378100000000, 0.0000947600000000, 0.0000234500000000 ] - [ -0.0005109800000000, 0.0000278700000000, 0.0000708100000000 ] - [ -0.0004305200000000, 0.0000798000000000, 0.0001083900000000 ] - [ -0.0044049600000000, 0.0045215800000000, 0.0006118700000000 ] - [ -0.0050728300000000, -0.0032530300000000, 0.0002792700000000 ] - [ -0.0005065200000000, 0.0002461800000000, -0.0005171300000000 ] - [ -0.0001580900000000, -0.0000434100000000, -0.0004797800000000 ] - [ -0.0010308700000000, -0.0007589800000000, -0.0007597500000000 ] - [ 0.0005756300000000, -0.0001171500000000, 0.0006093800000000 ] - [ -0.0005441800000000, -0.0000735100000000, 0.0005977100000000 ] - [ -0.0001361300000000, -0.0014171000000000, -0.0002103100000000 ] - [ 0.0000350300000000, -0.0001314100000000, 0.0006121100000000 ] - [ 0.0000294300000000, 0.0002826900000000, -0.0000605800000000 ] - [ -0.0001108700000000, -0.0003379200000000, -0.0004579600000000 ] - [ -0.0000502000000000, 0.0000437100000000, 0.0000558100000000 ] - [ 0.0132490800000000, 0.0085224400000000, -0.0121516200000000 ] - [ 0.0000658000000000, 0.0000018400000000, 0.0001327700000000 ] - [ 0.0078082200000000, -0.0008416800000000, 0.0113919300000000 ] - [ 0.0001751400000000, 0.0003726100000000, -0.0000836300000000 ] - [ 0.0000397800000000, -0.0000485300000000, -0.0000543900000000 ] - [ 0.0000008400000000, 0.0000634000000000, -0.0000208100000000 ] - [ 0.0002788200000000, 0.0003136000000000, 0.0004445400000000 ] - [ 0.0002025900000000, 0.0000553800000000, -0.0002828600000000 ] - [ 0.0010316300000000, -0.0007156300000000, -0.0008729900000000 ] - [ 0.0011136400000000, 0.0010678800000000, 0.0001204300000000 ] - [ 0.0003607200000000, 0.0002362900000000, -0.0002393200000000 ] - [ 0.0001074200000000, -0.0001490600000000, -0.0001886600000000 ] - [ 0.0010729700000000, 0.0001666700000000, 0.0002514100000000 ] - [ 0.0077513100000000, -0.0003536300000000, 0.0019462400000000 ] - [ 0.0020195400000000, -0.0002980500000000, 0.0000365800000000 ] - [ 0.0002702600000000, -0.0000614000000000, 0.0001904800000000 ] - [ 0.0002025300000000, -0.0000132700000000, -0.0001659900000000 ] - [ 0.0001926700000000, 0.0000203100000000, -0.0001132200000000 ] - [ 0.0013723700000000, 0.0000819600000000, -0.0001038700000000 ] - [ 0.0002762900000000, 0.0003192500000000, 0.0003736800000000 ] - [ 0.0118611000000000, -0.0016294300000000, 0.0016977800000000 ] - [ 0.0002717400000000, 0.0002367600000000, -0.0001854600000000 ] - [ 0.0001096800000000, -0.0006704400000000, -0.0018301500000000 ] - [ 0.0000349900000000, 0.0003003600000000, -0.0004710700000000 ] - [ 0.0000609700000000, 0.0001545400000000, -0.0001674600000000 ] - [ 0.0000689100000000, 0.0001541700000000, 0.0000616700000000 ] - [ 0.0064366400000000, -0.0005797600000000, -0.0119751900000000 ] - [ 0.0001002700000000, 0.0004477000000000, -0.0003270600000000 ] - [ 0.0003504500000000, -0.0000470900000000, 0.0000621200000000 ] - [ 0.0002068700000000, -0.0000752100000000, 0.0000069400000000 ] - [ 0.0013335800000000, -0.0046787100000000, 0.0028711500000000 ] - [ -0.0004226600000000, 0.0033284300000000, 0.0020965000000000 ] - [ -0.0001763100000000, 0.0004638600000000, -0.0013099900000000 ] - [ -0.0001091500000000, 0.0001013200000000, -0.0000933200000000 ] - [ -0.0010829700000000, -0.0000602800000000, -0.0004606500000000 ] - [ -0.0010899900000000, 0.0024550300000000, -0.0044425800000000 ]- atom: 33 displacement: [ -0.0099999999959232, 0.0000000000000000, -0.0000002855446085 ] forces: - [ -0.0147919000000000, -0.0014145700000000, 0.0009195800000000 ] - [ -0.0015463500000000, 0.0005041300000000, 0.0005191400000000 ] - [ -0.0002984200000000, 0.0001032000000000, -0.0002459300000000 ] - [ -0.0000334400000000, 0.0003708800000000, -0.0000596800000000 ] - [ -0.0003256100000000, 0.0012329700000000, -0.0029255600000000 ] - [ 0.0000252700000000, -0.0004647000000000, -0.0001505400000000 ] - [ 0.0029933800000000, -0.0068090500000000, 0.0007499800000000 ] - [ 0.0008569000000000, 0.0012203200000000, -0.0000698600000000 ] - [ 0.0040038200000000, -0.0004607300000000, 0.0001755600000000 ] - [ 0.0014832600000000, 0.0003623300000000, -0.0002820800000000 ] - [ 0.0004905700000000, -0.0000880900000000, -0.0001875400000000 ] - [ 0.0001112400000000, 0.0000838800000000, -0.0000350300000000 ] - [ 0.0001085600000000, 0.0002284400000000, 0.0003492100000000 ] - [ -0.0000506300000000, 0.0002445100000000, 0.0001719000000000 ] - [ -0.0121334600000000, -0.0050650600000000, 0.0011360600000000 ] - [ -0.0007584500000000, -0.0008770200000000, -0.0009723700000000 ] - [ -0.0180128400000000, -0.0043852200000000, 0.0035734300000000 ] - [ -0.0021288400000000, -0.0000040600000000, -0.0003645800000000 ] - [ -0.0013607000000000, 0.0001769800000000, -0.0002988900000000 ] - [ -0.0006205900000000, 0.0004595100000000, -0.0003268300000000 ] - [ -0.0006593500000000, -0.0036718200000000, 0.0047421100000000 ] - [ 0.0001651500000000, 0.0002342300000000, 0.0000994600000000 ] - [ 0.0000370300000000, 0.0002292300000000, -0.0000949000000000 ] - [ 0.0001540400000000, -0.0001391600000000, -0.0002353300000000 ] - [ 0.0010094600000000, 0.0000502700000000, -0.0000851200000000 ] - [ 0.0003553400000000, 0.0006435500000000, 0.0002536500000000 ] - [ 0.0106125600000000, -0.0000609500000000, 0.0020387000000000 ] - [ 0.0017040400000000, 0.0003696200000000, 0.0008108200000000 ] - [ -0.0002499000000000, -0.0005762100000000, -0.0007856200000000 ] - [ 0.0000729600000000, 0.0002984500000000, -0.0005497300000000 ] - [ -0.0011465200000000, 0.0010396900000000, -0.0063959100000000 ] - [ -0.0001965600000000, 0.0003627100000000, -0.0001179400000000 ] - [ 0.0682681600000000, 0.0206401600000000, -0.0141502800000000 ] - [ 0.0003975400000000, -0.0006023100000000, 0.0000387900000000 ] - [ 0.0018186400000000, 0.0008470000000000, -0.0003133500000000 ] - [ 0.0003589100000000, 0.0001261400000000, -0.0001267200000000 ] - [ 0.0031751700000000, 0.0006313500000000, -0.0003224900000000 ] - [ 0.0001854500000000, -0.0000790800000000, 0.0000802800000000 ] - [ 0.0000062600000000, 0.0000143500000000, 0.0002998000000000 ] - [ -0.0000740000000000, -0.0000440700000000, 0.0002646600000000 ] - [ 0.0042121300000000, -0.0045989100000000, -0.0002870400000000 ] - [ 0.0049031900000000, 0.0033273200000000, 0.0000939900000000 ] - [ 0.0003415200000000, -0.0000783500000000, 0.0002592400000000 ] - [ -0.0000030800000000, 0.0002072300000000, 0.0002122300000000 ] - [ 0.0011083700000000, 0.0010492700000000, 0.0012427300000000 ] - [ -0.0005490500000000, 0.0002399800000000, 0.0000245800000000 ] - [ 0.0003124500000000, -0.0001732700000000, -0.0005449300000000 ] - [ -0.0000363000000000, 0.0011976800000000, 0.0002797200000000 ] - [ -0.0000020100000000, 0.0004279500000000, -0.0006281500000000 ] - [ 0.0000044600000000, 0.0000173700000000, 0.0000319800000000 ] - [ 0.0000367000000000, 0.0003330400000000, 0.0005805400000000 ] - [ -0.0000286300000000, -0.0000660300000000, 0.0000742100000000 ] - [ -0.0135178400000000, -0.0086725200000000, 0.0116111200000000 ] - [ -0.0004277400000000, -0.0003065200000000, -0.0004955900000000 ] - [ -0.0076037200000000, 0.0009382200000000, -0.0113586000000000 ] - [ -0.0000319500000000, -0.0003039400000000, -0.0000329900000000 ] - [ -0.0002072900000000, 0.0000323200000000, 0.0001266900000000 ] - [ -0.0001687800000000, -0.0000895900000000, 0.0000952300000000 ] - [ -0.0001061500000000, -0.0001371300000000, -0.0009353600000000 ] - [ -0.0000293900000000, 0.0001015600000000, -0.0002173100000000 ] - [ -0.0012007600000000, 0.0008726400000000, 0.0013276000000000 ] - [ -0.0012980000000000, -0.0008870200000000, 0.0003684400000000 ] - [ -0.0001937500000000, -0.0002566700000000, 0.0001647400000000 ] - [ 0.0000580100000000, 0.0001242000000000, 0.0001088200000000 ] - [ -0.0012245700000000, -0.0000644200000000, -0.0001241300000000 ] - [ -0.0079058400000000, 0.0003567300000000, -0.0018104700000000 ] - [ -0.0016724700000000, 0.0000104900000000, 0.0003329200000000 ] - [ 0.0000756300000000, -0.0002263000000000, 0.0001650200000000 ] - [ -0.0001378300000000, 0.0000041700000000, 0.0000447000000000 ] - [ -0.0001278600000000, -0.0000347900000000, -0.0000098800000000 ] - [ -0.0014017900000000, 0.0002266100000000, 0.0001141900000000 ] - [ -0.0003137000000000, -0.0000343300000000, -0.0003642900000000 ] - [ -0.0117292100000000, 0.0014896500000000, -0.0017949000000000 ] - [ -0.0001100700000000, -0.0004798400000000, 0.0001258300000000 ] - [ -0.0001992100000000, 0.0009660800000000, 0.0013502200000000 ] - [ -0.0001249400000000, -0.0000247100000000, -0.0000216600000000 ] - [ 0.0000974400000000, 0.0000101500000000, 0.0004465600000000 ] - [ 0.0000904700000000, -0.0000048600000000, 0.0002217500000000 ] - [ -0.0063306300000000, 0.0006359900000000, 0.0117409500000000 ] - [ 0.0000469600000000, -0.0004437800000000, -0.0000408400000000 ] - [ 0.0001626300000000, 0.0000898300000000, -0.0004377800000000 ] - [ 0.0003141100000000, 0.0001141400000000, -0.0003756100000000 ] - [ -0.0013102600000000, 0.0047375500000000, -0.0029927800000000 ] - [ 0.0003981100000000, -0.0033431900000000, -0.0022378900000000 ] - [ 0.0000903100000000, -0.0001978300000000, 0.0014372800000000 ] - [ 0.0000226200000000, 0.0001687000000000, 0.0002087300000000 ] - [ 0.0008593400000000, -0.0002340600000000, 0.0003662300000000 ] - [ 0.0008522200000000, -0.0027526200000000, 0.0044271200000000 ]- atom: 33 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0008040600000000, 0.0235034900000000, 0.0060590800000000 ] - [ 0.0001622600000000, -0.0064634100000000, 0.0039261000000000 ] - [ 0.0001159000000000, 0.0008205700000000, 0.0006166900000000 ] - [ -0.0001131800000000, -0.0003281400000000, 0.0009158200000000 ] - [ -0.0018993800000000, 0.0016105500000000, 0.0028681800000000 ] - [ 0.0004452300000000, -0.0016976100000000, -0.0017355600000000 ] - [ 0.0100641600000000, 0.0103479800000000, -0.0024355900000000 ] - [ -0.0049953800000000, -0.0073359100000000, -0.0002225400000000 ] - [ -0.0007008300000000, 0.0034501000000000, -0.0001007500000000 ] - [ -0.0005006400000000, -0.0033622800000000, 0.0027831600000000 ] - [ -0.0000922800000000, 0.0005676900000000, 0.0008480300000000 ] - [ 0.0000452600000000, -0.0005390100000000, 0.0004968500000000 ] - [ 0.0010667600000000, 0.0012473900000000, 0.0023203300000000 ] - [ -0.0000979200000000, -0.0007526400000000, -0.0014272900000000 ] - [ -0.0013124600000000, 0.0107586100000000, 0.0007924300000000 ] - [ 0.0042904600000000, -0.0076542400000000, -0.0022762300000000 ] - [ 0.0007495200000000, 0.0609651000000000, -0.0334247500000000 ] - [ 0.0006490200000000, -0.0109470500000000, -0.0086826100000000 ] - [ -0.0008975300000000, 0.0059947300000000, -0.0032000900000000 ] - [ 0.0019242200000000, -0.0071185700000000, 0.0055632600000000 ] - [ -0.0001580200000000, 0.0011792300000000, 0.0034093500000000 ] - [ -0.0001644200000000, -0.0038059500000000, -0.0009140600000000 ] - [ -0.0001380000000000, 0.0011813300000000, 0.0002647000000000 ] - [ 0.0000541500000000, -0.0008913200000000, 0.0003411000000000 ] - [ -0.0001660500000000, 0.0031537300000000, -0.0012266700000000 ] - [ 0.0000027900000000, -0.0027669500000000, 0.0007946900000000 ] - [ 0.0026855500000000, 0.0084533500000000, -0.0026343100000000 ] - [ -0.0016277000000000, -0.0066375300000000, -0.0039201100000000 ] - [ 0.0004068900000000, 0.0012658100000000, 0.0013414600000000 ] - [ 0.0000233100000000, -0.0013912400000000, 0.0007728900000000 ] - [ 0.0000005400000000, 0.0026705900000000, 0.0049614800000000 ] - [ -0.0000189700000000, -0.0028497100000000, -0.0008535500000000 ] - [ -0.0198648700000000, -0.1441960100000000, 0.0429754000000000 ] - [ 0.0005773900000000, 0.0068675600000000, -0.0005340000000000 ] - [ -0.0007534200000000, -0.0066897200000000, -0.0066521700000000 ] - [ -0.0001014500000000, 0.0040691500000000, 0.0032695800000000 ] - [ -0.0003732200000000, -0.0033899500000000, 0.0002670300000000 ] - [ -0.0001585200000000, 0.0017689600000000, -0.0005517600000000 ] - [ -0.0002149500000000, -0.0004103500000000, 0.0000077600000000 ] - [ -0.0002185300000000, 0.0005349900000000, -0.0000475800000000 ] - [ 0.0041335700000000, 0.0216535900000000, 0.0074077900000000 ] - [ -0.0031340300000000, 0.0240114500000000, 0.0012799800000000 ] - [ -0.0000310200000000, -0.0002356800000000, -0.0017515200000000 ] - [ 0.0000165200000000, -0.0001668000000000, 0.0000895400000000 ] - [ -0.0003798800000000, 0.0009690400000000, 0.0059949100000000 ] - [ 0.0056051000000000, 0.0157399900000000, -0.0129515000000000 ] - [ 0.0042267300000000, 0.0025588900000000, 0.0018807200000000 ] - [ -0.0006283100000000, -0.0002112000000000, -0.0015155900000000 ] - [ 0.0001411600000000, 0.0002811500000000, -0.0007779900000000 ] - [ 0.0000974000000000, 0.0002190100000000, 0.0001179100000000 ] - [ 0.0000476900000000, -0.0015667100000000, -0.0001941000000000 ] - [ 0.0009621000000000, 0.0017264800000000, -0.0004961900000000 ] - [ 0.0104604200000000, -0.0070051300000000, -0.0030993300000000 ] - [ -0.0008453100000000, 0.0028537100000000, 0.0007505000000000 ] - [ -0.0010375700000000, -0.0040945600000000, -0.0038614200000000 ] - [ 0.0002403400000000, 0.0025173500000000, 0.0001206200000000 ] - [ -0.0001760600000000, -0.0007055100000000, -0.0001582600000000 ] - [ -0.0000547900000000, 0.0007530600000000, -0.0002897600000000 ] - [ 0.0001933900000000, -0.0011099200000000, -0.0010467100000000 ] - [ 0.0002549600000000, 0.0009986400000000, -0.0003970700000000 ] - [ -0.0006760200000000, -0.0003063800000000, 0.0029641100000000 ] - [ 0.0007346100000000, 0.0007759300000000, -0.0002903200000000 ] - [ 0.0002890600000000, 0.0001324200000000, -0.0006443000000000 ] - [ 0.0000667300000000, -0.0001432800000000, 0.0002047200000000 ] - [ -0.0001447500000000, -0.0002662100000000, 0.0009252600000000 ] - [ 0.0032773900000000, 0.0066442500000000, 0.0002462600000000 ] - [ 0.0004983600000000, -0.0005957600000000, -0.0009371900000000 ] - [ 0.0002738100000000, 0.0001386600000000, 0.0003912400000000 ] - [ -0.0000097100000000, -0.0001965700000000, -0.0006654500000000 ] - [ 0.0000050600000000, 0.0003192800000000, -0.0001101700000000 ] - [ 0.0000587600000000, -0.0019579200000000, -0.0007907200000000 ] - [ 0.0000788200000000, 0.0021256600000000, 0.0016178000000000 ] - [ 0.0022810300000000, -0.0103812700000000, 0.0038379000000000 ] - [ -0.0000657100000000, 0.0044254200000000, -0.0011949400000000 ] - [ -0.0000233900000000, -0.0012857100000000, -0.0015979500000000 ] - [ -0.0001860900000000, 0.0010253700000000, -0.0004498600000000 ] - [ 0.0001319500000000, -0.0007641500000000, -0.0002918400000000 ] - [ -0.0000817900000000, 0.0014877600000000, -0.0010162800000000 ] - [ 0.0005710300000000, -0.0056277500000000, -0.0037287000000000 ] - [ -0.0000350600000000, 0.0026224900000000, -0.0000213300000000 ] - [ 0.0003073200000000, -0.0005583900000000, 0.0004174300000000 ] - [ -0.0011719500000000, 0.0005703600000000, -0.0010246300000000 ] - [ -0.0140386800000000, 0.0038218600000000, -0.0016372200000000 ] - [ 0.0015325000000000, 0.0041300900000000, 0.0030886500000000 ] - [ -0.0001902100000000, 0.0004820200000000, -0.0010025500000000 ] - [ -0.0001279600000000, 0.0001678800000000, -0.0001481800000000 ] - [ -0.0027296500000000, 0.0014112100000000, 0.0021458600000000 ] - [ -0.0002175700000000, 0.0014325300000000, -0.0061458800000000 ]- atom: 33 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0007638800000000, -0.0232886700000000, -0.0053216600000000 ] - [ -0.0001975200000000, 0.0063077800000000, -0.0038516600000000 ] - [ 0.0000759000000000, -0.0003681800000000, -0.0003346800000000 ] - [ 0.0003035700000000, 0.0007848400000000, -0.0006370300000000 ] - [ 0.0020021400000000, -0.0016134100000000, -0.0029918900000000 ] - [ -0.0003323200000000, 0.0016624900000000, 0.0016257300000000 ] - [ -0.0098010800000000, -0.0110457000000000, 0.0021124200000000 ] - [ 0.0048675400000000, 0.0068880700000000, -0.0000621800000000 ] - [ 0.0007807500000000, -0.0038478500000000, 0.0003866200000000 ] - [ 0.0005811700000000, 0.0029184400000000, -0.0025150300000000 ] - [ -0.0000237800000000, -0.0005945600000000, -0.0007201000000000 ] - [ -0.0001601300000000, 0.0005167300000000, -0.0003731800000000 ] - [ -0.0012568200000000, -0.0007832600000000, -0.0025820300000000 ] - [ -0.0000908200000000, 0.0012007000000000, 0.0011674200000000 ] - [ 0.0006246100000000, -0.0114925500000000, -0.0007907800000000 ] - [ -0.0042157200000000, 0.0074929700000000, 0.0021378200000000 ] - [ -0.0001828600000000, -0.0584003800000000, 0.0306907400000000 ] - [ -0.0003302000000000, 0.0109105300000000, 0.0087157300000000 ] - [ 0.0007301400000000, -0.0061464100000000, 0.0031055500000000 ] - [ -0.0020849400000000, 0.0069655400000000, -0.0056140200000000 ] - [ 0.0003291300000000, -0.0015862500000000, -0.0032075700000000 ] - [ 0.0003294700000000, 0.0034723400000000, 0.0010704200000000 ] - [ 0.0002496700000000, -0.0009966900000000, -0.0006676900000000 ] - [ 0.0000577200000000, 0.0010583200000000, -0.0007484500000000 ] - [ 0.0000537300000000, -0.0029855500000000, 0.0016418700000000 ] - [ -0.0001136100000000, 0.0029472200000000, -0.0003728800000000 ] - [ -0.0027983700000000, -0.0087587500000000, 0.0024619100000000 ] - [ 0.0014640600000000, 0.0062694300000000, 0.0037645600000000 ] - [ -0.0002388400000000, -0.0013965200000000, -0.0012370200000000 ] - [ 0.0001433200000000, 0.0012381600000000, -0.0006736200000000 ] - [ -0.0003190800000000, -0.0027609400000000, -0.0049116700000000 ] - [ -0.0002919500000000, 0.0028198100000000, 0.0008688900000000 ] - [ 0.0201706400000000, 0.1416400300000000, -0.0408996000000000 ] - [ -0.0003291300000000, -0.0071423400000000, 0.0006233800000000 ] - [ 0.0008326700000000, 0.0068995800000000, 0.0065283100000000 ] - [ 0.0001871200000000, -0.0037976500000000, -0.0033990800000000 ] - [ 0.0004212100000000, 0.0034303100000000, -0.0001828700000000 ] - [ 0.0002060100000000, -0.0017531000000000, 0.0006610600000000 ] - [ -0.0002872100000000, 0.0004489900000000, 0.0003604400000000 ] - [ -0.0002832600000000, -0.0004916200000000, 0.0004167600000000 ] - [ -0.0041844700000000, -0.0212729500000000, -0.0069254900000000 ] - [ 0.0030715800000000, -0.0243041400000000, -0.0008758900000000 ] - [ -0.0001233400000000, 0.0003848500000000, 0.0014689700000000 ] - [ -0.0001744800000000, 0.0003288800000000, -0.0003684500000000 ] - [ 0.0004768700000000, -0.0006670800000000, -0.0055101600000000 ] - [ -0.0054605500000000, -0.0153236000000000, 0.0133798600000000 ] - [ -0.0044160000000000, -0.0028111100000000, -0.0018198500000000 ] - [ 0.0004729500000000, 0.0000251400000000, 0.0015944400000000 ] - [ -0.0001054800000000, 0.0000270600000000, 0.0007414200000000 ] - [ -0.0000601400000000, 0.0000765000000000, -0.0001438200000000 ] - [ -0.0001111600000000, 0.0015578800000000, 0.0003169300000000 ] - [ -0.0010192300000000, -0.0017341900000000, 0.0006115300000000 ] - [ -0.0108669200000000, 0.0065979200000000, 0.0028090500000000 ] - [ 0.0005031400000000, -0.0031356100000000, -0.0011177200000000 ] - [ 0.0011185000000000, 0.0042095400000000, 0.0036668600000000 ] - [ -0.0000863300000000, -0.0024318500000000, -0.0002185900000000 ] - [ 0.0000078700000000, 0.0006844400000000, 0.0002279400000000 ] - [ -0.0001135400000000, -0.0007723400000000, 0.0003580300000000 ] - [ -0.0000167900000000, 0.0012702900000000, 0.0005339600000000 ] - [ -0.0000796100000000, -0.0008326400000000, -0.0001039400000000 ] - [ 0.0004973000000000, 0.0004842800000000, -0.0024659600000000 ] - [ -0.0009142500000000, -0.0006224800000000, 0.0007903000000000 ] - [ -0.0001225700000000, -0.0001594000000000, 0.0005651100000000 ] - [ 0.0001014900000000, 0.0001249800000000, -0.0002839500000000 ] - [ -0.0000065100000000, 0.0003356700000000, -0.0007951900000000 ] - [ -0.0034784800000000, -0.0065670600000000, -0.0001269000000000 ] - [ -0.0001507500000000, 0.0003230600000000, 0.0012888400000000 ] - [ 0.0000731500000000, -0.0004334700000000, -0.0000374200000000 ] - [ 0.0000736700000000, 0.0001838900000000, 0.0005373000000000 ] - [ 0.0000586200000000, -0.0003251700000000, -0.0000196100000000 ] - [ -0.0001001200000000, 0.0022545800000000, 0.0008184300000000 ] - [ -0.0001150600000000, -0.0018257600000000, -0.0015990400000000 ] - [ -0.0021064000000000, 0.0101965800000000, -0.0039051100000000 ] - [ 0.0002357100000000, -0.0046310100000000, 0.0011261100000000 ] - [ -0.0000689600000000, 0.0015625100000000, 0.0010868600000000 ] - [ 0.0000942800000000, -0.0007420600000000, -0.0000455400000000 ] - [ 0.0000264200000000, 0.0009262000000000, 0.0005565700000000 ] - [ 0.0002391900000000, -0.0013203000000000, 0.0012749300000000 ] - [ -0.0003624200000000, 0.0056908700000000, 0.0032803600000000 ] - [ 0.0001737800000000, -0.0026011400000000, -0.0003386000000000 ] - [ 0.0001938500000000, 0.0006016300000000, -0.0007898400000000 ] - [ 0.0016633600000000, -0.0005338000000000, 0.0006462500000000 ] - [ 0.0138658200000000, -0.0037973300000000, 0.0015298500000000 ] - [ -0.0015898400000000, -0.0041083700000000, -0.0031993500000000 ] - [ 0.0001035300000000, -0.0002016100000000, 0.0011030500000000 ] - [ 0.0000393700000000, 0.0000993900000000, 0.0002619200000000 ] - [ 0.0024779900000000, -0.0017173800000000, -0.0022163700000000 ] - [ -0.0000441100000000, -0.0016962100000000, 0.0060869900000000 ]- atom: 33 displacement: [ -0.0014701282124378, 0.0000000000000000, 0.0098913458659069 ] forces: - [ -0.0066362900000000, 0.0006244100000000, 0.0283133400000000 ] - [ -0.0000687500000000, 0.0015948100000000, 0.0017525000000000 ] - [ 0.0002136200000000, 0.0001271800000000, -0.0037893100000000 ] - [ 0.0004110100000000, 0.0004052700000000, -0.0028058600000000 ] - [ 0.0026884200000000, 0.0006697200000000, -0.0053797700000000 ] - [ 0.0008701200000000, -0.0003447400000000, -0.0006547700000000 ] - [ -0.0009226100000000, -0.0032480400000000, 0.0152624700000000 ] - [ 0.0010901900000000, 0.0019929800000000, 0.0036873500000000 ] - [ 0.0006817900000000, -0.0030164200000000, 0.0011639000000000 ] - [ 0.0001053100000000, 0.0011908700000000, 0.0009184000000000 ] - [ -0.0000813500000000, -0.0002286400000000, -0.0030858400000000 ] - [ -0.0002617000000000, -0.0001097700000000, -0.0024405000000000 ] - [ -0.0024359800000000, 0.0006633800000000, -0.0047467200000000 ] - [ -0.0005138300000000, 0.0000338600000000, -0.0013758400000000 ] - [ 0.0006586500000000, 0.0010969700000000, 0.0136243200000000 ] - [ -0.0004897200000000, 0.0015092800000000, 0.0057385100000000 ] - [ -0.0020853100000000, -0.0267300800000000, 0.0488013300000000 ] - [ -0.0009927200000000, -0.0007813700000000, 0.0046224700000000 ] - [ 0.0003979800000000, -0.0056144300000000, -0.0068300500000000 ] - [ -0.0018930500000000, 0.0049354500000000, -0.0060426200000000 ] - [ -0.0030507900000000, 0.0039585300000000, -0.0046574000000000 ] - [ -0.0003791600000000, -0.0056531300000000, -0.0021707700000000 ] - [ -0.0000013700000000, -0.0006443700000000, -0.0044373200000000 ] - [ 0.0003401900000000, 0.0007932500000000, -0.0030436800000000 ] - [ -0.0001067200000000, -0.0019378200000000, -0.0014622600000000 ] - [ 0.0001385100000000, 0.0020639500000000, -0.0015045000000000 ] - [ 0.0018609300000000, -0.0002166400000000, 0.0047921600000000 ] - [ 0.0005409000000000, 0.0005450200000000, 0.0023728800000000 ] - [ -0.0000341300000000, -0.0011282500000000, -0.0050975800000000 ] - [ -0.0001202300000000, 0.0009918900000000, -0.0033269500000000 ] - [ 0.0025719800000000, 0.0055302200000000, -0.0083457600000000 ] - [ 0.0001381600000000, -0.0030024700000000, -0.0026344000000000 ] - [ 0.0239029900000000, 0.0427407300000000, -0.1096810800000000 ] - [ 0.0001736500000000, -0.0007712000000000, -0.0016862200000000 ] - [ 0.0008103100000000, 0.0017947200000000, 0.0106725500000000 ] - [ 0.0005494500000000, -0.0011959900000000, -0.0009380400000000 ] - [ 0.0007137300000000, -0.0039269700000000, 0.0047666900000000 ] - [ -0.0004136100000000, 0.0007938100000000, 0.0003370600000000 ] - [ -0.0003829200000000, 0.0000848500000000, 0.0016267200000000 ] - [ -0.0003844600000000, -0.0004388600000000, 0.0010899900000000 ] - [ 0.0002446500000000, -0.0006600200000000, -0.0160565600000000 ] - [ 0.0016516800000000, -0.0024099600000000, -0.0046835000000000 ] - [ -0.0000614600000000, 0.0002727400000000, 0.0030503600000000 ] - [ -0.0003820100000000, 0.0013551200000000, 0.0023366600000000 ] - [ -0.0007034100000000, 0.0040563800000000, 0.0010046000000000 ] - [ -0.0048850400000000, -0.0137103000000000, 0.0119316700000000 ] - [ 0.0086858200000000, 0.0081033800000000, 0.0017039700000000 ] - [ -0.0000834800000000, -0.0020237300000000, -0.0003781200000000 ] - [ -0.0000139500000000, -0.0008628900000000, 0.0023583800000000 ] - [ -0.0002318400000000, 0.0001384900000000, 0.0018833700000000 ] - [ -0.0009109500000000, 0.0011858600000000, 0.0020730800000000 ] - [ -0.0008965600000000, -0.0007446100000000, 0.0014817400000000 ] - [ -0.0177781900000000, -0.0041786100000000, 0.0047032600000000 ] - [ -0.0004265000000000, -0.0003814900000000, -0.0012248600000000 ] - [ 0.0079623700000000, -0.0025003300000000, 0.0019551200000000 ] - [ 0.0001478700000000, 0.0000959700000000, -0.0022064400000000 ] - [ 0.0001067500000000, 0.0000274600000000, 0.0021647500000000 ] - [ -0.0001013700000000, -0.0006576700000000, 0.0017595300000000 ] - [ 0.0001437100000000, 0.0011272600000000, 0.0025307100000000 ] - [ 0.0002257900000000, 0.0009896100000000, 0.0014708300000000 ] - [ -0.0004316500000000, 0.0008140500000000, -0.0004821700000000 ] - [ -0.0013458900000000, -0.0019474100000000, 0.0009551300000000 ] - [ -0.0002004000000000, -0.0001539900000000, 0.0020564800000000 ] - [ 0.0000700200000000, 0.0005128500000000, 0.0015514600000000 ] - [ 0.0000563800000000, -0.0005820100000000, -0.0048921900000000 ] - [ -0.0027484800000000, -0.0004078600000000, -0.0023083100000000 ] - [ -0.0002790200000000, -0.0014223200000000, 0.0019246100000000 ] - [ 0.0007356900000000, 0.0010148100000000, 0.0018029500000000 ] - [ 0.0001227300000000, -0.0001265600000000, 0.0019422200000000 ] - [ 0.0001208000000000, -0.0004711100000000, 0.0012895800000000 ] - [ -0.0004034700000000, 0.0012454400000000, 0.0011419900000000 ] - [ -0.0002727700000000, -0.0005721100000000, -0.0005573600000000 ] - [ -0.0026983400000000, 0.0034957000000000, -0.0039183000000000 ] - [ -0.0000848200000000, -0.0005887400000000, -0.0006961400000000 ] - [ -0.0001191400000000, 0.0017787000000000, 0.0036089200000000 ] - [ -0.0000116800000000, 0.0009525100000000, 0.0012888600000000 ] - [ 0.0001541200000000, -0.0000911000000000, 0.0033364300000000 ] - [ 0.0002632600000000, -0.0011615700000000, 0.0026210500000000 ] - [ -0.0112356400000000, -0.0025431200000000, 0.0093704200000000 ] - [ 0.0001094200000000, -0.0002529600000000, -0.0015212400000000 ] - [ 0.0012944100000000, 0.0011383300000000, 0.0007792900000000 ] - [ 0.0015405900000000, -0.0003536300000000, 0.0007733200000000 ] - [ 0.0094339700000000, -0.0052433400000000, -0.0027323400000000 ] - [ 0.0003016100000000, -0.0011626900000000, -0.0021391800000000 ] - [ -0.0000304400000000, -0.0014061100000000, 0.0034228200000000 ] - [ 0.0001580900000000, -0.0000814400000000, 0.0019438800000000 ] - [ -0.0043992100000000, 0.0059226800000000, -0.0011988800000000 ] - [ -0.0003972000000000, -0.0026816400000000, -0.0006272500000000 ]- atom: 33 displacement: [ 0.0014701282124378, 0.0000000000000000, -0.0098913458659069 ] forces: - [ 0.0066652500000000, 0.0001903300000000, -0.0266097800000000 ] - [ 0.0000347600000000, -0.0017786100000000, -0.0016008400000000 ] - [ -0.0000229600000000, 0.0003321100000000, 0.0040469700000000 ] - [ -0.0002189600000000, 0.0000435900000000, 0.0030679500000000 ] - [ -0.0025875300000000, -0.0006961000000000, 0.0052612900000000 ] - [ -0.0007544500000000, 0.0003159200000000, 0.0005209400000000 ] - [ 0.0010390800000000, 0.0027269800000000, -0.0155405400000000 ] - [ -0.0011586600000000, -0.0024357800000000, -0.0039610900000000 ] - [ -0.0005985100000000, 0.0025974700000000, -0.0008630400000000 ] - [ -0.0000295700000000, -0.0016389700000000, -0.0006084700000000 ] - [ -0.0000324100000000, 0.0002076400000000, 0.0031975400000000 ] - [ 0.0001451900000000, 0.0000783800000000, 0.0025501200000000 ] - [ 0.0022600400000000, -0.0002141400000000, 0.0044744000000000 ] - [ 0.0003216800000000, 0.0004187900000000, 0.0010888500000000 ] - [ -0.0007499800000000, -0.0013490700000000, -0.0137020500000000 ] - [ 0.0005169000000000, -0.0016817600000000, -0.0058239300000000 ] - [ 0.0024613800000000, 0.0288608400000000, -0.0500230800000000 ] - [ 0.0013124600000000, 0.0006987000000000, -0.0046960900000000 ] - [ -0.0005727000000000, 0.0055208800000000, 0.0067332400000000 ] - [ 0.0017291300000000, -0.0050954800000000, 0.0059415200000000 ] - [ 0.0031830600000000, -0.0042952700000000, 0.0048423000000000 ] - [ 0.0005444900000000, 0.0052347200000000, 0.0023240200000000 ] - [ 0.0001123000000000, 0.0008206600000000, 0.0040113800000000 ] - [ -0.0002255200000000, -0.0006197400000000, 0.0026254000000000 ] - [ -0.0000051900000000, 0.0021245200000000, 0.0018498100000000 ] - [ -0.0002518600000000, -0.0018981100000000, 0.0019021100000000 ] - [ -0.0020528700000000, -0.0000956400000000, -0.0049690700000000 ] - [ -0.0007156800000000, -0.0009342800000000, -0.0025596200000000 ] - [ 0.0002014300000000, 0.0009840900000000, 0.0051786900000000 ] - [ 0.0002862000000000, -0.0011329100000000, 0.0034138200000000 ] - [ -0.0028604900000000, -0.0055122300000000, 0.0083603500000000 ] - [ -0.0004490300000000, 0.0029224700000000, 0.0026442300000000 ] - [ -0.0239261600000000, -0.0460752200000000, 0.1094009700000000 ] - [ 0.0000892200000000, 0.0005064000000000, 0.0017627400000000 ] - [ -0.0007281600000000, -0.0015258300000000, -0.0108752100000000 ] - [ -0.0004615100000000, 0.0014793300000000, 0.0008438500000000 ] - [ -0.0006588100000000, 0.0038932700000000, -0.0046215300000000 ] - [ 0.0004542900000000, -0.0007539900000000, -0.0002389700000000 ] - [ -0.0001189100000000, -0.0000463300000000, -0.0012487400000000 ] - [ -0.0001181000000000, 0.0004792900000000, -0.0007165500000000 ] - [ -0.0003912700000000, 0.0005913200000000, 0.0164469400000000 ] - [ -0.0017981900000000, 0.0025498300000000, 0.0050537700000000 ] - [ -0.0000955300000000, -0.0001075000000000, -0.0033190400000000 ] - [ 0.0002252600000000, -0.0011980300000000, -0.0026021400000000 ] - [ 0.0007996600000000, -0.0037933700000000, -0.0004830300000000 ] - [ 0.0050124900000000, 0.0140157300000000, -0.0114988900000000 ] - [ -0.0087345700000000, -0.0082422600000000, -0.0016231400000000 ] - [ -0.0000820400000000, 0.0018013000000000, 0.0004308000000000 ] - [ 0.0000525600000000, 0.0011574300000000, -0.0023815500000000 ] - [ 0.0002677300000000, 0.0001626900000000, -0.0019001700000000 ] - [ 0.0008514600000000, -0.0012007000000000, -0.0019443600000000 ] - [ 0.0008341300000000, 0.0007400900000000, -0.0013518700000000 ] - [ 0.0175812200000000, 0.0039126500000000, -0.0050389900000000 ] - [ 0.0000746800000000, 0.0001022900000000, 0.0008760700000000 ] - [ -0.0077858900000000, 0.0025623300000000, -0.0021421200000000 ] - [ 0.0000019700000000, 0.0000047000000000, 0.0020689500000000 ] - [ -0.0002753200000000, -0.0000540900000000, -0.0020829000000000 ] - [ -0.0000664200000000, 0.0006372600000000, -0.0016788000000000 ] - [ 0.0000347300000000, -0.0009663300000000, -0.0030282500000000 ] - [ -0.0000470100000000, -0.0008136500000000, -0.0019665500000000 ] - [ 0.0002508900000000, -0.0006504400000000, 0.0010071900000000 ] - [ 0.0011752300000000, 0.0021126500000000, -0.0004481700000000 ] - [ 0.0003677900000000, 0.0001356500000000, -0.0021244700000000 ] - [ 0.0000983900000000, -0.0005344200000000, -0.0016171600000000 ] - [ -0.0002072500000000, 0.0006638100000000, 0.0049902000000000 ] - [ 0.0026134800000000, 0.0005361100000000, 0.0024164200000000 ] - [ 0.0006243900000000, 0.0011230600000000, -0.0015690100000000 ] - [ -0.0003807300000000, -0.0012952100000000, -0.0014380200000000 ] - [ -0.0000588500000000, 0.0001161500000000, -0.0020636000000000 ] - [ -0.0000566300000000, 0.0004584500000000, -0.0014087300000000 ] - [ 0.0003653400000000, -0.0009507800000000, -0.0011085000000000 ] - [ 0.0002360900000000, 0.0008801700000000, 0.0005942100000000 ] - [ 0.0028889600000000, -0.0037557800000000, 0.0038668200000000 ] - [ 0.0002430400000000, 0.0003902200000000, 0.0006249800000000 ] - [ 0.0000263800000000, -0.0014985200000000, -0.0040977600000000 ] - [ -0.0000805600000000, -0.0006614300000000, -0.0017826600000000 ] - [ 0.0000035100000000, 0.0002463100000000, -0.0030626100000000 ] - [ -0.0001050800000000, 0.0013234000000000, -0.0023440900000000 ] - [ 0.0112259000000000, 0.0025305800000000, -0.0096808100000000 ] - [ 0.0000328100000000, 0.0002895600000000, 0.0011371200000000 ] - [ -0.0007967100000000, -0.0011026900000000, -0.0011462000000000 ] - [ -0.0010420600000000, 0.0003966500000000, -0.0011411800000000 ] - [ -0.0095214000000000, 0.0052519700000000, 0.0026627900000000 ] - [ -0.0003396900000000, 0.0012051600000000, 0.0020526100000000 ] - [ -0.0000595600000000, 0.0016689000000000, -0.0033016000000000 ] - [ -0.0002455800000000, 0.0003546100000000, -0.0018245000000000 ] - [ 0.0040883700000000, -0.0061517800000000, 0.0010993600000000 ] - [ 0.0001350200000000, 0.0023990800000000, 0.0004887200000000 ]- atom: 35 displacement: [ 0.0099999999959232, 0.0000000000000000, 0.0000002855446085 ] forces: - [ 0.0003356100000000, -0.0000410300000000, -0.0005831700000000 ] - [ 0.0001031500000000, 0.0000648800000000, -0.0003583900000000 ] - [ -0.0002638600000000, -0.0001495600000000, 0.0029257600000000 ] - [ -0.0000245600000000, 0.0003427700000000, 0.0006748900000000 ] - [ -0.0030600000000000, -0.0079370400000000, 0.0056284200000000 ] - [ -0.0008684000000000, 0.0012396000000000, 0.0000030700000000 ] - [ -0.0008698000000000, 0.0019620800000000, -0.0024691100000000 ] - [ -0.0008195800000000, -0.0010442000000000, -0.0010296000000000 ] - [ -0.0002047000000000, -0.0003191000000000, -0.0004321200000000 ] - [ -0.0000945500000000, -0.0001109300000000, -0.0001629300000000 ] - [ 0.0002158000000000, -0.0012981300000000, -0.0011226500000000 ] - [ -0.0000636400000000, 0.0017495100000000, -0.0003821400000000 ] - [ 0.0228485800000000, -0.0070969800000000, 0.0101435600000000 ] - [ 0.0003647900000000, -0.0003424700000000, -0.0003062000000000 ] - [ 0.0002550700000000, -0.0006243700000000, 0.0007429100000000 ] - [ 0.0005092600000000, 0.0011403900000000, 0.0009037800000000 ] - [ 0.0118050000000000, 0.0003882200000000, 0.0047371700000000 ] - [ 0.0009816300000000, 0.0008590800000000, -0.0007565500000000 ] - [ 0.0145635800000000, -0.0103523900000000, -0.0022805300000000 ] - [ 0.0040581200000000, -0.0010559400000000, 0.0024728400000000 ] - [ -0.0001239500000000, -0.0004359600000000, -0.0005997100000000 ] - [ -0.0001087500000000, -0.0000482900000000, -0.0005922200000000 ] - [ -0.0030910500000000, 0.0007978000000000, -0.0015780600000000 ] - [ -0.0003637200000000, 0.0003560800000000, -0.0000523800000000 ] - [ -0.0101082800000000, -0.0020326200000000, -0.0004741500000000 ] - [ -0.0030922200000000, 0.0002465300000000, 0.0010765800000000 ] - [ -0.0105176100000000, -0.0016999700000000, 0.0019877900000000 ] - [ -0.0005423700000000, -0.0000700600000000, 0.0001068200000000 ] - [ 0.0034672100000000, 0.0003209300000000, 0.0000294000000000 ] - [ 0.0007101500000000, 0.0006039200000000, 0.0009386200000000 ] - [ 0.0000937200000000, -0.0004103000000000, -0.0003800500000000 ] - [ 0.0000548400000000, 0.0001878200000000, -0.0003241300000000 ] - [ -0.0016433100000000, -0.0009194200000000, 0.0005312800000000 ] - [ -0.0001825900000000, -0.0002858200000000, 0.0005057700000000 ] - [ -0.0736479200000000, 0.0215057400000000, -0.0233850800000000 ] - [ -0.0006693500000000, 0.0000247700000000, -0.0004279200000000 ] - [ -0.0000376900000000, -0.0000236600000000, 0.0002223000000000 ] - [ -0.0000705400000000, -0.0001389900000000, 0.0002271500000000 ] - [ -0.0001100500000000, 0.0004852900000000, -0.0003530200000000 ] - [ -0.0000575400000000, -0.0002358300000000, -0.0000031600000000 ] - [ 0.0016559100000000, 0.0018462800000000, 0.0017750200000000 ] - [ -0.0003956700000000, -0.0002412300000000, 0.0005930000000000 ] - [ -0.0025732400000000, 0.0013639600000000, -0.0026193700000000 ] - [ 0.0017958700000000, -0.0018784400000000, -0.0026087300000000 ] - [ -0.0001556500000000, -0.0026639700000000, 0.0015157400000000 ] - [ -0.0019087500000000, 0.0080630400000000, 0.0006715700000000 ] - [ 0.0001373900000000, 0.0000099300000000, 0.0003864000000000 ] - [ -0.0000039800000000, -0.0000132600000000, 0.0001879900000000 ] - [ 0.0004943000000000, 0.0002665100000000, 0.0000665500000000 ] - [ 0.0004677400000000, -0.0004879400000000, 0.0000347400000000 ] - [ 0.0121992100000000, -0.0079126100000000, -0.0071559500000000 ] - [ 0.0003511500000000, -0.0002688600000000, -0.0002944900000000 ] - [ 0.0126778700000000, 0.0024630200000000, 0.0110997400000000 ] - [ 0.0000999800000000, -0.0000963200000000, -0.0000763100000000 ] - [ 0.0001760100000000, 0.0000646700000000, 0.0007362500000000 ] - [ 0.0001474600000000, 0.0000507500000000, 0.0004110700000000 ] - [ 0.0030303300000000, 0.0026113100000000, 0.0021930200000000 ] - [ 0.0003995600000000, -0.0000636300000000, 0.0000153800000000 ] - [ 0.0002174300000000, 0.0005500200000000, 0.0005352300000000 ] - [ 0.0002543200000000, -0.0001261400000000, -0.0001103700000000 ] - [ 0.0009156200000000, 0.0001225000000000, -0.0001289400000000 ] - [ 0.0021017100000000, 0.0016420300000000, 0.0004999100000000 ] - [ 0.0060968600000000, 0.0009159100000000, -0.0032037900000000 ] - [ 0.0016500900000000, -0.0003497700000000, -0.0002466500000000 ] - [ 0.0012135800000000, -0.0000779500000000, 0.0000336900000000 ] - [ 0.0002094700000000, -0.0001829100000000, 0.0002205600000000 ] - [ 0.0002029700000000, 0.0000103500000000, 0.0004324100000000 ] - [ 0.0002463900000000, -0.0003013100000000, 0.0006218100000000 ] - [ -0.0013984200000000, -0.0019021100000000, 0.0072693100000000 ] - [ -0.0000938600000000, 0.0002120600000000, 0.0000190300000000 ] - [ 0.0103817500000000, 0.0017658300000000, -0.0018544600000000 ] - [ 0.0004684800000000, -0.0000573700000000, -0.0002082300000000 ] - [ 0.0018619600000000, -0.0002114300000000, -0.0004423500000000 ] - [ 0.0005762700000000, -0.0002211100000000, 0.0000698200000000 ] - [ -0.0002687900000000, 0.0005137000000000, 0.0002786800000000 ] - [ -0.0002231400000000, -0.0001946100000000, -0.0003421300000000 ] - [ -0.0050606200000000, 0.0020940100000000, 0.0018758400000000 ] - [ -0.0005197100000000, 0.0000646000000000, -0.0001580900000000 ] - [ -0.0000606700000000, 0.0000912600000000, 0.0000205800000000 ] - [ 0.0001211400000000, -0.0003269600000000, -0.0003515800000000 ] - [ 0.0008375600000000, 0.0064544300000000, 0.0018540600000000 ] - [ -0.0001907500000000, -0.0055054600000000, -0.0012054500000000 ] - [ 0.0039459800000000, -0.0039184700000000, -0.0080094700000000 ] - [ -0.0002797900000000, 0.0003137900000000, -0.0002211800000000 ] - [ -0.0005421800000000, 0.0003279600000000, -0.0001290300000000 ] - [ -0.0005386400000000, -0.0003698300000000, 0.0000447700000000 ] - [ -0.0002569500000000, 0.0000066000000000, -0.0000508200000000 ] - [ -0.0001940400000000, -0.0000551800000000, 0.0001504300000000 ]- atom: 35 displacement: [ -0.0099999999959232, 0.0000000000000000, -0.0000002855446085 ] forces: - [ -0.0003689500000000, -0.0001307300000000, 0.0007299900000000 ] - [ -0.0001364500000000, -0.0002223300000000, 0.0004808800000000 ] - [ 0.0004924200000000, 0.0006318500000000, -0.0026392400000000 ] - [ 0.0002337500000000, 0.0000908300000000, -0.0003907700000000 ] - [ 0.0038333700000000, 0.0081320800000000, -0.0058808900000000 ] - [ 0.0010208400000000, -0.0012818000000000, -0.0001197900000000 ] - [ 0.0008277200000000, -0.0023824800000000, 0.0021845800000000 ] - [ 0.0007803100000000, 0.0006184800000000, 0.0007374600000000 ] - [ 0.0002810800000000, -0.0001155000000000, 0.0007171000000000 ] - [ 0.0001714600000000, -0.0003236700000000, 0.0004477300000000 ] - [ -0.0003610300000000, 0.0012844700000000, 0.0012416400000000 ] - [ -0.0000604300000000, -0.0018067300000000, 0.0005162700000000 ] - [ -0.0240515800000000, 0.0081657700000000, -0.0113097300000000 ] - [ -0.0005793200000000, 0.0007800200000000, 0.0000357400000000 ] - [ -0.0002468200000000, 0.0004606800000000, -0.0008526200000000 ] - [ -0.0005053100000000, -0.0012918300000000, -0.0010238900000000 ] - [ -0.0115836500000000, -0.0003927000000000, -0.0048915800000000 ] - [ -0.0006768300000000, -0.0009297200000000, 0.0007504900000000 ] - [ -0.0148733500000000, 0.0104306500000000, 0.0021787600000000 ] - [ -0.0042593500000000, 0.0009115100000000, -0.0026002700000000 ] - [ 0.0002993600000000, 0.0000811200000000, 0.0007742100000000 ] - [ 0.0002847200000000, -0.0003118400000000, 0.0007757600000000 ] - [ 0.0032369300000000, -0.0006110600000000, 0.0012223300000000 ] - [ 0.0004800200000000, -0.0001842900000000, -0.0003501500000000 ] - [ 0.0099766900000000, 0.0022978200000000, 0.0008800200000000 ] - [ 0.0029915000000000, -0.0001324500000000, -0.0006849100000000 ] - [ 0.0103301900000000, 0.0013187400000000, -0.0022135900000000 ] - [ 0.0003726100000000, -0.0002866100000000, -0.0002803800000000 ] - [ -0.0033236200000000, -0.0004162600000000, 0.0000569600000000 ] - [ -0.0005591700000000, -0.0007780300000000, -0.0008772900000000 ] - [ -0.0004124100000000, 0.0003704400000000, 0.0004047600000000 ] - [ -0.0003737300000000, -0.0002337600000000, 0.0003547100000000 ] - [ 0.0018991100000000, 0.0006670000000000, -0.0004980600000000 ] - [ 0.0004438100000000, 0.0000026300000000, -0.0004231700000000 ] - [ 0.0741609300000000, -0.0223372400000000, 0.0243813900000000 ] - [ 0.0007644300000000, 0.0002618200000000, 0.0003220000000000 ] - [ 0.0000809400000000, 0.0000518800000000, -0.0001261800000000 ] - [ 0.0001152500000000, 0.0001646200000000, -0.0001288500000000 ] - [ -0.0004057700000000, -0.0004533300000000, 0.0007200600000000 ] - [ -0.0004558300000000, 0.0002873300000000, 0.0003777400000000 ] - [ -0.0018093500000000, -0.0019464600000000, -0.0015191800000000 ] - [ 0.0002529400000000, 0.0002675800000000, -0.0002307100000000 ] - [ 0.0023937800000000, -0.0012034300000000, 0.0023536300000000 ] - [ -0.0019878800000000, 0.0021557300000000, 0.0024711900000000 ] - [ 0.0002077400000000, 0.0030038900000000, -0.0010655000000000 ] - [ 0.0019385600000000, -0.0078192000000000, -0.0001451900000000 ] - [ -0.0003115500000000, -0.0002266800000000, -0.0003308400000000 ] - [ -0.0001610700000000, -0.0002025900000000, -0.0001245100000000 ] - [ -0.0004549900000000, 0.0000308400000000, -0.0000967300000000 ] - [ -0.0004351600000000, 0.0007997700000000, -0.0000763400000000 ] - [ -0.0121561800000000, 0.0077498100000000, 0.0071600400000000 ] - [ -0.0004273200000000, 0.0002752000000000, 0.0004228000000000 ] - [ -0.0129190400000000, -0.0027336800000000, -0.0112629300000000 ] - [ -0.0004573300000000, -0.0001887900000000, -0.0002800400000000 ] - [ -0.0000325700000000, 0.0000225200000000, -0.0008579900000000 ] - [ -0.0000004500000000, 0.0000342300000000, -0.0005359300000000 ] - [ -0.0032126700000000, -0.0026672400000000, -0.0021489900000000 ] - [ -0.0005663000000000, 0.0000546400000000, 0.0000531500000000 ] - [ -0.0000375100000000, -0.0003988200000000, -0.0010538800000000 ] - [ -0.0000781500000000, 0.0002937100000000, -0.0003959900000000 ] - [ -0.0011027300000000, 0.0000244800000000, 0.0006464500000000 ] - [ -0.0022733600000000, -0.0014520000000000, 0.0000296500000000 ] - [ -0.0059174900000000, -0.0008722000000000, 0.0030685900000000 ] - [ -0.0014848900000000, 0.0003045100000000, 0.0001611700000000 ] - [ -0.0013647400000000, 0.0001763200000000, 0.0001008500000000 ] - [ -0.0003571800000000, 0.0002683900000000, -0.0001013200000000 ] - [ 0.0001493700000000, -0.0002997000000000, -0.0000779200000000 ] - [ 0.0001053600000000, 0.0000167300000000, -0.0002737400000000 ] - [ 0.0015026000000000, 0.0019120400000000, -0.0075192900000000 ] - [ 0.0001693500000000, -0.0002206700000000, -0.0001425700000000 ] - [ -0.0104859700000000, -0.0015034200000000, 0.0019152300000000 ] - [ -0.0005064100000000, 0.0003762500000000, 0.0002397400000000 ] - [ -0.0016916100000000, -0.0000170100000000, 0.0003901200000000 ] - [ -0.0004140200000000, 0.0000068000000000, -0.0001307700000000 ] - [ 0.0001821900000000, -0.0002407600000000, -0.0007762200000000 ] - [ 0.0001396900000000, 0.0004906400000000, -0.0001466700000000 ] - [ 0.0052614700000000, -0.0019585400000000, -0.0014841100000000 ] - [ 0.0006858900000000, 0.0001092000000000, 0.0004299700000000 ] - [ 0.0002106700000000, -0.0000682900000000, -0.0003949100000000 ] - [ 0.0000235500000000, 0.0003497600000000, -0.0000213700000000 ] - [ -0.0002848100000000, -0.0064644100000000, -0.0022320600000000 ] - [ 0.0007184400000000, 0.0056053800000000, 0.0008543600000000 ] - [ -0.0039538500000000, 0.0039862600000000, 0.0079758000000000 ] - [ 0.0002457600000000, -0.0002867900000000, 0.0001191100000000 ] - [ 0.0004513200000000, -0.0000624800000000, 0.0002507900000000 ] - [ 0.0004548600000000, 0.0006405000000000, 0.0000630200000000 ] - [ 0.0000095900000000, -0.0002870400000000, -0.0000409200000000 ] - [ -0.0000624000000000, -0.0002223700000000, -0.0002382800000000 ]- atom: 35 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0000035700000000, 0.0021669700000000, -0.0026616000000000 ] - [ -0.0000061800000000, -0.0013230200000000, 0.0001602800000000 ] - [ 0.0031892300000000, 0.0031897200000000, -0.0050893000000000 ] - [ -0.0003898300000000, -0.0027348800000000, 0.0020766500000000 ] - [ -0.0063156300000000, 0.0105693900000000, 0.0050480400000000 ] - [ 0.0044330800000000, -0.0076746400000000, 0.0015015200000000 ] - [ 0.0017570400000000, 0.0039214600000000, 0.0028561800000000 ] - [ -0.0025872400000000, -0.0045109200000000, -0.0018452400000000 ] - [ -0.0000499400000000, 0.0007311300000000, -0.0011448600000000 ] - [ -0.0000492700000000, -0.0008568100000000, -0.0005053500000000 ] - [ -0.0021004500000000, 0.0015932500000000, -0.0028343600000000 ] - [ -0.0001432700000000, -0.0023246200000000, 0.0008708400000000 ] - [ -0.0078773200000000, 0.0153523400000000, -0.0024062600000000 ] - [ -0.0020751800000000, -0.0075890500000000, -0.0000756700000000 ] - [ -0.0004942900000000, 0.0021514000000000, 0.0015715300000000 ] - [ 0.0014797300000000, -0.0042927900000000, -0.0025619900000000 ] - [ -0.0006326900000000, 0.0096965700000000, 0.0028252400000000 ] - [ -0.0017920000000000, -0.0098452400000000, 0.0064512400000000 ] - [ -0.0037860200000000, 0.0671234700000000, 0.0165227500000000 ] - [ 0.0021557100000000, -0.0142794800000000, 0.0069354700000000 ] - [ -0.0000341700000000, 0.0009284200000000, -0.0011419700000000 ] - [ -0.0000974000000000, -0.0015432600000000, -0.0010319500000000 ] - [ 0.0011564900000000, 0.0025067600000000, 0.0012891600000000 ] - [ 0.0005167700000000, -0.0023109700000000, -0.0018741200000000 ] - [ -0.0029126700000000, 0.0064787200000000, 0.0022140500000000 ] - [ 0.0008190800000000, -0.0057906300000000, 0.0005471100000000 ] - [ 0.0035311100000000, 0.0039705800000000, -0.0005493100000000 ] - [ -0.0000964200000000, -0.0037019600000000, 0.0020773500000000 ] - [ 0.0002645400000000, 0.0067606100000000, 0.0013029200000000 ] - [ -0.0021917800000000, -0.0068319100000000, -0.0065537800000000 ] - [ -0.0000756300000000, 0.0013502700000000, -0.0022143100000000 ] - [ 0.0001288000000000, -0.0018667100000000, -0.0015981900000000 ] - [ -0.0005723100000000, -0.0069304000000000, 0.0015902600000000 ] - [ 0.0001266000000000, 0.0037785000000000, -0.0012975400000000 ] - [ 0.0215286900000000, -0.1445392400000000, -0.0563760500000000 ] - [ -0.0000783300000000, 0.0068041400000000, 0.0003131300000000 ] - [ -0.0000881500000000, -0.0008786700000000, 0.0008799500000000 ] - [ -0.0001085800000000, 0.0005967500000000, 0.0003031100000000 ] - [ -0.0006755000000000, -0.0024309200000000, 0.0005060300000000 ] - [ -0.0015105200000000, 0.0025962800000000, 0.0010497100000000 ] - [ 0.0018037500000000, 0.0086939600000000, 0.0078605700000000 ] - [ 0.0001431200000000, 0.0000116000000000, -0.0022689100000000 ] - [ 0.0020522200000000, 0.0043604500000000, -0.0071291900000000 ] - [ -0.0071888400000000, 0.0195223100000000, 0.0192654800000000 ] - [ -0.0058961400000000, 0.0156124700000000, -0.0123770700000000 ] - [ 0.0064548000000000, 0.0204857700000000, 0.0017828900000000 ] - [ 0.0003314600000000, 0.0001974800000000, 0.0008947200000000 ] - [ -0.0001030000000000, 0.0000107500000000, 0.0001828200000000 ] - [ -0.0006131400000000, 0.0001923400000000, 0.0012274500000000 ] - [ 0.0001723100000000, 0.0001738100000000, -0.0003507100000000 ] - [ -0.0133141700000000, -0.0049523300000000, 0.0044118000000000 ] - [ 0.0009128200000000, 0.0037417000000000, -0.0005889900000000 ] - [ 0.0034930200000000, -0.0054226100000000, 0.0009716700000000 ] - [ -0.0007858800000000, 0.0031326300000000, -0.0017819400000000 ] - [ 0.0002184800000000, -0.0009416600000000, 0.0002254900000000 ] - [ 0.0001307100000000, 0.0008778500000000, 0.0009038500000000 ] - [ -0.0016737900000000, -0.0048015200000000, -0.0004786600000000 ] - [ 0.0003036900000000, 0.0023795200000000, -0.0004257000000000 ] - [ 0.0003513000000000, -0.0009415600000000, -0.0002784700000000 ] - [ -0.0000613700000000, 0.0013474400000000, 0.0007937400000000 ] - [ -0.0009866400000000, 0.0011670700000000, -0.0018259800000000 ] - [ 0.0008735800000000, 0.0011100500000000, -0.0001282400000000 ] - [ -0.0002213700000000, 0.0025296300000000, -0.0024908100000000 ] - [ -0.0005892800000000, 0.0009800400000000, 0.0010828900000000 ] - [ -0.0006445900000000, 0.0003463800000000, 0.0015555800000000 ] - [ -0.0000876000000000, -0.0002504200000000, -0.0003864300000000 ] - [ 0.0003112300000000, -0.0003275700000000, 0.0009463800000000 ] - [ 0.0002402100000000, 0.0004081000000000, 0.0005036600000000 ] - [ 0.0008987800000000, -0.0001609600000000, -0.0039016400000000 ] - [ 0.0011388500000000, 0.0010877500000000, 0.0014436400000000 ] - [ -0.0014992900000000, -0.0069407400000000, -0.0004946500000000 ] - [ 0.0001172800000000, 0.0035620500000000, -0.0003844800000000 ] - [ 0.0005240100000000, -0.0030928200000000, 0.0005651000000000 ] - [ -0.0001345800000000, 0.0027557000000000, -0.0009168900000000 ] - [ -0.0001031000000000, -0.0010048900000000, 0.0002061000000000 ] - [ 0.0007110500000000, 0.0028406400000000, 0.0021720700000000 ] - [ 0.0020755500000000, -0.0079933300000000, 0.0096207200000000 ] - [ -0.0000152900000000, 0.0043632700000000, -0.0012899500000000 ] - [ 0.0000131400000000, -0.0010067700000000, 0.0006984600000000 ] - [ -0.0000901000000000, 0.0009357700000000, 0.0007536800000000 ] - [ 0.0163745800000000, 0.0080490300000000, 0.0035003000000000 ] - [ -0.0018038200000000, 0.0037044300000000, -0.0008345600000000 ] - [ -0.0091004500000000, 0.0026067400000000, 0.0073236100000000 ] - [ 0.0012515600000000, 0.0011533600000000, -0.0015346400000000 ] - [ 0.0004589200000000, -0.0002971400000000, 0.0028584300000000 ] - [ -0.0002406800000000, -0.0003139100000000, -0.0006532200000000 ] - [ -0.0004566200000000, 0.0001989600000000, 0.0014566800000000 ] - [ -0.0000963400000000, -0.0001014300000000, 0.0001826600000000 ]- atom: 35 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0000406800000000, -0.0023403200000000, 0.0028101800000000 ] - [ -0.0000288400000000, 0.0011707500000000, -0.0000531700000000 ] - [ -0.0030207700000000, -0.0027907600000000, 0.0053984500000000 ] - [ 0.0005728500000000, 0.0032175400000000, -0.0018073900000000 ] - [ 0.0066768800000000, -0.0104569300000000, -0.0052658000000000 ] - [ -0.0043813000000000, 0.0077077800000000, -0.0016354900000000 ] - [ -0.0018461400000000, -0.0044374000000000, -0.0031506700000000 ] - [ 0.0025200200000000, 0.0041197000000000, 0.0015417700000000 ] - [ 0.0001288800000000, -0.0011688400000000, 0.0014376100000000 ] - [ 0.0001274600000000, 0.0004211500000000, 0.0007924700000000 ] - [ 0.0019749000000000, -0.0016577500000000, 0.0029681900000000 ] - [ 0.0000333600000000, 0.0023284100000000, -0.0007506300000000 ] - [ 0.0073740600000000, -0.0148566700000000, 0.0018520500000000 ] - [ 0.0019184700000000, 0.0081064600000000, -0.0001896000000000 ] - [ 0.0005289200000000, -0.0023559500000000, -0.0016842600000000 ] - [ -0.0014588800000000, 0.0041749800000000, 0.0024537700000000 ] - [ 0.0010573300000000, -0.0095666200000000, -0.0021312500000000 ] - [ 0.0021395000000000, 0.0098873800000000, -0.0065615800000000 ] - [ 0.0044209800000000, -0.0718062400000000, -0.0187193300000000 ] - [ -0.0023151500000000, 0.0141786000000000, -0.0070085700000000 ] - [ 0.0002037500000000, -0.0013076500000000, 0.0013163500000000 ] - [ 0.0002690700000000, 0.0012054000000000, 0.0012048600000000 ] - [ -0.0010543600000000, -0.0023500600000000, -0.0017098100000000 ] - [ -0.0004102600000000, 0.0024947100000000, 0.0014833500000000 ] - [ 0.0028499000000000, -0.0064084300000000, -0.0018317400000000 ] - [ -0.0009335300000000, 0.0060272500000000, -0.0001338000000000 ] - [ -0.0036732000000000, -0.0043051900000000, 0.0004068400000000 ] - [ -0.0000784300000000, 0.0033573700000000, -0.0022643200000000 ] - [ -0.0000724400000000, -0.0068764900000000, -0.0012377500000000 ] - [ 0.0023855200000000, 0.0067440900000000, 0.0067395500000000 ] - [ -0.0002380500000000, -0.0014170100000000, 0.0022499200000000 ] - [ -0.0004472400000000, 0.0018469700000000, 0.0016342600000000 ] - [ 0.0008220100000000, 0.0066579600000000, -0.0015606100000000 ] - [ 0.0001287300000000, -0.0040890400000000, 0.0014073400000000 ] - [ -0.0223263700000000, 0.1493038300000000, 0.0581589100000000 ] - [ 0.0001586700000000, -0.0065719600000000, -0.0004276100000000 ] - [ 0.0001336000000000, 0.0009118400000000, -0.0007846800000000 ] - [ 0.0001553600000000, -0.0005811700000000, -0.0002022300000000 ] - [ 0.0001687000000000, 0.0024844000000000, -0.0001353600000000 ] - [ 0.0010261100000000, -0.0025779900000000, -0.0006926300000000 ] - [ -0.0019712100000000, -0.0087399000000000, -0.0076174900000000 ] - [ -0.0002871100000000, 0.0000220100000000, 0.0026766000000000 ] - [ -0.0021783100000000, -0.0042088700000000, 0.0068097900000000 ] - [ 0.0071449500000000, -0.0196931400000000, -0.0198483600000000 ] - [ 0.0060775400000000, -0.0155339100000000, 0.0130827600000000 ] - [ -0.0062531900000000, -0.0200086600000000, -0.0011872900000000 ] - [ -0.0005042300000000, -0.0004200600000000, -0.0008409700000000 ] - [ -0.0000586200000000, -0.0002189200000000, -0.0001150300000000 ] - [ 0.0006563700000000, 0.0001147900000000, -0.0012639800000000 ] - [ -0.0001335300000000, 0.0001162200000000, 0.0003281600000000 ] - [ 0.0133116500000000, 0.0050820100000000, -0.0042864400000000 ] - [ -0.0009686700000000, -0.0037817000000000, 0.0007083700000000 ] - [ -0.0039762500000000, 0.0051069200000000, -0.0014196200000000 ] - [ 0.0004501100000000, -0.0034437400000000, 0.0014460500000000 ] - [ -0.0000723600000000, 0.0010380600000000, -0.0003518000000000 ] - [ 0.0000177700000000, -0.0007988400000000, -0.0010199100000000 ] - [ 0.0015092900000000, 0.0047899700000000, 0.0005451500000000 ] - [ -0.0004752600000000, -0.0024206900000000, 0.0004987000000000 ] - [ -0.0001749700000000, 0.0011150500000000, -0.0002208000000000 ] - [ 0.0002385300000000, -0.0011940500000000, -0.0013047600000000 ] - [ 0.0008222800000000, -0.0009945800000000, 0.0023415400000000 ] - [ -0.0010553300000000, -0.0009773100000000, 0.0006363400000000 ] - [ 0.0003935700000000, -0.0025884600000000, 0.0024403000000000 ] - [ 0.0007593900000000, -0.0009948400000000, -0.0011642500000000 ] - [ 0.0004914500000000, -0.0002753200000000, -0.0014525400000000 ] - [ -0.0000631000000000, 0.0003460600000000, 0.0005115800000000 ] - [ 0.0000372000000000, 0.0000453900000000, -0.0005922400000000 ] - [ 0.0001079700000000, -0.0007053400000000, -0.0001507100000000 ] - [ -0.0008424300000000, 0.0001439300000000, 0.0038253300000000 ] - [ -0.0010914500000000, -0.0010997500000000, -0.0015873400000000 ] - [ 0.0015140500000000, 0.0072839200000000, 0.0005385400000000 ] - [ -0.0001540900000000, -0.0032913800000000, 0.0004149700000000 ] - [ -0.0003632300000000, 0.0029065100000000, -0.0006445700000000 ] - [ 0.0003032700000000, -0.0029928000000000, 0.0008598100000000 ] - [ 0.0000127200000000, 0.0012952800000000, -0.0006920600000000 ] - [ -0.0008126300000000, -0.0025901700000000, -0.0026991600000000 ] - [ -0.0019213300000000, 0.0082777300000000, -0.0092438700000000 ] - [ 0.0001677100000000, -0.0042330700000000, 0.0015564700000000 ] - [ 0.0001311700000000, 0.0010383400000000, -0.0010783000000000 ] - [ 0.0002332700000000, -0.0009225600000000, -0.0011307000000000 ] - [ -0.0161186500000000, -0.0080665700000000, -0.0039027400000000 ] - [ 0.0022881800000000, -0.0036979800000000, 0.0004566300000000 ] - [ 0.0090330700000000, -0.0026307800000000, -0.0074021100000000 ] - [ -0.0013152000000000, -0.0011290100000000, 0.0014488700000000 ] - [ -0.0005509600000000, 0.0005896000000000, -0.0027713500000000 ] - [ 0.0001500100000000, 0.0005726000000000, 0.0007673900000000 ] - [ 0.0002050200000000, -0.0004854900000000, -0.0015540300000000 ] - [ -0.0001638500000000, -0.0001706300000000, -0.0002685300000000 ]- atom: 35 displacement: [ -0.0014701282124378, 0.0000000000000000, 0.0098913458659069 ] forces: - [ -0.0001186000000000, 0.0022656400000000, -0.0078821400000000 ] - [ -0.0001354800000000, -0.0007062300000000, -0.0015668500000000 ] - [ 0.0024196600000000, -0.0015696500000000, -0.0037608600000000 ] - [ 0.0008122100000000, 0.0016107200000000, -0.0009147200000000 ] - [ 0.0014024300000000, 0.0043056800000000, 0.0131469500000000 ] - [ 0.0009614300000000, -0.0023283500000000, 0.0025512100000000 ] - [ -0.0023819900000000, 0.0054740300000000, -0.0002356800000000 ] - [ -0.0040377600000000, -0.0051508100000000, 0.0014327600000000 ] - [ -0.0002777500000000, 0.0008151000000000, -0.0037100500000000 ] - [ 0.0001251200000000, -0.0006062900000000, -0.0018027100000000 ] - [ -0.0031898800000000, -0.0026493100000000, -0.0040965800000000 ] - [ -0.0003031800000000, 0.0012434100000000, -0.0016054200000000 ] - [ 0.0076760200000000, -0.0029604800000000, 0.0193552700000000 ] - [ -0.0006146700000000, -0.0020012100000000, 0.0012038100000000 ] - [ 0.0026202900000000, 0.0047490300000000, -0.0023708700000000 ] - [ 0.0034084500000000, -0.0059783300000000, -0.0026555600000000 ] - [ -0.0000056000000000, 0.0004822100000000, 0.0349935800000000 ] - [ -0.0006294500000000, -0.0025452700000000, 0.0051024700000000 ] - [ -0.0035353400000000, 0.0210619800000000, 0.0244730100000000 ] - [ 0.0015305500000000, -0.0001093500000000, 0.0083531400000000 ] - [ -0.0008258300000000, 0.0004818900000000, -0.0043137600000000 ] - [ -0.0005572100000000, -0.0017904600000000, -0.0042607100000000 ] - [ -0.0004581000000000, 0.0012404000000000, -0.0039779800000000 ] - [ 0.0004021200000000, -0.0011755900000000, -0.0019535800000000 ] - [ 0.0008912500000000, -0.0004160900000000, 0.0052285000000000 ] - [ -0.0008434800000000, 0.0006088300000000, 0.0045178100000000 ] - [ 0.0035610500000000, 0.0005486700000000, 0.0039787000000000 ] - [ 0.0003762000000000, -0.0018772000000000, 0.0032169000000000 ] - [ 0.0020577600000000, 0.0067359600000000, -0.0088282200000000 ] - [ -0.0007970100000000, -0.0028456900000000, -0.0029872200000000 ] - [ 0.0010391100000000, -0.0001244400000000, -0.0059763800000000 ] - [ 0.0002918700000000, -0.0010307900000000, -0.0054276100000000 ] - [ 0.0006807400000000, -0.0065981300000000, 0.0108604400000000 ] - [ 0.0002408200000000, 0.0031984200000000, -0.0009171100000000 ] - [ -0.0128523200000000, -0.0602352600000000, -0.1350779300000000 ] - [ -0.0002220400000000, 0.0005215000000000, -0.0019531400000000 ] - [ -0.0001794700000000, -0.0013394000000000, 0.0022922900000000 ] - [ -0.0001461000000000, 0.0001118700000000, 0.0013823700000000 ] - [ -0.0016596600000000, -0.0006446700000000, 0.0014491300000000 ] - [ -0.0005975200000000, 0.0002085500000000, 0.0006952700000000 ] - [ 0.0040051600000000, 0.0180516800000000, 0.0192967900000000 ] - [ -0.0000001700000000, -0.0018734000000000, -0.0007255500000000 ] - [ -0.0021045200000000, -0.0070715700000000, 0.0016915600000000 ] - [ -0.0022561000000000, 0.0058187000000000, 0.0059058700000000 ] - [ -0.0015429600000000, 0.0030606900000000, -0.0099249500000000 ] - [ 0.0029528800000000, 0.0096408900000000, -0.0088455400000000 ] - [ 0.0016503200000000, 0.0012269300000000, 0.0026776500000000 ] - [ 0.0001872200000000, 0.0003928000000000, 0.0009445000000000 ] - [ 0.0000174600000000, 0.0007239400000000, 0.0020108500000000 ] - [ -0.0000334800000000, -0.0009343700000000, 0.0020602100000000 ] - [ -0.0106850600000000, 0.0034919700000000, 0.0012364900000000 ] - [ 0.0002345500000000, -0.0002130000000000, -0.0012967700000000 ] - [ 0.0139653000000000, -0.0001395300000000, 0.0002056400000000 ] - [ -0.0002050300000000, 0.0013712300000000, -0.0021014600000000 ] - [ 0.0009236600000000, -0.0012209200000000, 0.0026736100000000 ] - [ 0.0003764100000000, 0.0006017900000000, 0.0016562100000000 ] - [ 0.0014167200000000, 0.0007683900000000, 0.0014426600000000 ] - [ 0.0000076800000000, 0.0002284200000000, -0.0001620300000000 ] - [ 0.0002862300000000, 0.0006157200000000, 0.0025007200000000 ] - [ 0.0001157600000000, 0.0009281300000000, 0.0016650100000000 ] - [ -0.0000278500000000, 0.0012901600000000, -0.0030685100000000 ] - [ -0.0002345700000000, 0.0014743600000000, -0.0043364900000000 ] - [ 0.0014648700000000, -0.0026819300000000, 0.0001454000000000 ] - [ -0.0005498100000000, 0.0014371900000000, -0.0000352100000000 ] - [ -0.0004869900000000, 0.0005516700000000, 0.0019926200000000 ] - [ -0.0000587900000000, -0.0011792900000000, 0.0001134000000000 ] - [ 0.0002639200000000, 0.0002690800000000, 0.0023137100000000 ] - [ 0.0002927200000000, 0.0003076800000000, 0.0020713900000000 ] - [ 0.0009221100000000, -0.0019327100000000, 0.0026575100000000 ] - [ 0.0003968100000000, 0.0009263300000000, 0.0003968500000000 ] - [ 0.0005842300000000, -0.0004831000000000, -0.0066697400000000 ] - [ 0.0001698000000000, 0.0000948700000000, -0.0017106700000000 ] - [ -0.0000668000000000, -0.0019325400000000, 0.0003788800000000 ] - [ -0.0003072000000000, 0.0024067600000000, -0.0013341700000000 ] - [ 0.0003024800000000, 0.0013128700000000, 0.0044934800000000 ] - [ 0.0001230800000000, 0.0014678200000000, 0.0021528700000000 ] - [ 0.0021027200000000, 0.0035806400000000, 0.0245378000000000 ] - [ 0.0001092700000000, 0.0006372700000000, -0.0005368000000000 ] - [ -0.0007996300000000, -0.0011227800000000, 0.0028808100000000 ] - [ -0.0002050700000000, 0.0006807800000000, 0.0020439800000000 ] - [ 0.0053944800000000, 0.0030459700000000, -0.0016221900000000 ] - [ -0.0002203700000000, -0.0031829400000000, -0.0025048500000000 ] - [ -0.0128091700000000, 0.0077587400000000, 0.0051918100000000 ] - [ 0.0000809500000000, -0.0003422800000000, -0.0014238300000000 ] - [ 0.0000233000000000, 0.0008021200000000, 0.0030528700000000 ] - [ -0.0001588600000000, -0.0025743400000000, 0.0030209500000000 ] - [ -0.0014770200000000, 0.0008877700000000, 0.0031324700000000 ] - [ -0.0002693000000000, 0.0000504700000000, 0.0017956700000000 ]- atom: 35 displacement: [ 0.0014701282124378, 0.0000000000000000, -0.0098913458659069 ] forces: - [ 0.0000799400000000, -0.0023997200000000, 0.0079165600000000 ] - [ 0.0000992300000000, 0.0005422400000000, 0.0016730800000000 ] - [ -0.0022276000000000, 0.0020379000000000, 0.0039880800000000 ] - [ -0.0006236900000000, -0.0011593600000000, 0.0011699800000000 ] - [ -0.0010792700000000, -0.0042010300000000, -0.0132966000000000 ] - [ -0.0008259400000000, 0.0022759500000000, -0.0026444200000000 ] - [ 0.0022761300000000, -0.0058664100000000, -0.0000208700000000 ] - [ 0.0039201800000000, 0.0046674100000000, -0.0016733200000000 ] - [ 0.0003570500000000, -0.0012454300000000, 0.0039704800000000 ] - [ -0.0000456800000000, 0.0001707900000000, 0.0020726700000000 ] - [ 0.0030907500000000, 0.0026329500000000, 0.0041834900000000 ] - [ 0.0001867500000000, -0.0012669500000000, 0.0017033100000000 ] - [ -0.0083890900000000, 0.0036734500000000, -0.0198734300000000 ] - [ 0.0004122700000000, 0.0024197200000000, -0.0014719100000000 ] - [ -0.0025499600000000, -0.0048567900000000, 0.0022568600000000 ] - [ -0.0033347200000000, 0.0057648600000000, 0.0025328400000000 ] - [ 0.0008101100000000, 0.0006745400000000, -0.0324511000000000 ] - [ 0.0009357900000000, 0.0024740800000000, -0.0050535700000000 ] - [ 0.0034736400000000, -0.0221241900000000, -0.0246279800000000 ] - [ -0.0016901000000000, -0.0000168900000000, -0.0084506200000000 ] - [ 0.0009884000000000, -0.0008323100000000, 0.0044428300000000 ] - [ 0.0007179800000000, 0.0014071200000000, 0.0043836600000000 ] - [ 0.0005653700000000, -0.0010643400000000, 0.0035316300000000 ] - [ -0.0002834500000000, 0.0013453900000000, 0.0015141200000000 ] - [ -0.0010367500000000, 0.0005846800000000, -0.0047915300000000 ] - [ 0.0007229000000000, -0.0004352700000000, -0.0040772600000000 ] - [ -0.0036803800000000, -0.0008825600000000, -0.0040845000000000 ] - [ -0.0005408900000000, 0.0014974400000000, -0.0033389400000000 ] - [ -0.0018910700000000, -0.0069118900000000, 0.0089069600000000 ] - [ 0.0009463200000000, 0.0026756500000000, 0.0030200900000000 ] - [ -0.0013500300000000, 0.0000971900000000, 0.0059594100000000 ] - [ -0.0005995500000000, 0.0009664000000000, 0.0054022400000000 ] - [ -0.0004147600000000, 0.0062061300000000, -0.0106214100000000 ] - [ 0.0000188200000000, -0.0034409000000000, 0.0009825200000000 ] - [ 0.0126584500000000, 0.0594837300000000, 0.1325440100000000 ] - [ 0.0003089000000000, -0.0002466700000000, 0.0018215900000000 ] - [ 0.0002261600000000, 0.0013479900000000, -0.0021690800000000 ] - [ 0.0001906200000000, -0.0000842000000000, -0.0012670000000000 ] - [ 0.0011644200000000, 0.0006789600000000, -0.0010673700000000 ] - [ 0.0000866500000000, -0.0001606000000000, -0.0003108400000000 ] - [ -0.0040942300000000, -0.0177452300000000, -0.0185857200000000 ] - [ -0.0001398600000000, 0.0018744700000000, 0.0010817900000000 ] - [ 0.0019588700000000, 0.0072702100000000, -0.0019725500000000 ] - [ 0.0020542900000000, -0.0055129300000000, -0.0060660500000000 ] - [ 0.0016267800000000, -0.0027159400000000, 0.0103987500000000 ] - [ -0.0028738600000000, -0.0094024600000000, 0.0092158200000000 ] - [ -0.0017932500000000, -0.0014247800000000, -0.0025844800000000 ] - [ -0.0003492700000000, -0.0006049600000000, -0.0008721400000000 ] - [ 0.0000102600000000, -0.0004295900000000, -0.0020150400000000 ] - [ 0.0000703700000000, 0.0012274600000000, -0.0020648200000000 ] - [ 0.0106172900000000, -0.0035298100000000, -0.0010663100000000 ] - [ -0.0002990000000000, 0.0002070600000000, 0.0014215200000000 ] - [ -0.0141825300000000, -0.0001754300000000, -0.0006334600000000 ] - [ -0.0001476400000000, -0.0016449500000000, 0.0017202200000000 ] - [ -0.0007636800000000, 0.0012938700000000, -0.0027736900000000 ] - [ -0.0002226000000000, -0.0005101600000000, -0.0017641900000000 ] - [ -0.0015786100000000, -0.0007862900000000, -0.0013431700000000 ] - [ -0.0001727500000000, -0.0002483100000000, 0.0002439500000000 ] - [ -0.0001122600000000, -0.0004427500000000, -0.0029772500000000 ] - [ 0.0000602600000000, -0.0007517100000000, -0.0021440800000000 ] - [ -0.0001479700000000, -0.0011109700000000, 0.0035367600000000 ] - [ 0.0000507900000000, -0.0012960700000000, 0.0048026000000000 ] - [ -0.0013199400000000, 0.0026391800000000, -0.0001996900000000 ] - [ 0.0007176400000000, -0.0014485400000000, -0.0000278600000000 ] - [ 0.0003324900000000, -0.0004656900000000, -0.0018687600000000 ] - [ -0.0000924800000000, 0.0012527900000000, -0.0000025000000000 ] - [ 0.0000848800000000, -0.0005585000000000, -0.0019433100000000 ] - [ 0.0000568800000000, -0.0005883800000000, -0.0016956200000000 ] - [ -0.0008748200000000, 0.0019120200000000, -0.0027278900000000 ] - [ -0.0003263000000000, -0.0009371300000000, -0.0005047500000000 ] - [ -0.0005892300000000, 0.0007713000000000, 0.0066560500000000 ] - [ -0.0002036700000000, 0.0002072400000000, 0.0017183500000000 ] - [ 0.0002266900000000, 0.0017081700000000, -0.0004508900000000 ] - [ 0.0004649100000000, -0.0025920500000000, 0.0012516300000000 ] - [ -0.0003966300000000, -0.0010246400000000, -0.0049822700000000 ] - [ -0.0002110300000000, -0.0011635800000000, -0.0026188200000000 ] - [ -0.0019779900000000, -0.0035185900000000, -0.0246024800000000 ] - [ 0.0000493400000000, -0.0004656800000000, 0.0008145300000000 ] - [ 0.0009325600000000, 0.0011329800000000, -0.0032332100000000 ] - [ 0.0003448800000000, -0.0006506500000000, -0.0023992200000000 ] - [ -0.0048180300000000, -0.0029375000000000, 0.0012839900000000 ] - [ 0.0007277300000000, 0.0032046100000000, 0.0021244900000000 ] - [ 0.0125714200000000, -0.0076291900000000, -0.0052723100000000 ] - [ -0.0001230600000000, 0.0003658100000000, 0.0013016200000000 ] - [ -0.0001044200000000, -0.0005461300000000, -0.0029123600000000 ] - [ 0.0000710300000000, 0.0028452400000000, -0.0028912100000000 ] - [ 0.0012015500000000, -0.0011520200000000, -0.0031895900000000 ] - [ 0.0000103000000000, -0.0003308400000000, -0.0018711000000000 ]- atom: 37 displacement: [ 0.0099999999959232, 0.0000000000000000, 0.0000002855446085 ] forces: - [ 0.0190259500000000, 0.0000690700000000, 0.0003041300000000 ] - [ 0.0081687500000000, 0.0004911000000000, 0.0017759500000000 ] - [ 0.0070243900000000, 0.0001384200000000, 0.0004108600000000 ] - [ 0.0012171100000000, 0.0003108800000000, 0.0000355500000000 ] - [ 0.0004856200000000, -0.0001109600000000, 0.0001344100000000 ] - [ 0.0005372300000000, 0.0000622600000000, 0.0000346900000000 ] - [ 0.0000662100000000, 0.0019412800000000, 0.0066340700000000 ] - [ -0.0000006600000000, -0.0001180500000000, 0.0003928700000000 ] - [ -0.0105616500000000, 0.0003955000000000, 0.0001231300000000 ] - [ -0.0078241300000000, -0.0000929000000000, 0.0006346500000000 ] - [ -0.0071218800000000, -0.0001644600000000, 0.0002276100000000 ] - [ -0.0013548400000000, 0.0001636800000000, -0.0000746600000000 ] - [ -0.0008163600000000, 0.0002046800000000, -0.0001300500000000 ] - [ -0.0006113000000000, 0.0002096300000000, -0.0002338200000000 ] - [ -0.0000796400000000, -0.0025962400000000, -0.0082529400000000 ] - [ -0.0000578100000000, 0.0003228100000000, -0.0005393900000000 ] - [ 0.0009527900000000, -0.0000366000000000, -0.0000943400000000 ] - [ 0.0008932000000000, -0.0001016700000000, 0.0003771700000000 ] - [ 0.0000922900000000, -0.0002065300000000, 0.0009073800000000 ] - [ -0.0000498600000000, 0.0000804300000000, 0.0004245000000000 ] - [ 0.0574638400000000, -0.0124996100000000, -0.0129013700000000 ] - [ -0.0000604300000000, -0.0003920500000000, -0.0000205100000000 ] - [ 0.0023681900000000, -0.0046877800000000, -0.0065497600000000 ] - [ -0.0007136000000000, 0.0048553000000000, -0.0032552100000000 ] - [ -0.0001371900000000, -0.0001029900000000, -0.0003233100000000 ] - [ -0.0000679700000000, 0.0000498000000000, -0.0001672000000000 ] - [ -0.0011165600000000, 0.0001785800000000, -0.0002698300000000 ] - [ -0.0008462500000000, -0.0001270600000000, -0.0000570300000000 ] - [ 0.0025245700000000, 0.0051612500000000, 0.0070063600000000 ] - [ -0.0008095300000000, -0.0055237000000000, 0.0027659500000000 ] - [ 0.0484836500000000, 0.0097889900000000, 0.0068546800000000 ] - [ 0.0000308600000000, 0.0007478400000000, -0.0002739300000000 ] - [ -0.0030195400000000, -0.0005195000000000, 0.0003024400000000 ] - [ -0.0000328400000000, -0.0003300000000000, -0.0004274900000000 ] - [ -0.0000151700000000, 0.0000275700000000, -0.0002632900000000 ] - [ -0.0000490200000000, 0.0000009000000000, -0.0002422800000000 ] - [ -0.2323006400000000, 0.0076045200000000, 0.0034782300000000 ] - [ -0.0009521300000000, -0.0002904800000000, 0.0001299200000000 ] - [ -0.0041349000000000, -0.0000897400000000, 0.0001766200000000 ] - [ -0.0023979700000000, 0.0001031500000000, 0.0002814100000000 ] - [ -0.0001837800000000, -0.0003345600000000, 0.0004958000000000 ] - [ -0.0022324600000000, -0.0001681600000000, -0.0003760500000000 ] - [ -0.0004309400000000, -0.0005602700000000, -0.0011717600000000 ] - [ -0.0003395800000000, 0.0000775600000000, -0.0013140100000000 ] - [ -0.0003240700000000, 0.0001569700000000, -0.0003459000000000 ] - [ -0.0001083400000000, 0.0002126500000000, 0.0001126900000000 ] - [ 0.0000515200000000, 0.0016615400000000, -0.0004970800000000 ] - [ -0.0005959700000000, -0.0202188000000000, -0.0066672800000000 ] - [ 0.0040591600000000, -0.0075995600000000, 0.0110621800000000 ] - [ -0.0001975200000000, 0.0010555600000000, 0.0001055200000000 ] - [ -0.0003295400000000, 0.0000000500000000, -0.0000172900000000 ] - [ -0.0002763800000000, -0.0000472900000000, 0.0000655800000000 ] - [ -0.0002710400000000, 0.0003591000000000, -0.0006662100000000 ] - [ -0.0001862200000000, -0.0000970100000000, -0.0002272600000000 ] - [ 0.0130191700000000, 0.0088480600000000, -0.0196118700000000 ] - [ 0.0002139800000000, -0.0006186400000000, -0.0006349500000000 ] - [ 0.0003529800000000, -0.0004102700000000, 0.0011474000000000 ] - [ 0.0003261600000000, -0.0006497500000000, 0.0009165700000000 ] - [ 0.0102938200000000, 0.0090396700000000, 0.0105768600000000 ] - [ 0.0009762300000000, -0.0008989200000000, -0.0000114200000000 ] - [ 0.0001332400000000, -0.0000853000000000, 0.0001205500000000 ] - [ -0.0000602800000000, -0.0000048300000000, 0.0003640100000000 ] - [ -0.0001571500000000, 0.0003959900000000, 0.0006884100000000 ] - [ -0.0002085900000000, 0.0000283900000000, 0.0009317200000000 ] - [ 0.0006628400000000, 0.0000744000000000, 0.0000512100000000 ] - [ 0.0020653100000000, -0.0002044200000000, -0.0002038000000000 ] - [ 0.0565377500000000, 0.0017924400000000, 0.0022426700000000 ] - [ 0.0010329600000000, -0.0003560400000000, 0.0002173800000000 ] - [ 0.0024116900000000, -0.0001398500000000, -0.0000875100000000 ] - [ 0.0023719900000000, 0.0000371800000000, -0.0000477800000000 ] - [ 0.0000539200000000, 0.0003189800000000, 0.0002124700000000 ] - [ 0.0000663700000000, 0.0002234300000000, 0.0001146500000000 ] - [ 0.0030565000000000, -0.0005626700000000, 0.0006566000000000 ] - [ 0.0003406500000000, -0.0001392200000000, -0.0000421700000000 ] - [ 0.0095033400000000, -0.0093526600000000, -0.0122348300000000 ] - [ 0.0006387900000000, 0.0009262700000000, 0.0001321000000000 ] - [ 0.0005683400000000, 0.0006251700000000, -0.0012186800000000 ] - [ 0.0005575600000000, 0.0008051300000000, -0.0006989200000000 ] - [ 0.0166850200000000, -0.0104488300000000, 0.0181736800000000 ] - [ 0.0002095700000000, 0.0001288400000000, 0.0000293400000000 ] - [ 0.0006020200000000, 0.0000238300000000, -0.0001781100000000 ] - [ 0.0005329900000000, -0.0000004600000000, -0.0001866600000000 ] - [ -0.0000071300000000, 0.0000230300000000, 0.0001038100000000 ] - [ -0.0000160600000000, 0.0010955600000000, 0.0007138100000000 ] - [ 0.0039584800000000, 0.0091884600000000, -0.0121362500000000 ] - [ -0.0003027400000000, -0.0011503400000000, 0.0001203400000000 ] - [ -0.0005097800000000, -0.0017182800000000, 0.0002159200000000 ] - [ 0.0012524500000000, 0.0137506300000000, 0.0096683900000000 ]- atom: 37 displacement: [ -0.0099999999959232, 0.0000000000000000, -0.0000002855446085 ] forces: - [ -0.0190232200000000, -0.0000417800000000, -0.0004166400000000 ] - [ -0.0081907000000000, -0.0006288200000000, -0.0016520100000000 ] - [ -0.0068336700000000, 0.0002573900000000, 0.0000223300000000 ] - [ -0.0010248600000000, 0.0001544900000000, 0.0002367200000000 ] - [ -0.0003647300000000, 0.0000866800000000, -0.0002468600000000 ] - [ -0.0004201100000000, -0.0000876100000000, -0.0001500200000000 ] - [ -0.0000984900000000, -0.0023712700000000, -0.0068710900000000 ] - [ -0.0000495400000000, -0.0002894500000000, -0.0006750900000000 ] - [ 0.0106632600000000, -0.0009316300000000, 0.0001436000000000 ] - [ 0.0078819800000000, -0.0002675200000000, -0.0003284200000000 ] - [ 0.0070131600000000, 0.0001372400000000, -0.0001866800000000 ] - [ 0.0012380100000000, -0.0001838000000000, 0.0001895400000000 ] - [ 0.0006195100000000, 0.0002477200000000, -0.0001491000000000 ] - [ 0.0004172100000000, 0.0002445700000000, -0.0000393900000000 ] - [ 0.0000406700000000, 0.0024302900000000, 0.0081698800000000 ] - [ 0.0000652000000000, -0.0004510600000000, 0.0004240600000000 ] - [ -0.0006411300000000, -0.0000269700000000, 0.0000093700000000 ] - [ -0.0005838300000000, 0.0000629800000000, -0.0003885500000000 ] - [ -0.0002646900000000, 0.0000531000000000, -0.0010049600000000 ] - [ -0.0001228200000000, -0.0002106900000000, -0.0005274600000000 ] - [ -0.0521518400000000, 0.0099970700000000, 0.0127378400000000 ] - [ 0.0002425600000000, 0.0000998100000000, 0.0001911700000000 ] - [ -0.0021646100000000, 0.0048567000000000, 0.0061373800000000 ] - [ 0.0008372900000000, -0.0046799500000000, 0.0028271700000000 ] - [ 0.0000297500000000, 0.0002729400000000, 0.0007406100000000 ] - [ -0.0000446600000000, 0.0001306200000000, 0.0005784100000000 ] - [ 0.0009429100000000, -0.0005653000000000, 0.0001260600000000 ] - [ 0.0006775900000000, -0.0002143000000000, -0.0000862900000000 ] - [ -0.0024491900000000, -0.0053163900000000, -0.0069311200000000 ] - [ 0.0009658900000000, 0.0053893700000000, -0.0026888800000000 ] - [ -0.0539535200000000, -0.0119416300000000, -0.0068090900000000 ] - [ -0.0003585900000000, -0.0007459000000000, 0.0003004700000000 ] - [ 0.0032869700000000, 0.0002748400000000, -0.0001481000000000 ] - [ 0.0002909000000000, 0.0000345200000000, 0.0004979400000000 ] - [ 0.0001039200000000, 0.0002489800000000, 0.0001644400000000 ] - [ 0.0001372500000000, 0.0002644900000000, 0.0001258300000000 ] - [ 0.2326035300000000, -0.0034239800000000, -0.0026384200000000 ] - [ 0.0009992000000000, 0.0002963900000000, -0.0000214500000000 ] - [ 0.0036362300000000, 0.0000763100000000, 0.0001206500000000 ] - [ 0.0018955200000000, -0.0000638500000000, 0.0000907700000000 ] - [ 0.0000150400000000, 0.0002718900000000, 0.0000109200000000 ] - [ 0.0020883900000000, 0.0002074300000000, 0.0007429100000000 ] - [ 0.0002789900000000, 0.0007208400000000, 0.0009068200000000 ] - [ 0.0001855900000000, 0.0000878100000000, 0.0010460800000000 ] - [ 0.0004121500000000, 0.0001294200000000, 0.0008360400000000 ] - [ 0.0001952700000000, 0.0000586100000000, 0.0004059500000000 ] - [ -0.0003048000000000, -0.0019331800000000, 0.0005455600000000 ] - [ 0.0002597300000000, 0.0197576900000000, 0.0066363000000000 ] - [ -0.0041252200000000, 0.0078925100000000, -0.0110107300000000 ] - [ 0.0002255600000000, -0.0007610700000000, -0.0001356100000000 ] - [ 0.0002634700000000, -0.0000095800000000, 0.0001295700000000 ] - [ 0.0002093600000000, 0.0000339200000000, 0.0000586500000000 ] - [ -0.0000969200000000, -0.0006357100000000, 0.0003054700000000 ] - [ -0.0001662800000000, -0.0001961600000000, -0.0001328000000000 ] - [ -0.0128494200000000, -0.0086128300000000, 0.0191735400000000 ] - [ -0.0000687700000000, 0.0006689200000000, 0.0005158500000000 ] - [ -0.0005325500000000, 0.0003928600000000, -0.0010674800000000 ] - [ -0.0004954900000000, 0.0006244600000000, -0.0008394600000000 ] - [ -0.0100864900000000, -0.0087378900000000, -0.0109576700000000 ] - [ -0.0008052100000000, 0.0010470300000000, -0.0004830500000000 ] - [ -0.0003100400000000, 0.0002520200000000, 0.0003697700000000 ] - [ -0.0001194800000000, 0.0001707400000000, 0.0001337300000000 ] - [ 0.0003179200000000, -0.0004190500000000, -0.0007610900000000 ] - [ 0.0003695700000000, -0.0000458400000000, -0.0010065300000000 ] - [ -0.0008153100000000, 0.0000230800000000, 0.0000601000000000 ] - [ -0.0022140000000000, 0.0002809600000000, 0.0002931900000000 ] - [ -0.0562428000000000, -0.0021788000000000, -0.0017825900000000 ] - [ -0.0006867300000000, 0.0000717100000000, 0.0001389600000000 ] - [ -0.0023483700000000, 0.0001333100000000, -0.0000310500000000 ] - [ -0.0023099000000000, -0.0000550800000000, -0.0000697900000000 ] - [ -0.0000915400000000, -0.0000166100000000, -0.0001905400000000 ] - [ -0.0001037500000000, 0.0000719500000000, -0.0000956400000000 ] - [ -0.0028951500000000, 0.0003635700000000, -0.0007527400000000 ] - [ -0.0001771200000000, -0.0000867400000000, -0.0000228300000000 ] - [ -0.0096263700000000, 0.0097884700000000, 0.0118702000000000 ] - [ -0.0007259400000000, -0.0006567100000000, -0.0006239500000000 ] - [ -0.0004005700000000, -0.0004618400000000, 0.0014991100000000 ] - [ -0.0003990800000000, -0.0006495700000000, 0.0009760100000000 ] - [ -0.0166440700000000, 0.0106705700000000, -0.0189028700000000 ] - [ -0.0000645200000000, -0.0001408000000000, -0.0003974000000000 ] - [ -0.0000979900000000, 0.0000177100000000, -0.0001928500000000 ] - [ -0.0000281700000000, 0.0000390500000000, -0.0001837500000000 ] - [ -0.0000163100000000, 0.0000025200000000, -0.0002048300000000 ] - [ -0.0000252300000000, -0.0010780900000000, -0.0008259600000000 ] - [ -0.0039405800000000, -0.0089446100000000, 0.0123476900000000 ] - [ 0.0002234400000000, 0.0014162500000000, -0.0000076700000000 ] - [ 0.0003112900000000, 0.0014042000000000, -0.0003099600000000 ] - [ -0.0013898900000000, -0.0141539500000000, -0.0098881900000000 ]- atom: 37 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0024112900000000, 0.0095638000000000, -0.0001813500000000 ] - [ -0.0008198100000000, -0.0066020800000000, -0.0032844700000000 ] - [ 0.0001004700000000, 0.0049324700000000, 0.0037431000000000 ] - [ 0.0000917600000000, -0.0016409300000000, -0.0001772500000000 ] - [ -0.0002216200000000, 0.0002175800000000, 0.0000491000000000 ] - [ 0.0000224700000000, -0.0003099900000000, 0.0005105700000000 ] - [ -0.0007327500000000, 0.0020504800000000, -0.0011750600000000 ] - [ -0.0016311200000000, -0.0027201800000000, 0.0002892200000000 ] - [ -0.0006227800000000, 0.0014123600000000, 0.0006053600000000 ] - [ 0.0009247700000000, -0.0053263400000000, -0.0021579700000000 ] - [ -0.0000757800000000, 0.0052807300000000, 0.0027715700000000 ] - [ -0.0000731600000000, -0.0018688300000000, -0.0002094300000000 ] - [ 0.0001106400000000, 0.0004753600000000, 0.0000859900000000 ] - [ -0.0000849400000000, -0.0000526900000000, 0.0008368100000000 ] - [ 0.0002794500000000, 0.0041659800000000, -0.0029254700000000 ] - [ 0.0015126800000000, -0.0030008000000000, 0.0003769900000000 ] - [ 0.0004285900000000, 0.0015091200000000, 0.0048180400000000 ] - [ 0.0002695400000000, -0.0008462700000000, -0.0008922500000000 ] - [ -0.0002971500000000, 0.0014946700000000, 0.0008875200000000 ] - [ 0.0003187200000000, -0.0017207600000000, 0.0009222100000000 ] - [ -0.0312139700000000, 0.0294302200000000, 0.0021671500000000 ] - [ -0.0006358400000000, -0.0072420200000000, -0.0013098600000000 ] - [ -0.0024736700000000, -0.0007681300000000, -0.0035781400000000 ] - [ 0.0005376000000000, -0.0046377300000000, 0.0023761700000000 ] - [ 0.0000672900000000, 0.0012844200000000, 0.0008419600000000 ] - [ -0.0002361600000000, -0.0011176000000000, 0.0006773800000000 ] - [ 0.0001685700000000, 0.0006342900000000, 0.0005958100000000 ] - [ -0.0000984900000000, -0.0015526200000000, -0.0009345300000000 ] - [ 0.0023946000000000, -0.0009405800000000, -0.0028307100000000 ] - [ -0.0004407800000000, -0.0048245800000000, 0.0026751300000000 ] - [ 0.0300065900000000, 0.0272794500000000, -0.0023462700000000 ] - [ 0.0004195500000000, -0.0051275300000000, -0.0011825700000000 ] - [ -0.0004742900000000, -0.0035733500000000, -0.0040191000000000 ] - [ 0.0002159200000000, 0.0016292600000000, 0.0008373100000000 ] - [ 0.0000053600000000, -0.0007638100000000, -0.0014292900000000 ] - [ -0.0001086700000000, 0.0007247500000000, 0.0000179200000000 ] - [ 0.0054749500000000, -0.0718734900000000, 0.0121520500000000 ] - [ -0.0002723000000000, 0.0019832900000000, -0.0001429700000000 ] - [ -0.0003795500000000, 0.0002120300000000, 0.0042470700000000 ] - [ -0.0002643900000000, 0.0015007500000000, -0.0005832700000000 ] - [ 0.0014980700000000, 0.0060666400000000, -0.0088832200000000 ] - [ -0.0001187200000000, -0.0003113200000000, 0.0021293500000000 ] - [ -0.0002139100000000, 0.0005493300000000, 0.0000315200000000 ] - [ -0.0001130600000000, -0.0002407600000000, -0.0014065000000000 ] - [ 0.0000664000000000, -0.0002280600000000, 0.0002336600000000 ] - [ 0.0001596100000000, 0.0011009000000000, -0.0015035200000000 ] - [ 0.0054084900000000, 0.0062483200000000, 0.0011184800000000 ] - [ -0.0055069700000000, 0.0072184500000000, 0.0039350800000000 ] - [ -0.0036741400000000, 0.0025267200000000, -0.0069434200000000 ] - [ 0.0002621900000000, 0.0012663200000000, 0.0006056700000000 ] - [ 0.0000239400000000, -0.0007669000000000, -0.0005177600000000 ] - [ 0.0000495300000000, 0.0004902500000000, -0.0000815200000000 ] - [ 0.0006324200000000, -0.0006552500000000, -0.0006163300000000 ] - [ -0.0002086700000000, 0.0004374300000000, -0.0002758300000000 ] - [ 0.0042605900000000, -0.0079892400000000, 0.0022417800000000 ] - [ 0.0004821000000000, 0.0029616000000000, -0.0000511000000000 ] - [ 0.0003139200000000, -0.0013852600000000, -0.0000101100000000 ] - [ -0.0002407300000000, 0.0011621800000000, -0.0007350000000000 ] - [ 0.0046028300000000, -0.0036366800000000, 0.0012465100000000 ] - [ 0.0001198100000000, 0.0026873000000000, 0.0002530600000000 ] - [ -0.0000669300000000, -0.0001030000000000, 0.0002063200000000 ] - [ 0.0000678100000000, 0.0004977200000000, -0.0002142300000000 ] - [ 0.0002317900000000, 0.0004678300000000, 0.0002342500000000 ] - [ 0.0001325200000000, -0.0002457200000000, -0.0011822600000000 ] - [ 0.0000520500000000, 0.0000321400000000, -0.0006331200000000 ] - [ 0.0001068900000000, -0.0002033200000000, 0.0023943500000000 ] - [ -0.0011948300000000, 0.0054909000000000, -0.0040838900000000 ] - [ 0.0004883400000000, 0.0010216300000000, 0.0009038600000000 ] - [ 0.0000093000000000, 0.0004335900000000, 0.0003700700000000 ] - [ 0.0000467400000000, 0.0005530700000000, -0.0014346200000000 ] - [ -0.0000542600000000, -0.0004553500000000, -0.0004571500000000 ] - [ 0.0001183400000000, 0.0006491000000000, -0.0000100100000000 ] - [ 0.0003745400000000, -0.0011472600000000, 0.0000829900000000 ] - [ -0.0000038200000000, 0.0011946900000000, -0.0003785900000000 ] - [ -0.0044193100000000, -0.0038037400000000, 0.0013782400000000 ] - [ -0.0000910300000000, 0.0024072400000000, 0.0002333500000000 ] - [ -0.0003153500000000, -0.0012481500000000, 0.0000257000000000 ] - [ 0.0002426600000000, 0.0013585500000000, -0.0007680600000000 ] - [ -0.0066189100000000, -0.0085722000000000, 0.0008760600000000 ] - [ -0.0004883900000000, 0.0030733400000000, -0.0002373500000000 ] - [ 0.0001842300000000, -0.0004112700000000, -0.0004190400000000 ] - [ 0.0001323200000000, 0.0003420400000000, -0.0003212900000000 ] - [ -0.0011152300000000, 0.0000861100000000, -0.0005426500000000 ] - [ -0.0000330600000000, 0.0000884500000000, 0.0002095700000000 ] - [ 0.0039001600000000, 0.0027678200000000, -0.0071301000000000 ] - [ -0.0003463300000000, 0.0012739300000000, 0.0003770700000000 ] - [ -0.0034860400000000, 0.0039982800000000, 0.0006625900000000 ] - [ 0.0045610600000000, 0.0036809100000000, 0.0059627100000000 ]- atom: 37 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0023438200000000, -0.0090419900000000, -0.0004005600000000 ] - [ 0.0007864300000000, 0.0064239500000000, 0.0034005600000000 ] - [ 0.0000916400000000, -0.0044882000000000, -0.0034080300000000 ] - [ 0.0001003600000000, 0.0020926700000000, 0.0004429300000000 ] - [ 0.0003351500000000, -0.0002407500000000, -0.0001585500000000 ] - [ 0.0000928200000000, 0.0002817300000000, -0.0006234500000000 ] - [ 0.0006422700000000, -0.0024833700000000, 0.0008710600000000 ] - [ 0.0015371100000000, 0.0022702700000000, -0.0005615900000000 ] - [ 0.0006890500000000, -0.0017944100000000, -0.0003279900000000 ] - [ -0.0008489800000000, 0.0048615700000000, 0.0024237700000000 ] - [ -0.0000388900000000, -0.0053056700000000, -0.0026253500000000 ] - [ -0.0000432400000000, 0.0018419300000000, 0.0003208600000000 ] - [ -0.0003010700000000, -0.0000185500000000, -0.0003462900000000 ] - [ -0.0001070500000000, 0.0005041000000000, -0.0011024500000000 ] - [ -0.0002371100000000, -0.0043240200000000, 0.0027840500000000 ] - [ -0.0014617700000000, 0.0028230600000000, -0.0004808400000000 ] - [ -0.0001121300000000, -0.0015379600000000, -0.0047872600000000 ] - [ 0.0000466100000000, 0.0007960200000000, 0.0008765900000000 ] - [ 0.0001305700000000, -0.0016316600000000, -0.0009679500000000 ] - [ -0.0004823600000000, 0.0015728500000000, -0.0010032800000000 ] - [ 0.0320441000000000, -0.0296090400000000, -0.0020429600000000 ] - [ 0.0007929400000000, 0.0068316200000000, 0.0014492500000000 ] - [ 0.0025644500000000, 0.0009751400000000, 0.0031652800000000 ] - [ -0.0004255500000000, 0.0047905900000000, -0.0027828300000000 ] - [ -0.0001806100000000, -0.0011071400000000, -0.0004228000000000 ] - [ 0.0001214500000000, 0.0012901200000000, -0.0002595100000000 ] - [ -0.0003348000000000, -0.0009808600000000, -0.0007540000000000 ] - [ -0.0000712700000000, 0.0011822800000000, 0.0007752500000000 ] - [ -0.0022075000000000, 0.0008295500000000, 0.0029280000000000 ] - [ 0.0006075500000000, 0.0046634200000000, -0.0025775700000000 ] - [ -0.0308878200000000, -0.0271012500000000, 0.0023587400000000 ] - [ -0.0007235400000000, 0.0050518400000000, 0.0011792800000000 ] - [ 0.0007274800000000, 0.0032475200000000, 0.0040655200000000 ] - [ 0.0000423000000000, -0.0018927400000000, -0.0007531400000000 ] - [ 0.0000808200000000, 0.0010275800000000, 0.0012990300000000 ] - [ 0.0001949400000000, -0.0004523100000000, -0.0001349800000000 ] - [ -0.0055609000000000, 0.0708383400000000, -0.0113160900000000 ] - [ 0.0003145700000000, -0.0019480600000000, 0.0002483800000000 ] - [ -0.0001241600000000, -0.0001875300000000, -0.0038482600000000 ] - [ -0.0002380400000000, -0.0014553500000000, 0.0009547100000000 ] - [ -0.0016211700000000, -0.0059687400000000, 0.0091623200000000 ] - [ -0.0000231000000000, 0.0003354600000000, -0.0017518600000000 ] - [ 0.0000539700000000, -0.0003928700000000, -0.0003101800000000 ] - [ -0.0000437300000000, 0.0004029400000000, 0.0011288100000000 ] - [ 0.0000255500000000, 0.0005124200000000, 0.0002580900000000 ] - [ -0.0000679600000000, -0.0008100400000000, 0.0019821900000000 ] - [ -0.0055002200000000, -0.0064016200000000, -0.0010431000000000 ] - [ 0.0054153400000000, -0.0074231700000000, -0.0038777200000000 ] - [ 0.0037232000000000, -0.0021982200000000, 0.0069192800000000 ] - [ -0.0002227600000000, -0.0009712400000000, -0.0006164100000000 ] - [ -0.0000877300000000, 0.0007532900000000, 0.0006349200000000 ] - [ -0.0001133000000000, -0.0004993600000000, 0.0002042500000000 ] - [ -0.0009735600000000, 0.0003631600000000, 0.0002540700000000 ] - [ -0.0001411600000000, -0.0007192300000000, -0.0000855000000000 ] - [ -0.0041540800000000, 0.0080205100000000, -0.0023017600000000 ] - [ -0.0003291900000000, -0.0028590000000000, -0.0000676800000000 ] - [ -0.0004806100000000, 0.0013608800000000, 0.0000777000000000 ] - [ 0.0000723100000000, -0.0011781800000000, 0.0008056400000000 ] - [ -0.0044301700000000, 0.0037522900000000, -0.0017670000000000 ] - [ 0.0000587300000000, -0.0025064200000000, -0.0007430500000000 ] - [ -0.0001092600000000, 0.0002722500000000, 0.0002904200000000 ] - [ -0.0002428300000000, -0.0003295600000000, 0.0007084200000000 ] - [ -0.0000625600000000, -0.0004925900000000, -0.0003135400000000 ] - [ 0.0000341000000000, 0.0002264400000000, 0.0011014200000000 ] - [ -0.0002000500000000, 0.0000461400000000, 0.0007487400000000 ] - [ -0.0002572300000000, 0.0002917500000000, -0.0022707600000000 ] - [ 0.0015732700000000, -0.0057944900000000, 0.0044255100000000 ] - [ -0.0001358300000000, -0.0013091800000000, -0.0005382600000000 ] - [ 0.0000549600000000, -0.0004507300000000, -0.0004982500000000 ] - [ 0.0000168900000000, -0.0005566500000000, 0.0013056500000000 ] - [ 0.0000186700000000, 0.0007508900000000, 0.0004761100000000 ] - [ -0.0001537800000000, -0.0003476300000000, 0.0000318400000000 ] - [ -0.0002122200000000, 0.0009293200000000, -0.0001402000000000 ] - [ 0.0001665800000000, -0.0013968400000000, 0.0003071800000000 ] - [ 0.0043295100000000, 0.0040345800000000, -0.0018938500000000 ] - [ -0.0000020900000000, -0.0021110500000000, -0.0007206500000000 ] - [ 0.0004717400000000, 0.0014069100000000, 0.0002376700000000 ] - [ -0.0000840500000000, -0.0011916400000000, 0.0010350500000000 ] - [ 0.0067937600000000, 0.0085195900000000, -0.0012051600000000 ] - [ 0.0006281000000000, -0.0030354600000000, -0.0001341600000000 ] - [ 0.0003175900000000, 0.0004507900000000, 0.0000448800000000 ] - [ 0.0003691700000000, -0.0003025000000000, -0.0000531600000000 ] - [ 0.0010584200000000, -0.0000627400000000, 0.0004330300000000 ] - [ -0.0000125100000000, -0.0000604400000000, -0.0003124700000000 ] - [ -0.0040051600000000, -0.0024689100000000, 0.0072515100000000 ] - [ 0.0002545200000000, -0.0010076300000000, -0.0002498600000000 ] - [ 0.0031856600000000, -0.0042402500000000, -0.0007400000000000 ] - [ -0.0048553800000000, -0.0039384900000000, -0.0060476600000000 ]- atom: 37 displacement: [ -0.0014701282124378, 0.0000000000000000, 0.0098913458659069 ] forces: - [ -0.0011680400000000, -0.0030876100000000, 0.0126328900000000 ] - [ -0.0010718200000000, -0.0011864000000000, 0.0009839100000000 ] - [ -0.0012120100000000, 0.0029465200000000, -0.0145233300000000 ] - [ -0.0000668200000000, -0.0000655200000000, -0.0000323000000000 ] - [ 0.0001898700000000, -0.0003461700000000, -0.0026827400000000 ] - [ 0.0000840400000000, 0.0004069800000000, -0.0017817500000000 ] - [ 0.0010084100000000, -0.0024792600000000, -0.0047691100000000 ] - [ 0.0011122100000000, 0.0010301100000000, -0.0010598600000000 ] - [ 0.0014745600000000, 0.0015948900000000, 0.0041770100000000 ] - [ 0.0008687200000000, -0.0009808100000000, 0.0015462700000000 ] - [ 0.0008472100000000, -0.0000797900000000, -0.0003836100000000 ] - [ 0.0001243800000000, -0.0000979300000000, 0.0010021300000000 ] - [ -0.0001224100000000, -0.0000757900000000, -0.0023163900000000 ] - [ -0.0000934100000000, 0.0006416200000000, -0.0019646000000000 ] - [ -0.0020836300000000, -0.0026149200000000, -0.0021463000000000 ] - [ -0.0010177600000000, 0.0013458200000000, -0.0004755200000000 ] - [ 0.0000132900000000, 0.0003777300000000, -0.0058790100000000 ] - [ 0.0002208500000000, -0.0003555500000000, -0.0027128200000000 ] - [ 0.0001632300000000, -0.0003345600000000, -0.0033191200000000 ] - [ -0.0003968300000000, 0.0001400700000000, -0.0025593300000000 ] - [ -0.0167683400000000, 0.0030454100000000, 0.0213166600000000 ] - [ 0.0004847500000000, 0.0020044800000000, 0.0033473200000000 ] - [ -0.0030777400000000, -0.0032470900000000, -0.0008854100000000 ] - [ -0.0006867200000000, 0.0044434400000000, -0.0003108300000000 ] - [ -0.0003033800000000, -0.0000598400000000, -0.0025581300000000 ] - [ 0.0001387600000000, 0.0001521300000000, -0.0016772900000000 ] - [ -0.0002191100000000, 0.0007135400000000, -0.0025814000000000 ] - [ -0.0002591900000000, -0.0002018400000000, -0.0019495100000000 ] - [ 0.0023768500000000, -0.0047463900000000, -0.0030607500000000 ] - [ 0.0011437000000000, 0.0058054500000000, -0.0014429400000000 ] - [ -0.0002434900000000, -0.0015464800000000, 0.0186843500000000 ] - [ -0.0004365800000000, 0.0014470900000000, 0.0041598700000000 ] - [ 0.0009484500000000, 0.0001383700000000, 0.0047369100000000 ] - [ 0.0001248900000000, -0.0007083200000000, 0.0003981700000000 ] - [ 0.0002240000000000, 0.0009737600000000, 0.0022271100000000 ] - [ 0.0002330200000000, 0.0004047600000000, 0.0013213900000000 ] - [ 0.0370844900000000, 0.0102880100000000, -0.0510810000000000 ] - [ 0.0002415100000000, -0.0001346100000000, -0.0009468000000000 ] - [ 0.0001969200000000, 0.0044675600000000, 0.0045066200000000 ] - [ 0.0000873600000000, -0.0011592600000000, 0.0005260100000000 ] - [ -0.0012030800000000, -0.0039400700000000, 0.0068620000000000 ] - [ 0.0002530700000000, 0.0016376700000000, 0.0014329000000000 ] - [ -0.0002130100000000, 0.0010959100000000, 0.0015551200000000 ] - [ -0.0004261000000000, -0.0001735500000000, 0.0017764900000000 ] - [ 0.0002046300000000, -0.0003407200000000, 0.0021472900000000 ] - [ -0.0000881900000000, -0.0010705600000000, 0.0027493400000000 ] - [ -0.0024649400000000, -0.0036425300000000, -0.0026970200000000 ] - [ -0.0015131000000000, 0.0034426300000000, -0.0009499200000000 ] - [ 0.0071197100000000, -0.0059163000000000, 0.0023214800000000 ] - [ 0.0001955400000000, 0.0012752200000000, -0.0014369000000000 ] - [ -0.0000506000000000, 0.0004531700000000, 0.0022427400000000 ] - [ -0.0000673100000000, 0.0000481300000000, 0.0007818200000000 ] - [ -0.0007439600000000, -0.0005343400000000, 0.0014772000000000 ] - [ -0.0002671500000000, -0.0003861800000000, 0.0007702100000000 ] - [ -0.0134180200000000, -0.0011770300000000, 0.0049777800000000 ] - [ -0.0000050400000000, 0.0001254600000000, -0.0005500700000000 ] - [ 0.0003895100000000, 0.0002070400000000, 0.0012905300000000 ] - [ 0.0000982300000000, -0.0008200500000000, 0.0009499400000000 ] - [ 0.0028631500000000, 0.0006298100000000, -0.0025152300000000 ] - [ 0.0001701900000000, -0.0010052800000000, -0.0024434400000000 ] - [ -0.0003173100000000, -0.0003129600000000, 0.0019341800000000 ] - [ -0.0001937900000000, -0.0005835400000000, 0.0017174900000000 ] - [ 0.0002789300000000, 0.0006606700000000, 0.0011583300000000 ] - [ 0.0005486000000000, -0.0003904800000000, 0.0015637400000000 ] - [ -0.0002447800000000, -0.0002139200000000, 0.0004846100000000 ] - [ -0.0003826900000000, 0.0010677900000000, 0.0004930500000000 ] - [ -0.0104628600000000, 0.0000417600000000, -0.0006172200000000 ] - [ -0.0000471100000000, -0.0009057200000000, -0.0015599700000000 ] - [ -0.0003551900000000, 0.0009783200000000, 0.0007085500000000 ] - [ -0.0002846600000000, -0.0012137900000000, 0.0009485200000000 ] - [ -0.0001432700000000, 0.0006409700000000, 0.0015842300000000 ] - [ -0.0001744000000000, 0.0002958000000000, 0.0011101700000000 ] - [ -0.0003628900000000, -0.0005741700000000, 0.0012925600000000 ] - [ 0.0001173200000000, -0.0006944000000000, 0.0004622800000000 ] - [ -0.0054746500000000, 0.0034969400000000, 0.0011953500000000 ] - [ -0.0003452400000000, -0.0013868600000000, -0.0022914800000000 ] - [ -0.0004215700000000, 0.0000331500000000, 0.0018814500000000 ] - [ -0.0002368700000000, -0.0010588400000000, 0.0014412700000000 ] - [ 0.0101046600000000, 0.0012240700000000, -0.0032272300000000 ] - [ 0.0001066600000000, 0.0000522700000000, -0.0010007600000000 ] - [ 0.0002539200000000, 0.0001054500000000, 0.0005277600000000 ] - [ 0.0002962900000000, 0.0002264800000000, 0.0004564200000000 ] - [ 0.0007349600000000, -0.0002459600000000, 0.0008012600000000 ] - [ 0.0001284500000000, 0.0003357300000000, 0.0007130900000000 ] - [ -0.0085900800000000, -0.0085272100000000, 0.0059286400000000 ] - [ -0.0001740700000000, 0.0017999100000000, -0.0013410800000000 ] - [ 0.0020632100000000, -0.0030113300000000, -0.0018528200000000 ] - [ 0.0025807300000000, -0.0006081600000000, -0.0037214600000000 ]- atom: 37 displacement: [ 0.0014701282124378, 0.0000000000000000, -0.0098913458659069 ] forces: - [ 0.0010992900000000, 0.0036721900000000, -0.0130388800000000 ] - [ 0.0010318700000000, 0.0009993500000000, -0.0008908800000000 ] - [ 0.0013852100000000, -0.0024615700000000, 0.0146915100000000 ] - [ 0.0002582200000000, 0.0005153900000000, 0.0003068300000000 ] - [ -0.0000753300000000, 0.0003170700000000, 0.0025655400000000 ] - [ 0.0000310900000000, -0.0004303700000000, 0.0016622600000000 ] - [ -0.0010979400000000, 0.0020639600000000, 0.0044967000000000 ] - [ -0.0011969700000000, -0.0014782900000000, 0.0007743100000000 ] - [ -0.0014039300000000, -0.0020239700000000, -0.0039108200000000 ] - [ -0.0007834200000000, 0.0004985200000000, -0.0012876700000000 ] - [ -0.0009545100000000, 0.0000562500000000, 0.0005464400000000 ] - [ -0.0002388400000000, 0.0000704100000000, -0.0008815400000000 ] - [ -0.0000680000000000, 0.0005293500000000, 0.0020512600000000 ] - [ -0.0000977500000000, -0.0001872900000000, 0.0016941700000000 ] - [ 0.0021441300000000, 0.0024821900000000, 0.0020184200000000 ] - [ 0.0010600900000000, -0.0015211700000000, 0.0003604200000000 ] - [ 0.0003032000000000, -0.0004254200000000, 0.0058871300000000 ] - [ 0.0000974200000000, 0.0003130700000000, 0.0026883100000000 ] - [ -0.0003234800000000, 0.0001935700000000, 0.0032275700000000 ] - [ 0.0002322800000000, -0.0002878700000000, 0.0024700800000000 ] - [ 0.0167278900000000, -0.0033233800000000, -0.0208700700000000 ] - [ -0.0003164900000000, -0.0023857800000000, -0.0031866100000000 ] - [ 0.0031584500000000, 0.0034342500000000, 0.0005002800000000 ] - [ 0.0007937900000000, -0.0042768100000000, -0.0000827300000000 ] - [ 0.0001845600000000, 0.0002357700000000, 0.0029700900000000 ] - [ -0.0002532200000000, 0.0000186700000000, 0.0020902400000000 ] - [ 0.0000495400000000, -0.0010732300000000, 0.0024206300000000 ] - [ 0.0000890000000000, -0.0001642300000000, 0.0017773000000000 ] - [ -0.0021813000000000, 0.0046074900000000, 0.0031724800000000 ] - [ -0.0009680100000000, -0.0059346600000000, 0.0015407500000000 ] - [ 0.0002692900000000, 0.0016437900000000, -0.0186714700000000 ] - [ 0.0001219000000000, -0.0015099800000000, -0.0041429700000000 ] - [ -0.0006992500000000, -0.0004232900000000, -0.0046924700000000 ] - [ 0.0001334700000000, 0.0004378800000000, -0.0003057200000000 ] - [ -0.0001379200000000, -0.0007051400000000, -0.0023484400000000 ] - [ -0.0001463000000000, -0.0001336600000000, -0.0014345200000000 ] - [ -0.0372796700000000, -0.0113078300000000, 0.0515231200000000 ] - [ -0.0001952200000000, 0.0001659300000000, 0.0010479400000000 ] - [ -0.0006977500000000, -0.0043649500000000, -0.0040822900000000 ] - [ -0.0005846700000000, 0.0011996200000000, -0.0001573700000000 ] - [ 0.0010733400000000, 0.0039947600000000, -0.0065467900000000 ] - [ -0.0003965300000000, -0.0016270700000000, -0.0010543100000000 ] - [ 0.0000512600000000, -0.0009343900000000, -0.0018293200000000 ] - [ 0.0002635100000000, 0.0003303300000000, -0.0020462100000000 ] - [ -0.0001136300000000, 0.0006203800000000, -0.0016506300000000 ] - [ 0.0001805300000000, 0.0013600100000000, -0.0022626900000000 ] - [ 0.0023220900000000, 0.0034414300000000, 0.0027838800000000 ] - [ 0.0013633500000000, -0.0035939700000000, 0.0010550200000000 ] - [ -0.0070092500000000, 0.0061770200000000, -0.0023649400000000 ] - [ -0.0001571700000000, -0.0009762900000000, 0.0014117300000000 ] - [ -0.0000133000000000, -0.0004602300000000, -0.0021083700000000 ] - [ 0.0000040100000000, -0.0000584000000000, -0.0006587400000000 ] - [ 0.0003998900000000, 0.0002459600000000, -0.0018379200000000 ] - [ -0.0000817300000000, 0.0000999200000000, -0.0011263600000000 ] - [ 0.0137741400000000, 0.0012653300000000, -0.0051245000000000 ] - [ 0.0001580400000000, -0.0000228300000000, 0.0004365700000000 ] - [ -0.0005500400000000, -0.0002294900000000, -0.0012234900000000 ] - [ -0.0002651800000000, 0.0007992700000000, -0.0008783300000000 ] - [ -0.0026924300000000, -0.0005018600000000, 0.0019615800000000 ] - [ 0.0000081600000000, 0.0011788600000000, 0.0019365600000000 ] - [ 0.0001421900000000, 0.0004766000000000, -0.0014328600000000 ] - [ 0.0000186000000000, 0.0007521000000000, -0.0012193600000000 ] - [ -0.0001071400000000, -0.0006817600000000, -0.0012357100000000 ] - [ -0.0003742800000000, 0.0003643500000000, -0.0016387700000000 ] - [ 0.0000959600000000, 0.0003014000000000, -0.0003662900000000 ] - [ 0.0002356500000000, -0.0009865900000000, -0.0003567400000000 ] - [ 0.0108616200000000, -0.0002738700000000, 0.0009075100000000 ] - [ 0.0003965900000000, 0.0006234300000000, 0.0019211700000000 ] - [ 0.0004171300000000, -0.0009903900000000, -0.0008364100000000 ] - [ 0.0003434600000000, 0.0012073900000000, -0.0010783100000000 ] - [ 0.0001085800000000, -0.0003422600000000, -0.0015623000000000 ] - [ 0.0001391200000000, 0.0000044700000000, -0.0010838900000000 ] - [ 0.0005337400000000, 0.0003563300000000, -0.0013585400000000 ] - [ 0.0000462000000000, 0.0004870100000000, -0.0005289800000000 ] - [ 0.0053510300000000, -0.0032294400000000, -0.0017314700000000 ] - [ 0.0002498800000000, 0.0016732600000000, 0.0017876000000000 ] - [ 0.0005723200000000, 0.0001267400000000, -0.0016162200000000 ] - [ 0.0003922200000000, 0.0012172000000000, -0.0011693700000000 ] - [ -0.0100296900000000, -0.0012172000000000, 0.0029112900000000 ] - [ 0.0000318600000000, -0.0000106900000000, 0.0006292200000000 ] - [ 0.0002481300000000, -0.0000669700000000, -0.0009006200000000 ] - [ 0.0002053500000000, -0.0001865700000000, -0.0008289200000000 ] - [ -0.0007866400000000, 0.0002734200000000, -0.0009059300000000 ] - [ -0.0001753700000000, -0.0003097500000000, -0.0008131200000000 ] - [ 0.0083841000000000, 0.0087046600000000, -0.0057850700000000 ] - [ 0.0000852300000000, -0.0015287700000000, 0.0014533400000000 ] - [ -0.0023446800000000, 0.0027499000000000, 0.0017797300000000 ] - [ -0.0028309100000000, 0.0003614600000000, 0.0036869100000000 ]- atom: 39 displacement: [ 0.0099999999959232, 0.0000000000000000, 0.0000002855446085 ] forces: - [ 0.0022941600000000, 0.0000805600000000, 0.0002750000000000 ] - [ 0.0012090800000000, -0.0000192000000000, 0.0003375200000000 ] - [ 0.0154388700000000, 0.0001672400000000, 0.0001154800000000 ] - [ 0.0095803800000000, 0.0000747700000000, -0.0003606100000000 ] - [ 0.0061557400000000, -0.0000832200000000, 0.0004318900000000 ] - [ 0.0008071500000000, -0.0000087200000000, -0.0000842100000000 ] - [ 0.0002403100000000, -0.0000757600000000, 0.0003762800000000 ] - [ 0.0002799300000000, -0.0001843300000000, 0.0003193900000000 ] - [ -0.0042533900000000, -0.0002753700000000, 0.0004207600000000 ] - [ -0.0012978100000000, -0.0001491700000000, 0.0002559900000000 ] - [ -0.0113133000000000, 0.0003839200000000, 0.0001434600000000 ] - [ -0.0054993400000000, -0.0000481900000000, -0.0001269600000000 ] - [ -0.0069716400000000, -0.0002456600000000, -0.0004647300000000 ] - [ -0.0009218800000000, 0.0002043600000000, -0.0002488900000000 ] - [ -0.0001818200000000, -0.0002109700000000, -0.0006634600000000 ] - [ -0.0002077500000000, -0.0000825100000000, -0.0004800100000000 ] - [ 0.0001883100000000, -0.0000410700000000, 0.0009199600000000 ] - [ 0.0002343700000000, -0.0001765600000000, 0.0006153600000000 ] - [ 0.0011343100000000, -0.0044437500000000, 0.0055443200000000 ] - [ -0.0010707200000000, 0.0040222600000000, 0.0027105900000000 ] - [ 0.0021816100000000, 0.0069183400000000, 0.0047140400000000 ] - [ -0.0004447000000000, -0.0032554100000000, 0.0051064600000000 ] - [ 0.0572819300000000, 0.0144690600000000, -0.0132480600000000 ] - [ 0.0001331400000000, 0.0004256600000000, -0.0009306100000000 ] - [ 0.0011847200000000, 0.0039744900000000, -0.0048758200000000 ] - [ -0.0006970500000000, -0.0032539600000000, -0.0021391700000000 ] - [ -0.0002621300000000, -0.0000926000000000, -0.0007562500000000 ] - [ -0.0002941500000000, -0.0000057500000000, -0.0005283500000000 ] - [ 0.0513607200000000, -0.0122290800000000, 0.0084241900000000 ] - [ 0.0001033900000000, -0.0004139700000000, 0.0006285500000000 ] - [ 0.0018977600000000, -0.0071829500000000, -0.0059307600000000 ] - [ -0.0008339200000000, 0.0033416200000000, -0.0057994700000000 ] - [ -0.0001282900000000, -0.0001022800000000, -0.0001307200000000 ] - [ -0.0000487100000000, -0.0001047200000000, -0.0001233700000000 ] - [ 0.0002048000000000, -0.0002945800000000, -0.0014590600000000 ] - [ 0.0002441500000000, -0.0011314000000000, -0.0003759600000000 ] - [ -0.0038630300000000, -0.0000869100000000, -0.0000234300000000 ] - [ -0.0021239000000000, 0.0000046100000000, 0.0000667700000000 ] - [ -0.2316290500000000, 0.0005032200000000, 0.0034280500000000 ] - [ -0.0012673000000000, 0.0000417200000000, 0.0002113300000000 ] - [ -0.0003296400000000, -0.0001032600000000, -0.0002181700000000 ] - [ -0.0003007900000000, -0.0000496200000000, -0.0000402700000000 ] - [ 0.0026185900000000, -0.0095165000000000, -0.0100035000000000 ] - [ -0.0014160100000000, 0.0008836100000000, 0.0002778900000000 ] - [ -0.0005437400000000, 0.0011003200000000, -0.0007951000000000 ] - [ -0.0003374200000000, 0.0004522300000000, -0.0008201100000000 ] - [ -0.0001316400000000, 0.0003361600000000, -0.0015084800000000 ] - [ -0.0003035500000000, -0.0022265100000000, -0.0006730600000000 ] - [ -0.0004171200000000, -0.0020017100000000, 0.0005359400000000 ] - [ 0.0004398400000000, 0.0163860400000000, -0.0039335800000000 ] - [ -0.0029018400000000, 0.0001501400000000, 0.0000045900000000 ] - [ -0.0014555800000000, -0.0001037800000000, 0.0001226200000000 ] - [ -0.0005133800000000, -0.0000963300000000, -0.0002606600000000 ] - [ -0.0004378700000000, -0.0001109000000000, -0.0002161800000000 ] - [ -0.0001068700000000, -0.0000140200000000, -0.0015186700000000 ] - [ 0.0001863100000000, 0.0006971700000000, -0.0010489300000000 ] - [ 0.0174663200000000, -0.0116479000000000, 0.0128469100000000 ] - [ 0.0004086100000000, 0.0004715300000000, 0.0002854300000000 ] - [ 0.0118991800000000, -0.0134320700000000, -0.0158608700000000 ] - [ 0.0007663100000000, 0.0011153000000000, -0.0003864900000000 ] - [ -0.0006019600000000, -0.0007749000000000, 0.0010931700000000 ] - [ -0.0005019500000000, -0.0002526200000000, 0.0010994800000000 ] - [ 0.0023267500000000, 0.0080810000000000, 0.0084379600000000 ] - [ -0.0012637400000000, -0.0007308600000000, -0.0004031600000000 ] - [ 0.0000523800000000, 0.0001288200000000, 0.0000948600000000 ] - [ 0.0001643600000000, 0.0000641800000000, 0.0000994800000000 ] - [ 0.0024915500000000, -0.0002112100000000, 0.0001006000000000 ] - [ 0.0027939300000000, -0.0001675900000000, 0.0002709800000000 ] - [ 0.0542852700000000, -0.0000397800000000, 0.0015334500000000 ] - [ 0.0007648900000000, -0.0001055100000000, 0.0000040000000000 ] - [ -0.0000544100000000, 0.0005323500000000, 0.0013845300000000 ] - [ 0.0001374000000000, 0.0012942800000000, 0.0002136000000000 ] - [ 0.0003383200000000, -0.0002882500000000, 0.0001832700000000 ] - [ 0.0002859000000000, -0.0002190200000000, 0.0000871100000000 ] - [ 0.0125657500000000, 0.0131223800000000, 0.0153947800000000 ] - [ 0.0005946500000000, -0.0008210300000000, -0.0001198800000000 ] - [ 0.0157615700000000, 0.0112803200000000, -0.0117549600000000 ] - [ 0.0006598400000000, -0.0005006000000000, 0.0001486700000000 ] - [ -0.0000650000000000, 0.0000889100000000, 0.0016047100000000 ] - [ 0.0002675000000000, -0.0008078900000000, 0.0006845700000000 ] - [ 0.0025275500000000, 0.0000455200000000, -0.0001442600000000 ] - [ 0.0025273200000000, 0.0001300400000000, -0.0002150100000000 ] - [ 0.0003284800000000, 0.0000774700000000, 0.0000019100000000 ] - [ 0.0002582700000000, 0.0001299900000000, 0.0000334500000000 ] - [ -0.0004556000000000, 0.0021893600000000, -0.0004627900000000 ] - [ 0.0005853000000000, -0.0160261400000000, 0.0052722000000000 ] - [ -0.0000296000000000, -0.0001974400000000, 0.0010232400000000 ] - [ -0.0001793800000000, 0.0012745700000000, 0.0012492800000000 ]- atom: 39 displacement: [ -0.0099999999959232, 0.0000000000000000, -0.0000002855446085 ] forces: - [ -0.0023281600000000, -0.0002176700000000, -0.0001929800000000 ] - [ -0.0012439800000000, -0.0001505100000000, -0.0002172600000000 ] - [ -0.0152253800000000, 0.0000597700000000, 0.0001927400000000 ] - [ -0.0093829800000000, 0.0005222400000000, 0.0005911500000000 ] - [ -0.0060428500000000, 0.0001353200000000, -0.0003519800000000 ] - [ -0.0006933800000000, -0.0000507100000000, -0.0000111500000000 ] - [ -0.0003160500000000, -0.0003588400000000, -0.0006422600000000 ] - [ -0.0003561600000000, -0.0002509900000000, -0.0005856600000000 ] - [ 0.0043336600000000, -0.0001831300000000, -0.0000625800000000 ] - [ 0.0013772100000000, -0.0002897600000000, 0.0000314100000000 ] - [ 0.0112006400000000, -0.0002673100000000, -0.0000352400000000 ] - [ 0.0053799300000000, -0.0000744400000000, 0.0002368100000000 ] - [ 0.0067878300000000, 0.0006824700000000, 0.0000819600000000 ] - [ 0.0007331300000000, 0.0002315900000000, -0.0000225600000000 ] - [ 0.0002133700000000, 0.0000541800000000, 0.0005594700000000 ] - [ 0.0002412200000000, -0.0000761700000000, 0.0003798600000000 ] - [ 0.0001178300000000, -0.0000002300000000, -0.0009285100000000 ] - [ 0.0000777600000000, 0.0001266300000000, -0.0006154000000000 ] - [ -0.0014044600000000, 0.0043459400000000, -0.0056524900000000 ] - [ 0.0008938800000000, -0.0041639700000000, -0.0028140900000000 ] - [ -0.0019045400000000, -0.0072010300000000, -0.0045408700000000 ] - [ 0.0006203300000000, 0.0028712100000000, -0.0049002200000000 ] - [ -0.0517711200000000, -0.0124368100000000, 0.0121892600000000 ] - [ 0.0000214000000000, -0.0003145600000000, 0.0004943300000000 ] - [ -0.0011977900000000, -0.0037573100000000, 0.0052859000000000 ] - [ 0.0005954600000000, 0.0034378400000000, 0.0025487800000000 ] - [ 0.0001015100000000, -0.0002640800000000, 0.0006116900000000 ] - [ 0.0001285600000000, -0.0003616900000000, 0.0003844800000000 ] - [ -0.0566433000000000, 0.0139721200000000, -0.0086746100000000 ] - [ 0.0000219300000000, 0.0002117200000000, -0.0005593400000000 ] - [ -0.0023265000000000, 0.0072157100000000, 0.0059690600000000 ] - [ 0.0005127400000000, -0.0034134000000000, 0.0058596900000000 ] - [ 0.0003893900000000, -0.0001741400000000, 0.0002126400000000 ] - [ 0.0003082600000000, -0.0001690700000000, 0.0001984800000000 ] - [ -0.0000905300000000, 0.0005495800000000, 0.0013520200000000 ] - [ -0.0001537100000000, 0.0014048100000000, 0.0002565400000000 ] - [ 0.0039082200000000, 0.0001683600000000, 0.0002268600000000 ] - [ 0.0021696000000000, 0.0000311100000000, 0.0000255100000000 ] - [ 0.2311657300000000, -0.0040361200000000, -0.0022622700000000 ] - [ 0.0007651800000000, 0.0000133200000000, 0.0001696200000000 ] - [ 0.0001879000000000, 0.0001209300000000, 0.0005852100000000 ] - [ 0.0001598600000000, 0.0000729700000000, 0.0004041200000000 ] - [ -0.0026417700000000, 0.0096721400000000, 0.0097790300000000 ] - [ 0.0013212000000000, -0.0007000200000000, -0.0005854800000000 ] - [ 0.0006454600000000, -0.0008155100000000, 0.0012796400000000 ] - [ 0.0004364200000000, -0.0001758500000000, 0.0013095600000000 ] - [ -0.0000540200000000, -0.0005562900000000, 0.0015672000000000 ] - [ 0.0001320800000000, 0.0019996300000000, 0.0007406500000000 ] - [ 0.0003585500000000, 0.0023186400000000, -0.0005048900000000 ] - [ -0.0005384500000000, -0.0158961700000000, 0.0038611100000000 ] - [ 0.0028403000000000, -0.0000993800000000, -0.0000240400000000 ] - [ 0.0013933100000000, 0.0001013200000000, 0.0000085400000000 ] - [ 0.0001631500000000, -0.0001895100000000, -0.0001146400000000 ] - [ 0.0000884700000000, -0.0001730000000000, -0.0001509500000000 ] - [ 0.0002403100000000, 0.0000871800000000, 0.0013879800000000 ] - [ -0.0000365900000000, -0.0006048800000000, 0.0009161300000000 ] - [ -0.0175496900000000, 0.0114179700000000, -0.0125493800000000 ] - [ -0.0005858600000000, -0.0004753000000000, -0.0001981800000000 ] - [ -0.0116581800000000, 0.0133529600000000, 0.0151079900000000 ] - [ -0.0005984900000000, -0.0009199000000000, -0.0001011700000000 ] - [ 0.0004188500000000, 0.0009437800000000, -0.0006074300000000 ] - [ 0.0003185600000000, 0.0004121500000000, -0.0006106600000000 ] - [ -0.0022805000000000, -0.0081313900000000, -0.0084941900000000 ] - [ 0.0013612900000000, 0.0007382400000000, 0.0002788200000000 ] - [ -0.0002036200000000, -0.0000410700000000, -0.0000000900000000 ] - [ -0.0003144000000000, 0.0000210100000000, 0.0000082700000000 ] - [ -0.0021407800000000, -0.0001078700000000, 0.0002453800000000 ] - [ -0.0024441900000000, -0.0001019800000000, 0.0000707300000000 ] - [ -0.0542506500000000, 0.0001414300000000, -0.0014356700000000 ] - [ -0.0007008000000000, 0.0000791000000000, -0.0001204500000000 ] - [ -0.0000114400000000, -0.0002507500000000, -0.0013545800000000 ] - [ -0.0001765900000000, -0.0009917000000000, -0.0001948300000000 ] - [ -0.0001766400000000, 0.0000757600000000, -0.0002544300000000 ] - [ -0.0001238800000000, 0.0000119600000000, -0.0001610100000000 ] - [ -0.0127225700000000, -0.0130724400000000, -0.0161529200000000 ] - [ -0.0006760900000000, 0.0011333100000000, -0.0003624700000000 ] - [ -0.0156760800000000, -0.0113215600000000, 0.0122306700000000 ] - [ -0.0004918000000000, 0.0006794000000000, 0.0001343600000000 ] - [ 0.0002279600000000, -0.0000817600000000, -0.0019914700000000 ] - [ -0.0001245800000000, 0.0008382800000000, -0.0010679800000000 ] - [ -0.0020276400000000, -0.0000205600000000, -0.0002139900000000 ] - [ -0.0020276400000000, -0.0000719000000000, -0.0001498100000000 ] - [ -0.0003715900000000, -0.0000559000000000, -0.0001082600000000 ] - [ -0.0003029600000000, -0.0001066200000000, -0.0001421200000000 ] - [ 0.0004541900000000, -0.0019023100000000, 0.0006307800000000 ] - [ -0.0005355800000000, 0.0164672700000000, -0.0052197600000000 ] - [ -0.0002169900000000, -0.0000834500000000, -0.0011185000000000 ] - [ -0.0000716900000000, -0.0015603200000000, -0.0013455700000000 ]- atom: 39 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0002143600000000, 0.0024168100000000, 0.0004427900000000 ] - [ -0.0001559900000000, -0.0017309000000000, 0.0004010500000000 ] - [ 0.0008782800000000, 0.0334801000000000, -0.0038611500000000 ] - [ -0.0000247000000000, -0.0163819800000000, -0.0040462200000000 ] - [ -0.0000391800000000, 0.0065871000000000, -0.0028793100000000 ] - [ -0.0000859700000000, -0.0040631800000000, 0.0018630100000000 ] - [ -0.0000293800000000, 0.0001699400000000, 0.0003783600000000 ] - [ -0.0000225400000000, -0.0005728100000000, 0.0001393700000000 ] - [ -0.0002514100000000, 0.0012751400000000, 0.0013298300000000 ] - [ 0.0001938800000000, -0.0017036200000000, -0.0000610900000000 ] - [ 0.0002279900000000, 0.0024073200000000, -0.0018017100000000 ] - [ -0.0000945300000000, -0.0053548600000000, -0.0005932400000000 ] - [ 0.0000631300000000, 0.0059614400000000, -0.0026671300000000 ] - [ 0.0000579800000000, -0.0031039400000000, 0.0006938300000000 ] - [ -0.0000661500000000, 0.0000204300000000, -0.0000708000000000 ] - [ 0.0000349200000000, -0.0001851400000000, 0.0005779200000000 ] - [ 0.0002856300000000, 0.0013571600000000, 0.0001422400000000 ] - [ -0.0001557000000000, -0.0014883500000000, 0.0006845700000000 ] - [ -0.0032703700000000, 0.0017037900000000, 0.0040669000000000 ] - [ 0.0007358700000000, -0.0048019000000000, -0.0030969800000000 ] - [ 0.0028107000000000, 0.0018652700000000, -0.0025745500000000 ] - [ -0.0005586300000000, -0.0031712700000000, 0.0043349500000000 ] - [ 0.0218760500000000, 0.0256793400000000, -0.0042159600000000 ] - [ 0.0019651600000000, -0.0079107000000000, -0.0013594700000000 ] - [ 0.0029966500000000, 0.0021677500000000, 0.0044827800000000 ] - [ -0.0006586600000000, -0.0043256500000000, -0.0026173900000000 ] - [ -0.0002188100000000, 0.0012880200000000, 0.0002156300000000 ] - [ 0.0002165000000000, -0.0017157600000000, 0.0005182200000000 ] - [ -0.0216542400000000, 0.0246506900000000, -0.0027299200000000 ] - [ -0.0018722500000000, -0.0078569400000000, -0.0012321800000000 ] - [ -0.0031638400000000, 0.0020657900000000, -0.0028133800000000 ] - [ 0.0006634500000000, -0.0034938600000000, 0.0050635500000000 ] - [ 0.0001356200000000, -0.0005666300000000, 0.0001105500000000 ] - [ 0.0001903800000000, 0.0003727900000000, -0.0004109600000000 ] - [ 0.0005078700000000, -0.0023124100000000, -0.0006592900000000 ] - [ -0.0002177900000000, 0.0027123500000000, 0.0000938200000000 ] - [ -0.0000602000000000, 0.0002257700000000, 0.0044904600000000 ] - [ 0.0001067000000000, 0.0014853900000000, -0.0011267800000000 ] - [ 0.0020213400000000, -0.0883956200000000, 0.0140408700000000 ] - [ -0.0002375200000000, 0.0045607600000000, -0.0000118300000000 ] - [ -0.0001539400000000, -0.0003778200000000, 0.0000729100000000 ] - [ 0.0000141100000000, 0.0003349600000000, -0.0001166500000000 ] - [ -0.0051357900000000, 0.0049008900000000, 0.0087041200000000 ] - [ 0.0047629200000000, 0.0037547300000000, -0.0041281600000000 ] - [ 0.0001734700000000, 0.0012069400000000, -0.0013521900000000 ] - [ 0.0001714900000000, -0.0005178900000000, 0.0013689700000000 ] - [ 0.0000065900000000, -0.0008682500000000, -0.0012608000000000 ] - [ -0.0001778900000000, 0.0006060100000000, 0.0007030500000000 ] - [ -0.0061048600000000, 0.0040279800000000, 0.0042535600000000 ] - [ 0.0060046700000000, 0.0073319100000000, -0.0031526300000000 ] - [ 0.0001069400000000, -0.0008633800000000, -0.0082752900000000 ] - [ 0.0000046500000000, 0.0024100700000000, 0.0016197100000000 ] - [ -0.0001775900000000, -0.0008672600000000, -0.0001285000000000 ] - [ -0.0001766800000000, 0.0005607700000000, -0.0006745300000000 ] - [ -0.0003840700000000, -0.0010009900000000, 0.0003437500000000 ] - [ 0.0002661100000000, 0.0010770700000000, -0.0011102600000000 ] - [ -0.0077752000000000, -0.0051142900000000, -0.0010142000000000 ] - [ -0.0002547300000000, 0.0031650800000000, 0.0001355700000000 ] - [ -0.0011421200000000, -0.0075710500000000, -0.0039332200000000 ] - [ -0.0003897100000000, 0.0031874900000000, 0.0007151000000000 ] - [ -0.0001069400000000, 0.0011561100000000, -0.0013710200000000 ] - [ -0.0002350700000000, -0.0006045800000000, 0.0012838800000000 ] - [ 0.0046396700000000, 0.0043933400000000, 0.0083791600000000 ] - [ -0.0052006300000000, 0.0039489000000000, -0.0051778500000000 ] - [ -0.0000438700000000, -0.0002332000000000, -0.0004273700000000 ] - [ -0.0001213600000000, 0.0002734100000000, -0.0001084400000000 ] - [ 0.0002095700000000, -0.0004593800000000, 0.0010483600000000 ] - [ 0.0000709000000000, 0.0001390900000000, -0.0013283000000000 ] - [ -0.0004401000000000, 0.0042242100000000, 0.0056137400000000 ] - [ -0.0000108300000000, 0.0012832100000000, -0.0000229300000000 ] - [ -0.0005180900000000, -0.0024778500000000, -0.0004820200000000 ] - [ 0.0001728600000000, 0.0028430800000000, -0.0000479500000000 ] - [ 0.0001044900000000, -0.0006369500000000, 0.0000014300000000 ] - [ -0.0000449800000000, 0.0006107400000000, -0.0003558400000000 ] - [ 0.0016575800000000, -0.0073540200000000, -0.0034857900000000 ] - [ 0.0004498300000000, 0.0033571100000000, 0.0007659700000000 ] - [ 0.0065922800000000, -0.0049543300000000, -0.0006147700000000 ] - [ 0.0002738000000000, 0.0032381800000000, 0.0001861400000000 ] - [ 0.0006181300000000, -0.0011646900000000, 0.0002678500000000 ] - [ -0.0002098400000000, 0.0012346400000000, -0.0012561800000000 ] - [ 0.0001511900000000, 0.0004331200000000, -0.0007196400000000 ] - [ 0.0002177300000000, 0.0004165100000000, 0.0009100700000000 ] - [ -0.0000261000000000, -0.0004183300000000, -0.0001395200000000 ] - [ -0.0000030800000000, 0.0003349900000000, -0.0002559100000000 ] - [ 0.0054633000000000, 0.0038250500000000, 0.0040757800000000 ] - [ -0.0065472700000000, 0.0081956900000000, -0.0039400400000000 ] - [ -0.0000610700000000, -0.0007219600000000, -0.0011628200000000 ] - [ -0.0000350400000000, 0.0004172800000000, 0.0003523500000000 ]- atom: 39 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0002504000000000, -0.0025815200000000, -0.0003503800000000 ] - [ 0.0001214100000000, 0.0015758700000000, -0.0002866800000000 ] - [ -0.0006767600000000, -0.0356595400000000, 0.0046791300000000 ] - [ 0.0002155100000000, 0.0167886100000000, 0.0042955700000000 ] - [ 0.0001565700000000, -0.0066252400000000, 0.0028484800000000 ] - [ 0.0002042800000000, 0.0040713800000000, -0.0020195000000000 ] - [ -0.0000486400000000, -0.0006126500000000, -0.0006672000000000 ] - [ -0.0000562500000000, 0.0001433900000000, -0.0004244200000000 ] - [ 0.0003303000000000, -0.0017025100000000, -0.0010766900000000 ] - [ -0.0001165400000000, 0.0012685200000000, 0.0003482000000000 ] - [ -0.0003478200000000, -0.0025253700000000, 0.0019074500000000 ] - [ -0.0000220600000000, 0.0053947900000000, 0.0006985100000000 ] - [ -0.0002554700000000, -0.0055110500000000, 0.0024610500000000 ] - [ -0.0002528500000000, 0.0035814300000000, -0.0009808000000000 ] - [ 0.0001008900000000, -0.0001849600000000, -0.0000471600000000 ] - [ -0.0000005300000000, 0.0000316000000000, -0.0006943900000000 ] - [ 0.0000301400000000, -0.0014040200000000, -0.0001609700000000 ] - [ 0.0004743500000000, 0.0014490700000000, -0.0007145200000000 ] - [ 0.0031512700000000, -0.0019220900000000, -0.0041721100000000 ] - [ -0.0009012000000000, 0.0046977600000000, 0.0030149500000000 ] - [ -0.0026601900000000, -0.0022940500000000, 0.0027558800000000 ] - [ 0.0007320100000000, 0.0028377200000000, -0.0041732800000000 ] - [ -0.0214314800000000, -0.0257053700000000, 0.0038285300000000 ] - [ -0.0019059100000000, 0.0081693300000000, 0.0009678200000000 ] - [ -0.0031550700000000, -0.0020691000000000, -0.0040896200000000 ] - [ 0.0005437200000000, 0.0045383100000000, 0.0030404500000000 ] - [ 0.0000493200000000, -0.0016544100000000, -0.0003784000000000 ] - [ -0.0003898100000000, 0.0013610100000000, -0.0006903800000000 ] - [ 0.0214759600000000, -0.0250106300000000, 0.0028511500000000 ] - [ 0.0020919800000000, 0.0077932100000000, 0.0013433800000000 ] - [ 0.0028709200000000, -0.0021806600000000, 0.0028518400000000 ] - [ -0.0009828400000000, 0.0034728900000000, -0.0050434600000000 ] - [ 0.0001222000000000, 0.0002921700000000, -0.0000241000000000 ] - [ 0.0000665500000000, -0.0006544300000000, 0.0004988800000000 ] - [ -0.0004307100000000, 0.0026030200000000, 0.0005394600000000 ] - [ 0.0003054800000000, -0.0024619600000000, -0.0002015000000000 ] - [ 0.0001062500000000, -0.0001743000000000, -0.0044137200000000 ] - [ -0.0000602300000000, -0.0014714100000000, 0.0012330400000000 ] - [ -0.0025224500000000, 0.0914626900000000, -0.0143527700000000 ] - [ -0.0002660400000000, -0.0045548700000000, 0.0003771200000000 ] - [ 0.0000113500000000, 0.0003980100000000, 0.0002996700000000 ] - [ -0.0001572700000000, -0.0003128900000000, 0.0004922600000000 ] - [ 0.0049309200000000, -0.0047795500000000, -0.0089595200000000 ] - [ -0.0050150400000000, -0.0036333800000000, 0.0039372100000000 ] - [ -0.0000863900000000, -0.0009211100000000, 0.0018577100000000 ] - [ -0.0000792200000000, 0.0007968100000000, -0.0008769800000000 ] - [ -0.0001721200000000, 0.0006432500000000, 0.0013342800000000 ] - [ 0.0000163700000000, -0.0008101900000000, -0.0006410600000000 ] - [ 0.0062479100000000, -0.0037531200000000, -0.0043537800000000 ] - [ -0.0058821900000000, -0.0070376400000000, 0.0031065300000000 ] - [ -0.0001731400000000, 0.0009127400000000, 0.0084854300000000 ] - [ -0.0000693400000000, -0.0024405100000000, -0.0014949500000000 ] - [ -0.0001724900000000, 0.0005847100000000, -0.0002311700000000 ] - [ -0.0001733400000000, -0.0008535900000000, 0.0003251500000000 ] - [ 0.0005369200000000, 0.0010962200000000, -0.0004588300000000 ] - [ -0.0001174700000000, -0.0009965700000000, 0.0009963500000000 ] - [ 0.0075877800000000, 0.0052025200000000, 0.0010537500000000 ] - [ 0.0000937700000000, -0.0032171200000000, -0.0000567600000000 ] - [ 0.0012847300000000, 0.0078045100000000, 0.0034786900000000 ] - [ 0.0005743300000000, -0.0030464600000000, -0.0012308800000000 ] - [ -0.0000671900000000, -0.0009886600000000, 0.0018825700000000 ] - [ 0.0000569400000000, 0.0007664300000000, -0.0007873300000000 ] - [ -0.0044322100000000, -0.0044513100000000, -0.0084390200000000 ] - [ 0.0054702100000000, -0.0040160600000000, 0.0052015000000000 ] - [ -0.0001056900000000, 0.0003157800000000, 0.0005521300000000 ] - [ -0.0000280000000000, -0.0001873500000000, 0.0002289600000000 ] - [ 0.0001399300000000, 0.0001925300000000, -0.0006934400000000 ] - [ 0.0002776000000000, -0.0004394800000000, 0.0016888500000000 ] - [ 0.0005151900000000, -0.0042633500000000, -0.0058247300000000 ] - [ 0.0000753800000000, -0.0012896500000000, -0.0001022300000000 ] - [ 0.0004925300000000, 0.0028008200000000, 0.0005003900000000 ] - [ -0.0002093100000000, -0.0025648200000000, 0.0000800900000000 ] - [ 0.0000591000000000, 0.0004282200000000, -0.0000679300000000 ] - [ 0.0002096200000000, -0.0008303100000000, 0.0002922600000000 ] - [ -0.0017140100000000, 0.0077105200000000, 0.0030379000000000 ] - [ -0.0005500500000000, -0.0030990500000000, -0.0012766300000000 ] - [ -0.0064213800000000, 0.0052169200000000, 0.0008518900000000 ] - [ -0.0001220700000000, -0.0031083700000000, 0.0000902000000000 ] - [ -0.0004804000000000, 0.0011975900000000, -0.0006356100000000 ] - [ 0.0003529600000000, -0.0012175000000000, 0.0008863000000000 ] - [ 0.0003535200000000, -0.0003749800000000, 0.0003458800000000 ] - [ 0.0002843100000000, -0.0003918100000000, -0.0012888400000000 ] - [ -0.0000195300000000, 0.0004430200000000, 0.0000357200000000 ] - [ -0.0000423800000000, -0.0003102800000000, 0.0001558000000000 ] - [ -0.0056474000000000, -0.0035773800000000, -0.0040339900000000 ] - [ 0.0063722800000000, -0.0079208900000000, 0.0040294400000000 ] - [ -0.0001977800000000, 0.0004374800000000, 0.0010823600000000 ] - [ -0.0002241300000000, -0.0006873400000000, -0.0004344100000000 ]- atom: 39 displacement: [ -0.0014701282124378, 0.0000000000000000, 0.0098913458659069 ] forces: - [ -0.0005308200000000, 0.0005897600000000, -0.0043431800000000 ] - [ -0.0002600700000000, -0.0002265400000000, -0.0010159600000000 ] - [ -0.0024625600000000, -0.0055904900000000, 0.0100217400000000 ] - [ -0.0014497000000000, -0.0006994800000000, 0.0055323500000000 ] - [ -0.0010176300000000, -0.0030957000000000, -0.0112243100000000 ] - [ -0.0000363600000000, 0.0009315400000000, -0.0002895200000000 ] - [ 0.0000525300000000, -0.0003779600000000, -0.0021383000000000 ] - [ -0.0000300000000000, -0.0003301400000000, -0.0018092800000000 ] - [ 0.0008902400000000, 0.0003106200000000, -0.0019820300000000 ] - [ 0.0002891000000000, -0.0003816400000000, -0.0004079800000000 ] - [ 0.0015722800000000, -0.0011389200000000, 0.0047579900000000 ] - [ 0.0007899000000000, 0.0022532400000000, 0.0018724500000000 ] - [ 0.0007429100000000, -0.0010066600000000, 0.0009837400000000 ] - [ 0.0000093100000000, 0.0008848400000000, 0.0005981200000000 ] - [ -0.0001930300000000, -0.0003539200000000, -0.0016314800000000 ] - [ -0.0000469500000000, 0.0000195400000000, -0.0014258600000000 ] - [ 0.0006003600000000, 0.0000607800000000, -0.0028060800000000 ] - [ 0.0003379500000000, 0.0004078800000000, -0.0021079700000000 ] - [ 0.0021857800000000, 0.0028286800000000, -0.0029783400000000 ] - [ 0.0004635100000000, -0.0034556900000000, -0.0012698500000000 ] - [ 0.0021200500000000, -0.0050717600000000, -0.0011120900000000 ] - [ 0.0006797700000000, 0.0027775300000000, -0.0018634300000000 ] - [ -0.0132964200000000, -0.0035870400000000, 0.0171054500000000 ] - [ -0.0006378600000000, 0.0009545200000000, 0.0019164400000000 ] - [ -0.0026228900000000, 0.0015968200000000, -0.0009913100000000 ] - [ -0.0002628400000000, -0.0020162200000000, -0.0002745700000000 ] - [ -0.0004668700000000, -0.0002561500000000, -0.0022789900000000 ] - [ -0.0002307500000000, 0.0001612700000000, -0.0016714300000000 ] - [ -0.0036791400000000, 0.0003131000000000, 0.0130164300000000 ] - [ 0.0007487600000000, 0.0007573000000000, 0.0021356000000000 ] - [ -0.0028740200000000, -0.0029941200000000, 0.0002036700000000 ] - [ -0.0005571600000000, 0.0014764500000000, -0.0005999600000000 ] - [ 0.0000528700000000, -0.0003186700000000, 0.0014878600000000 ] - [ 0.0000775700000000, -0.0003723900000000, 0.0009581800000000 ] - [ -0.0005139200000000, 0.0005130900000000, 0.0013269400000000 ] - [ -0.0001752000000000, 0.0011865900000000, 0.0004629100000000 ] - [ 0.0006195000000000, 0.0040167300000000, 0.0043512100000000 ] - [ 0.0004307700000000, -0.0007474900000000, 0.0004071100000000 ] - [ 0.0364305700000000, 0.0137826200000000, -0.0366432400000000 ] - [ -0.0000817400000000, -0.0001745400000000, -0.0003833400000000 ] - [ -0.0000751400000000, 0.0000156900000000, 0.0016900900000000 ] - [ -0.0001159400000000, 0.0001539200000000, 0.0012598400000000 ] - [ -0.0065724300000000, 0.0083481300000000, 0.0037330900000000 ] - [ -0.0003475500000000, -0.0012194600000000, -0.0008316100000000 ] - [ 0.0000044100000000, -0.0010127000000000, 0.0018310800000000 ] - [ -0.0002331400000000, 0.0002204000000000, 0.0016642600000000 ] - [ -0.0007666400000000, -0.0012074100000000, 0.0012807200000000 ] - [ -0.0000590900000000, 0.0013684300000000, 0.0005067900000000 ] - [ 0.0012866200000000, 0.0008505900000000, -0.0025155100000000 ] - [ -0.0015899300000000, -0.0059817600000000, -0.0004825500000000 ] - [ 0.0003734700000000, -0.0051657900000000, 0.0055921300000000 ] - [ 0.0001750100000000, 0.0004859900000000, -0.0005074900000000 ] - [ -0.0001550900000000, -0.0004254000000000, 0.0013114900000000 ] - [ -0.0001463300000000, -0.0003808400000000, 0.0004566000000000 ] - [ -0.0001928900000000, 0.0002756800000000, 0.0015104900000000 ] - [ -0.0000083900000000, -0.0003061500000000, 0.0011532200000000 ] - [ 0.0052317400000000, 0.0006048800000000, -0.0033167900000000 ] - [ 0.0001050500000000, -0.0000360000000000, -0.0013528800000000 ] - [ -0.0059089300000000, 0.0033413400000000, 0.0022228300000000 ] - [ 0.0001320300000000, -0.0012580500000000, -0.0010647400000000 ] - [ 0.0000467200000000, -0.0006763000000000, 0.0014614800000000 ] - [ 0.0002825300000000, 0.0003572900000000, 0.0013696200000000 ] - [ 0.0050309500000000, 0.0052049500000000, 0.0010216400000000 ] - [ 0.0007047300000000, -0.0009778700000000, -0.0005072600000000 ] - [ -0.0001005200000000, 0.0001081600000000, 0.0016501000000000 ] - [ -0.0000638600000000, 0.0001673500000000, 0.0010794100000000 ] - [ -0.0001696300000000, 0.0009000800000000, -0.0005420800000000 ] - [ -0.0002933200000000, -0.0006979200000000, 0.0003603400000000 ] - [ -0.0097116800000000, -0.0024293700000000, -0.0027705400000000 ] - [ -0.0000833700000000, 0.0002047700000000, -0.0008741500000000 ] - [ 0.0006299300000000, 0.0003308100000000, 0.0008721200000000 ] - [ 0.0001463800000000, 0.0007569100000000, 0.0003386400000000 ] - [ 0.0002576400000000, -0.0004855700000000, 0.0006986900000000 ] - [ 0.0002227600000000, -0.0004595200000000, 0.0005333900000000 ] - [ 0.0027240600000000, -0.0005341400000000, -0.0027760800000000 ] - [ -0.0003392100000000, -0.0008888200000000, -0.0010467800000000 ] - [ -0.0090792000000000, -0.0026106500000000, 0.0007901500000000 ] - [ -0.0002949700000000, 0.0003565100000000, -0.0012555000000000 ] - [ 0.0004113500000000, 0.0002646600000000, 0.0006012000000000 ] - [ 0.0001017200000000, -0.0000770500000000, 0.0003644700000000 ] - [ -0.0001168800000000, -0.0010748300000000, -0.0000090900000000 ] - [ -0.0000502200000000, 0.0005298100000000, 0.0000013200000000 ] - [ -0.0000671000000000, 0.0002326000000000, 0.0006555200000000 ] - [ -0.0000654400000000, 0.0001275600000000, 0.0005778000000000 ] - [ -0.0009944500000000, 0.0004748100000000, -0.0023254100000000 ] - [ 0.0018967600000000, -0.0011579900000000, -0.0018547500000000 ] - [ 0.0001024800000000, -0.0007243900000000, 0.0008014000000000 ] - [ 0.0000671700000000, 0.0004793100000000, 0.0007535400000000 ]- atom: 39 displacement: [ 0.0014701282124378, 0.0000000000000000, -0.0098913458659069 ] forces: - [ 0.0004999600000000, -0.0007472700000000, 0.0044784700000000 ] - [ 0.0002262400000000, 0.0000711500000000, 0.0011261100000000 ] - [ 0.0026652800000000, 0.0060894100000000, -0.0097987900000000 ] - [ 0.0016452000000000, 0.0011756100000000, -0.0052385100000000 ] - [ 0.0011235100000000, 0.0030352700000000, 0.0110026900000000 ] - [ 0.0001518500000000, -0.0009542900000000, 0.0001792500000000 ] - [ -0.0001314600000000, -0.0000531900000000, 0.0018549400000000 ] - [ -0.0000490200000000, -0.0001081600000000, 0.0015253300000000 ] - [ -0.0008187200000000, -0.0007463800000000, 0.0022572100000000 ] - [ -0.0002125600000000, -0.0000505700000000, 0.0006855600000000 ] - [ -0.0016902200000000, 0.0011044700000000, -0.0046504500000000 ] - [ -0.0009098800000000, -0.0022518600000000, -0.0017553800000000 ] - [ -0.0009309900000000, 0.0014622300000000, -0.0012212100000000 ] - [ -0.0002010100000000, -0.0004330800000000, -0.0008627500000000 ] - [ 0.0002287800000000, 0.0001973800000000, 0.0015175600000000 ] - [ 0.0000823000000000, -0.0001805500000000, 0.0013099900000000 ] - [ -0.0002797800000000, -0.0001033100000000, 0.0027858400000000 ] - [ -0.0000224400000000, -0.0004496200000000, 0.0020888600000000 ] - [ -0.0023204400000000, -0.0029547000000000, 0.0028941900000000 ] - [ -0.0006218400000000, 0.0032947300000000, 0.0011799500000000 ] - [ -0.0019574000000000, 0.0047259800000000, 0.0012711900000000 ] - [ -0.0005151200000000, -0.0031485600000000, 0.0020119000000000 ] - [ 0.0131730800000000, 0.0036978200000000, -0.0172485800000000 ] - [ 0.0007514100000000, -0.0007796300000000, -0.0023288600000000 ] - [ 0.0024778600000000, -0.0014124200000000, 0.0014178100000000 ] - [ 0.0001428100000000, 0.0021815900000000, 0.0006925200000000 ] - [ 0.0002926000000000, -0.0001040400000000, 0.0021165700000000 ] - [ 0.0000608800000000, -0.0005205700000000, 0.0015107500000000 ] - [ 0.0042842900000000, -0.0005674600000000, -0.0129240600000000 ] - [ -0.0005833200000000, -0.0009002500000000, -0.0020407700000000 ] - [ 0.0025718800000000, 0.0029478000000000, -0.0001959500000000 ] - [ 0.0002445600000000, -0.0015167000000000, 0.0005929300000000 ] - [ 0.0002035200000000, 0.0000404400000000, -0.0014041000000000 ] - [ 0.0001798900000000, 0.0000960400000000, -0.0008723900000000 ] - [ 0.0005909800000000, -0.0002452100000000, -0.0014451400000000 ] - [ 0.0002601000000000, -0.0009094800000000, -0.0005802800000000 ] - [ -0.0005780200000000, -0.0040287600000000, -0.0042824300000000 ] - [ -0.0003889100000000, 0.0007696200000000, -0.0002980400000000 ] - [ -0.0371977300000000, -0.0136227700000000, 0.0368534100000000 ] - [ -0.0004216300000000, 0.0002137300000000, 0.0007543100000000 ] - [ -0.0000682000000000, 0.0000073200000000, -0.0013182400000000 ] - [ -0.0000271500000000, -0.0001337300000000, -0.0008877000000000 ] - [ 0.0063279300000000, -0.0080921800000000, -0.0039799000000000 ] - [ 0.0001996000000000, 0.0013843500000000, 0.0005436500000000 ] - [ 0.0000828300000000, 0.0012916800000000, -0.0013346100000000 ] - [ 0.0003190000000000, 0.0000683200000000, -0.0011656800000000 ] - [ 0.0006123400000000, 0.0010065400000000, -0.0012177800000000 ] - [ -0.0001038600000000, -0.0015853600000000, -0.0004395100000000 ] - [ -0.0012538000000000, -0.0005472100000000, 0.0024991900000000 ] - [ 0.0016380200000000, 0.0062771300000000, 0.0004763200000000 ] - [ -0.0004364100000000, 0.0050579500000000, -0.0053945700000000 ] - [ -0.0002378400000000, -0.0004948000000000, 0.0006270600000000 ] - [ -0.0001943100000000, 0.0001344600000000, -0.0016602500000000 ] - [ -0.0002033400000000, 0.0000937000000000, -0.0008155700000000 ] - [ 0.0003441700000000, -0.0001908200000000, -0.0016266100000000 ] - [ 0.0001578900000000, 0.0003918400000000, -0.0012673600000000 ] - [ -0.0054164800000000, -0.0006137700000000, 0.0033450700000000 ] - [ -0.0002708000000000, 0.0000147500000000, 0.0014220500000000 ] - [ 0.0061504700000000, -0.0031729500000000, -0.0027119200000000 ] - [ 0.0000462100000000, 0.0014225100000000, 0.0005695100000000 ] - [ -0.0002199400000000, 0.0008389300000000, -0.0009618700000000 ] - [ -0.0004526000000000, -0.0001841400000000, -0.0008679900000000 ] - [ -0.0048102900000000, -0.0051790100000000, -0.0010974800000000 ] - [ -0.0005468300000000, 0.0009617000000000, 0.0004162200000000 ] - [ -0.0000483200000000, -0.0000225700000000, -0.0015308700000000 ] - [ -0.0000854400000000, -0.0000834800000000, -0.0009606100000000 ] - [ 0.0005219100000000, -0.0011894700000000, 0.0009033400000000 ] - [ 0.0006464900000000, 0.0004108800000000, 0.0000071400000000 ] - [ 0.0098707400000000, 0.0023792100000000, 0.0025723500000000 ] - [ 0.0001477600000000, -0.0002158500000000, 0.0007489900000000 ] - [ -0.0006551300000000, -0.0000333800000000, -0.0008523600000000 ] - [ -0.0001812500000000, -0.0004541700000000, -0.0003174700000000 ] - [ -0.0000929500000000, 0.0002719700000000, -0.0007649600000000 ] - [ -0.0000587000000000, 0.0002478600000000, -0.0005997100000000 ] - [ -0.0028218900000000, 0.0008373900000000, 0.0023152600000000 ] - [ 0.0002468200000000, 0.0011676300000000, 0.0005547100000000 ] - [ 0.0091809000000000, 0.0027637100000000, -0.0005463300000000 ] - [ 0.0004507200000000, -0.0001925300000000, 0.0015196500000000 ] - [ -0.0002713000000000, -0.0002430400000000, -0.0009685200000000 ] - [ 0.0000412200000000, 0.0000963100000000, -0.0007299600000000 ] - [ 0.0006170700000000, 0.0011096900000000, -0.0003670500000000 ] - [ 0.0005502500000000, -0.0004947100000000, -0.0003765000000000 ] - [ 0.0000210800000000, -0.0002069100000000, -0.0007588700000000 ] - [ 0.0000197500000000, -0.0001030700000000, -0.0006813300000000 ] - [ 0.0009090400000000, -0.0002010800000000, 0.0024461700000000 ] - [ -0.0019801300000000, 0.0013876500000000, 0.0019936200000000 ] - [ -0.0003645300000000, 0.0004530600000000, -0.0008826300000000 ] - [ -0.0003271900000000, -0.0007567200000000, -0.0008357100000000 ]- atom: 41 displacement: [ 0.0099999999959232, 0.0000000000000000, 0.0000002855446085 ] forces: - [ 0.0116381100000000, 0.0007616600000000, 0.0005107200000000 ] - [ 0.0018579200000000, -0.0002584500000000, 0.0001361000000000 ] - [ 0.0003069600000000, 0.0001727200000000, 0.0003608100000000 ] - [ 0.0004962000000000, 0.0002226100000000, 0.0003861900000000 ] - [ 0.0001415400000000, 0.0004513800000000, 0.0012994800000000 ] - [ 0.0000969300000000, -0.0006088300000000, 0.0009195500000000 ] - [ 0.0006992000000000, 0.0008296400000000, -0.0005579100000000 ] - [ 0.0041122600000000, -0.0007572700000000, -0.0020862100000000 ] - [ -0.0046597800000000, 0.0000302800000000, -0.0009238300000000 ] - [ -0.0017781200000000, -0.0005957300000000, -0.0001725500000000 ] - [ -0.0003467000000000, -0.0000500400000000, 0.0000234100000000 ] - [ -0.0005506200000000, 0.0000556300000000, 0.0001717400000000 ] - [ -0.0004837800000000, 0.0005778200000000, -0.0018070000000000 ] - [ -0.0001649700000000, 0.0000056400000000, 0.0000369000000000 ] - [ -0.0007753400000000, -0.0015297600000000, -0.0000549800000000 ] - [ -0.0017825500000000, 0.0109708000000000, -0.0025812000000000 ] - [ 0.0216712600000000, 0.0104523000000000, 0.0091625800000000 ] - [ 0.0019569400000000, -0.0004653900000000, -0.0009629900000000 ] - [ 0.0006379800000000, -0.0017429900000000, -0.0003542400000000 ] - [ 0.0009402700000000, -0.0003980400000000, 0.0008905700000000 ] - [ 0.0008210300000000, 0.0000042000000000, -0.0003662900000000 ] - [ 0.0000222300000000, -0.0024667400000000, -0.0036657600000000 ] - [ -0.0001106400000000, 0.0006331500000000, -0.0009347300000000 ] - [ 0.0001666000000000, -0.0002491100000000, -0.0003496100000000 ] - [ -0.0005984100000000, -0.0005328800000000, 0.0002764100000000 ] - [ -0.0009639000000000, 0.0000888000000000, 0.0006117500000000 ] - [ -0.0124673000000000, -0.0014706900000000, 0.0021872300000000 ] - [ -0.0018421900000000, -0.0007096900000000, -0.0004713000000000 ] - [ 0.0002567300000000, 0.0000103200000000, 0.0006109200000000 ] - [ 0.0001908800000000, -0.0001022600000000, 0.0006080500000000 ] - [ -0.0007402600000000, -0.0005525800000000, 0.0004119400000000 ] - [ -0.0003360600000000, 0.0033162500000000, 0.0042918900000000 ] - [ -0.0041519600000000, 0.0040730700000000, -0.0002910000000000 ] - [ -0.0048488100000000, -0.0032672000000000, 0.0010507100000000 ] - [ 0.0017783500000000, 0.0020641500000000, 0.0043995800000000 ] - [ -0.0002817800000000, 0.0003443800000000, -0.0000391600000000 ] - [ -0.0000803800000000, 0.0016008700000000, -0.0011349600000000 ] - [ -0.0021337600000000, -0.0000365200000000, 0.0000600600000000 ] - [ -0.0005114800000000, -0.0000640900000000, 0.0001440200000000 ] - [ -0.0004823700000000, 0.0001061800000000, 0.0001069900000000 ] - [ -0.0618589600000000, -0.0246030700000000, -0.0127975100000000 ] - [ -0.0004022200000000, 0.0005808400000000, 0.0003863000000000 ] - [ -0.0002143000000000, -0.0002101300000000, -0.0006762500000000 ] - [ -0.0002746500000000, 0.0003753300000000, -0.0001544900000000 ] - [ -0.0004349600000000, 0.0007326400000000, -0.0000498700000000 ] - [ -0.0038421600000000, -0.0004088700000000, -0.0041254600000000 ] - [ 0.0013498700000000, -0.0008741400000000, 0.0074793800000000 ] - [ -0.0002421700000000, 0.0002130700000000, 0.0001563900000000 ] - [ -0.0000806800000000, 0.0002545800000000, 0.0000058100000000 ] - [ 0.0000314500000000, 0.0001700100000000, 0.0009597700000000 ] - [ -0.0001373700000000, -0.0001322000000000, -0.0001739900000000 ] - [ 0.0000205400000000, -0.0000710200000000, -0.0002170500000000 ] - [ 0.0012269000000000, -0.0045003400000000, -0.0043066400000000 ] - [ -0.0005824200000000, 0.0044841000000000, -0.0026936600000000 ] - [ -0.0000321100000000, -0.0008759400000000, 0.0004850600000000 ] - [ 0.0006471300000000, 0.0025283600000000, 0.0042014600000000 ] - [ 0.0000581700000000, -0.0000151800000000, 0.0002049900000000 ] - [ 0.0000184600000000, 0.0000463700000000, -0.0000435300000000 ] - [ 0.0002744200000000, -0.0004080400000000, 0.0000597800000000 ] - [ 0.0003230900000000, 0.0005328600000000, 0.0004184400000000 ] - [ 0.0003294300000000, 0.0005181300000000, 0.0000492700000000 ] - [ 0.0017329900000000, -0.0007678100000000, -0.0010423400000000 ] - [ 0.0002481400000000, -0.0001749100000000, -0.0001645700000000 ] - [ 0.0002060000000000, 0.0002101400000000, -0.0000697900000000 ] - [ 0.0088662600000000, -0.0017725400000000, -0.0005695300000000 ] - [ 0.0002696300000000, 0.0003571900000000, 0.0001892500000000 ] - [ 0.0004246700000000, -0.0000197300000000, 0.0001831900000000 ] - [ 0.0023795600000000, -0.0002470700000000, -0.0000274100000000 ] - [ 0.0002149000000000, -0.0001144200000000, 0.0001203500000000 ] - [ 0.0001933300000000, 0.0000703700000000, -0.0001546000000000 ] - [ 0.0014272000000000, 0.0008281400000000, 0.0004671100000000 ] - [ 0.0002449400000000, 0.0002192400000000, -0.0000954700000000 ] - [ 0.0010684800000000, 0.0004157000000000, -0.0002296000000000 ] - [ 0.0141749700000000, -0.0033004200000000, 0.0035562200000000 ] - [ 0.0001393900000000, 0.0002319500000000, -0.0005202900000000 ] - [ 0.0003209500000000, -0.0005701300000000, -0.0011864200000000 ] - [ 0.0000156400000000, 0.0001755400000000, 0.0004628600000000 ] - [ 0.0000011700000000, 0.0002973400000000, -0.0003474900000000 ] - [ 0.0004789700000000, 0.0005082800000000, -0.0006411300000000 ] - [ 0.0004732200000000, -0.0024545400000000, -0.0020901500000000 ] - [ 0.0004540400000000, 0.0003052600000000, -0.0001255100000000 ] - [ 0.0001127200000000, -0.0005316500000000, 0.0001351600000000 ] - [ 0.0165843700000000, 0.0066579800000000, 0.0124859400000000 ] - [ 0.0001230700000000, 0.0005786500000000, 0.0000059500000000 ] - [ 0.0000066000000000, 0.0002993500000000, -0.0002146500000000 ] - [ -0.0001789100000000, 0.0001895500000000, -0.0008303700000000 ] - [ 0.0062419100000000, -0.0006161300000000, -0.0103711000000000 ] - [ -0.0001018500000000, -0.0000262300000000, 0.0000022900000000 ]- atom: 41 displacement: [ -0.0099999999959232, 0.0000000000000000, -0.0000002855446085 ] forces: - [ -0.0116440400000000, -0.0009021200000000, -0.0003361300000000 ] - [ -0.0018930500000000, 0.0000812000000000, -0.0000220600000000 ] - [ -0.0001104100000000, 0.0002766000000000, -0.0000868000000000 ] - [ -0.0003010600000000, 0.0002336900000000, -0.0001207900000000 ] - [ 0.0000139100000000, -0.0004708400000000, -0.0014178300000000 ] - [ 0.0000284800000000, 0.0005721700000000, -0.0010146000000000 ] - [ -0.0007404500000000, -0.0012863100000000, 0.0002751500000000 ] - [ -0.0035600900000000, 0.0009023700000000, 0.0015908200000000 ] - [ 0.0047504500000000, -0.0004332400000000, 0.0011681400000000 ] - [ 0.0018581800000000, 0.0001355500000000, 0.0004350700000000 ] - [ 0.0002261700000000, 0.0000207200000000, 0.0000911200000000 ] - [ 0.0004330900000000, -0.0000797600000000, -0.0000629900000000 ] - [ 0.0002532300000000, -0.0001069800000000, 0.0015300200000000 ] - [ -0.0000357100000000, 0.0004416100000000, -0.0003017400000000 ] - [ 0.0007709300000000, 0.0013406000000000, -0.0000604800000000 ] - [ 0.0010156300000000, -0.0107443400000000, 0.0025386700000000 ] - [ -0.0211088800000000, -0.0102780500000000, -0.0091411000000000 ] - [ -0.0016164100000000, 0.0004010700000000, 0.0009463000000000 ] - [ -0.0007890100000000, 0.0015258900000000, 0.0002413000000000 ] - [ -0.0011229300000000, 0.0002981200000000, -0.0010139600000000 ] - [ -0.0006259900000000, -0.0003828200000000, 0.0005235300000000 ] - [ 0.0001646000000000, 0.0021475900000000, 0.0038123800000000 ] - [ 0.0002250100000000, -0.0004504500000000, 0.0005212300000000 ] - [ -0.0000521900000000, 0.0004145500000000, -0.0000633300000000 ] - [ 0.0004813200000000, 0.0007003600000000, 0.0001480600000000 ] - [ 0.0008452000000000, 0.0000878500000000, -0.0001683900000000 ] - [ 0.0123254500000000, 0.0011879300000000, -0.0023015800000000 ] - [ 0.0016521600000000, 0.0002697200000000, 0.0003345300000000 ] - [ -0.0000913400000000, -0.0001401400000000, -0.0005340500000000 ] - [ -0.0000281800000000, -0.0000522200000000, -0.0005239100000000 ] - [ 0.0003980800000000, 0.0004945900000000, -0.0003953200000000 ] - [ 0.0000107500000000, -0.0033693600000000, -0.0043203300000000 ] - [ 0.0044656500000000, -0.0042443200000000, 0.0003473200000000 ] - [ 0.0051278600000000, 0.0029367900000000, -0.0009543100000000 ] - [ -0.0016860900000000, -0.0017112400000000, -0.0043042300000000 ] - [ 0.0003675100000000, -0.0000858700000000, -0.0000840000000000 ] - [ 0.0001183800000000, -0.0015177200000000, 0.0011952500000000 ] - [ 0.0021872900000000, 0.0000589600000000, 0.0000453200000000 ] - [ 0.0000062000000000, 0.0001009300000000, 0.0002278300000000 ] - [ -0.0000215900000000, -0.0000654200000000, 0.0002651100000000 ] - [ 0.0618331000000000, 0.0233797400000000, 0.0131344300000000 ] - [ 0.0002560400000000, -0.0005415800000000, -0.0000137900000000 ] - [ 0.0000526800000000, 0.0003665600000000, 0.0004186200000000 ] - [ 0.0001106300000000, -0.0002012700000000, -0.0001086400000000 ] - [ 0.0005146100000000, -0.0004277700000000, 0.0005320100000000 ] - [ 0.0038869900000000, 0.0006278400000000, 0.0047257500000000 ] - [ -0.0015752600000000, 0.0006275300000000, -0.0073922500000000 ] - [ 0.0000751400000000, -0.0004090800000000, -0.0000820800000000 ] - [ 0.0001127800000000, 0.0000503700000000, -0.0000332300000000 ] - [ 0.0000032500000000, 0.0001234000000000, -0.0009769100000000 ] - [ 0.0000593500000000, 0.0001261000000000, 0.0002985300000000 ] - [ -0.0000958600000000, 0.0000527200000000, 0.0003390800000000 ] - [ -0.0016372000000000, 0.0041760000000000, 0.0039126400000000 ] - [ 0.0002007100000000, -0.0046897500000000, 0.0022771400000000 ] - [ 0.0001617900000000, 0.0009566900000000, -0.0006002600000000 ] - [ -0.0005093000000000, -0.0024318400000000, -0.0042553400000000 ] - [ -0.0002239800000000, -0.0000056400000000, -0.0001312800000000 ] - [ -0.0001860500000000, -0.0000671200000000, 0.0001147900000000 ] - [ -0.0001010300000000, 0.0005706700000000, -0.0005586600000000 ] - [ -0.0001493000000000, -0.0003643400000000, -0.0009108400000000 ] - [ -0.0005074100000000, -0.0003328700000000, 0.0004334100000000 ] - [ -0.0019114600000000, 0.0009245300000000, 0.0015069500000000 ] - [ -0.0000828500000000, 0.0001450000000000, 0.0000872700000000 ] - [ -0.0000382000000000, -0.0002276200000000, -0.0000086000000000 ] - [ -0.0089664000000000, 0.0018075300000000, 0.0006966100000000 ] - [ -0.0004183300000000, -0.0002514400000000, -0.0000589100000000 ] - [ -0.0000741000000000, -0.0002594600000000, 0.0001763600000000 ] - [ -0.0020412700000000, -0.0000426500000000, 0.0003940400000000 ] - [ -0.0001488600000000, 0.0000985000000000, -0.0002393200000000 ] - [ -0.0001281600000000, -0.0000785400000000, 0.0000296600000000 ] - [ -0.0014642300000000, -0.0005392600000000, -0.0004622700000000 ] - [ -0.0002766500000000, 0.0000803700000000, 0.0001018000000000 ] - [ -0.0009027800000000, -0.0006502300000000, 0.0001670000000000 ] - [ -0.0140456700000000, 0.0031856000000000, -0.0036937800000000 ] - [ -0.0002275100000000, 0.0000471400000000, 0.0000291500000000 ] - [ -0.0004130200000000, 0.0008630000000000, 0.0007073100000000 ] - [ 0.0001443100000000, -0.0000139300000000, -0.0001701200000000 ] - [ 0.0001589700000000, -0.0001404600000000, 0.0006252500000000 ] - [ -0.0003160900000000, -0.0004893700000000, 0.0002685000000000 ] - [ -0.0003218600000000, 0.0025012500000000, 0.0017596900000000 ] - [ 0.0000621500000000, -0.0002574200000000, -0.0002450600000000 ] - [ 0.0004058400000000, 0.0005670600000000, -0.0005115800000000 ] - [ -0.0167465800000000, -0.0067556100000000, -0.0128252600000000 ] - [ -0.0001508000000000, -0.0005378100000000, -0.0001106400000000 ] - [ -0.0000903200000000, -0.0000238900000000, 0.0003267200000000 ] - [ 0.0000930500000000, 0.0000716500000000, 0.0009610400000000 ] - [ -0.0065244700000000, 0.0003170800000000, 0.0104389700000000 ] - [ -0.0001544500000000, -0.0002350700000000, -0.0000831400000000 ]- atom: 41 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0032835200000000, 0.0185754700000000, -0.0009262900000000 ] - [ -0.0000987500000000, -0.0060431400000000, -0.0046715900000000 ] - [ 0.0003880500000000, -0.0002447100000000, 0.0003446300000000 ] - [ 0.0000672000000000, 0.0006254200000000, -0.0003091500000000 ] - [ 0.0014365900000000, 0.0035344600000000, -0.0024228400000000 ] - [ 0.0002052600000000, -0.0016637700000000, 0.0020288700000000 ] - [ 0.0035738900000000, -0.0065960700000000, 0.0003778100000000 ] - [ -0.0056482800000000, 0.0085224800000000, -0.0010156600000000 ] - [ 0.0004269100000000, 0.0027138300000000, 0.0001709200000000 ] - [ -0.0003170700000000, -0.0032883600000000, -0.0016067300000000 ] - [ -0.0003616000000000, -0.0004494400000000, -0.0000562200000000 ] - [ -0.0000446500000000, 0.0003840700000000, -0.0005699500000000 ] - [ -0.0023066200000000, 0.0023064100000000, -0.0026321100000000 ] - [ -0.0001137700000000, -0.0008387000000000, 0.0009641400000000 ] - [ -0.0036773600000000, -0.0069977400000000, 0.0002377100000000 ] - [ 0.0076491800000000, 0.0078008500000000, 0.0014305400000000 ] - [ 0.0101393600000000, 0.0616425200000000, 0.0348282300000000 ] - [ -0.0000418300000000, -0.0109343400000000, 0.0056262400000000 ] - [ 0.0011688300000000, -0.0075971200000000, -0.0020501400000000 ] - [ 0.0004579700000000, 0.0013379200000000, 0.0022047100000000 ] - [ 0.0022910800000000, -0.0036019200000000, 0.0010308700000000 ] - [ -0.0011163900000000, 0.0038392000000000, -0.0048443300000000 ] - [ -0.0000336500000000, 0.0013021900000000, -0.0005298300000000 ] - [ 0.0002201700000000, -0.0012686800000000, -0.0005583000000000 ] - [ -0.0002634900000000, -0.0022924800000000, 0.0002158200000000 ] - [ -0.0004115300000000, 0.0017700500000000, 0.0018470800000000 ] - [ -0.0006304400000000, 0.0043509100000000, 0.0025614600000000 ] - [ -0.0004172600000000, -0.0082763700000000, 0.0021926800000000 ] - [ 0.0003946000000000, 0.0017966200000000, -0.0005686500000000 ] - [ -0.0001911700000000, -0.0016990000000000, -0.0004509500000000 ] - [ -0.0024988000000000, -0.0025617700000000, 0.0009996800000000 ] - [ 0.0009708400000000, 0.0014908000000000, -0.0034207700000000 ] - [ 0.0046446400000000, 0.0211356000000000, 0.0000545600000000 ] - [ -0.0031959900000000, 0.0241917300000000, -0.0029719400000000 ] - [ 0.0019338000000000, 0.0088151800000000, 0.0182827700000000 ] - [ -0.0002108000000000, 0.0001187100000000, -0.0020002900000000 ] - [ -0.0002787300000000, 0.0060214400000000, -0.0039999100000000 ] - [ -0.0001675000000000, -0.0003185900000000, 0.0016788000000000 ] - [ -0.0003634700000000, -0.0003673000000000, 0.0001735700000000 ] - [ -0.0003129200000000, 0.0003416700000000, 0.0003223900000000 ] - [ -0.0238941900000000, -0.1276416000000000, -0.0431431100000000 ] - [ 0.0004950300000000, 0.0059737300000000, 0.0011962800000000 ] - [ 0.0000122400000000, -0.0012970600000000, -0.0004040500000000 ] - [ -0.0004773400000000, 0.0016246700000000, 0.0005455800000000 ] - [ -0.0000097400000000, 0.0047249300000000, -0.0020621200000000 ] - [ -0.0007485700000000, -0.0075776300000000, -0.0050320900000000 ] - [ -0.0028140700000000, -0.0066172100000000, -0.0009515600000000 ] - [ 0.0005586800000000, 0.0029675400000000, 0.0011969600000000 ] - [ -0.0003068000000000, 0.0010737600000000, -0.0005648600000000 ] - [ 0.0000790200000000, -0.0007384600000000, 0.0009167700000000 ] - [ -0.0008951500000000, 0.0006486300000000, 0.0007103800000000 ] - [ 0.0000096800000000, -0.0003993300000000, -0.0003638200000000 ] - [ -0.0091556300000000, 0.0017919500000000, 0.0037167500000000 ] - [ 0.0000781700000000, 0.0044587500000000, -0.0035719000000000 ] - [ -0.0021622400000000, 0.0011651500000000, -0.0019009100000000 ] - [ 0.0017381100000000, 0.0019812900000000, 0.0063311600000000 ] - [ 0.0001170900000000, 0.0000795500000000, 0.0003521100000000 ] - [ -0.0000805200000000, 0.0000170800000000, -0.0001245900000000 ] - [ 0.0000171000000000, -0.0003368700000000, -0.0004268600000000 ] - [ 0.0000358700000000, 0.0005794000000000, 0.0007772200000000 ] - [ -0.0002461800000000, 0.0027421900000000, -0.0011290600000000 ] - [ 0.0006223100000000, -0.0027036700000000, -0.0010063100000000 ] - [ -0.0000455500000000, -0.0010243000000000, 0.0000205600000000 ] - [ 0.0001682700000000, 0.0008303800000000, -0.0001315000000000 ] - [ 0.0011147200000000, -0.0058813300000000, -0.0011618600000000 ] - [ -0.0000929500000000, 0.0031635200000000, 0.0011779800000000 ] - [ 0.0003296200000000, 0.0010773700000000, 0.0002297300000000 ] - [ -0.0000555000000000, -0.0009629300000000, 0.0007634100000000 ] - [ 0.0000805300000000, -0.0006670000000000, 0.0006326100000000 ] - [ 0.0000912600000000, 0.0005127300000000, -0.0002238300000000 ] - [ 0.0001476700000000, 0.0005312900000000, 0.0008121900000000 ] - [ 0.0002153300000000, 0.0000728300000000, -0.0016768500000000 ] - [ -0.0000114100000000, 0.0002552100000000, -0.0002352100000000 ] - [ 0.0043787200000000, 0.0080944600000000, -0.0041092600000000 ] - [ 0.0001306500000000, -0.0003083900000000, -0.0005294700000000 ] - [ -0.0000508200000000, 0.0008097300000000, 0.0009040100000000 ] - [ 0.0000969500000000, 0.0001533900000000, 0.0018846300000000 ] - [ 0.0000985500000000, 0.0001580700000000, -0.0000998900000000 ] - [ 0.0025418900000000, 0.0008041000000000, -0.0015185000000000 ] - [ -0.0004283600000000, 0.0007889400000000, 0.0030697500000000 ] - [ 0.0010720300000000, 0.0012454100000000, 0.0000228800000000 ] - [ 0.0001695900000000, -0.0011638300000000, -0.0004533200000000 ] - [ 0.0105925500000000, -0.0084944700000000, 0.0003265000000000 ] - [ -0.0001630100000000, 0.0030689200000000, -0.0001073600000000 ] - [ 0.0002942700000000, 0.0010624700000000, -0.0005638100000000 ] - [ -0.0001237100000000, -0.0008884000000000, 0.0011853200000000 ] - [ 0.0005025400000000, -0.0058068800000000, 0.0025799600000000 ] - [ -0.0005765600000000, 0.0024738400000000, 0.0001715400000000 ]- atom: 41 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0034676100000000, -0.0193697100000000, 0.0017974200000000 ] - [ 0.0000633600000000, 0.0058812400000000, 0.0047407900000000 ] - [ -0.0001966000000000, 0.0006944400000000, -0.0000737700000000 ] - [ 0.0001263200000000, -0.0001679200000000, 0.0005785800000000 ] - [ -0.0013140600000000, -0.0035747100000000, 0.0022944900000000 ] - [ -0.0000911200000000, 0.0016419300000000, -0.0021336600000000 ] - [ -0.0036943600000000, 0.0061416800000000, -0.0006505400000000 ] - [ 0.0060978400000000, -0.0084960200000000, 0.0005378500000000 ] - [ -0.0003414900000000, -0.0031774100000000, 0.0001181900000000 ] - [ 0.0003912600000000, 0.0028563800000000, 0.0018777100000000 ] - [ 0.0002465100000000, 0.0004195000000000, 0.0001726200000000 ] - [ -0.0000725700000000, -0.0004068700000000, 0.0006885100000000 ] - [ 0.0021168300000000, -0.0018634300000000, 0.0023507200000000 ] - [ -0.0000778100000000, 0.0012961200000000, -0.0012263100000000 ] - [ 0.0037598800000000, 0.0068432800000000, -0.0003623300000000 ] - [ -0.0079314800000000, -0.0077297100000000, -0.0015318500000000 ] - [ -0.0102893700000000, -0.0628812200000000, -0.0371919400000000 ] - [ 0.0003427700000000, 0.0108620600000000, -0.0055931800000000 ] - [ -0.0013357500000000, 0.0074395600000000, 0.0019739300000000 ] - [ -0.0006388500000000, -0.0014356500000000, -0.0023264200000000 ] - [ -0.0021252000000000, 0.0032301100000000, -0.0008790400000000 ] - [ 0.0012846200000000, -0.0041440200000000, 0.0049905900000000 ] - [ 0.0001480400000000, -0.0011345000000000, 0.0001214100000000 ] - [ -0.0001076500000000, 0.0014473600000000, 0.0001448000000000 ] - [ 0.0001512200000000, 0.0024489800000000, 0.0001986100000000 ] - [ 0.0002967500000000, -0.0015801600000000, -0.0014325300000000 ] - [ 0.0004257000000000, -0.0047539000000000, -0.0027273600000000 ] - [ 0.0002536500000000, 0.0079089300000000, -0.0023397900000000 ] - [ -0.0002307400000000, -0.0019497000000000, 0.0006576700000000 ] - [ 0.0003594200000000, 0.0015647200000000, 0.0005443700000000 ] - [ 0.0021862400000000, 0.0025104100000000, -0.0009965900000000 ] - [ -0.0012834800000000, -0.0014940200000000, 0.0034524900000000 ] - [ -0.0044770700000000, -0.0217912200000000, -0.0000370200000000 ] - [ 0.0033851900000000, -0.0241234500000000, 0.0030208900000000 ] - [ -0.0018583000000000, -0.0086191600000000, -0.0184688600000000 ] - [ 0.0002977400000000, 0.0001296300000000, 0.0018644700000000 ] - [ 0.0003276000000000, -0.0060139000000000, 0.0041122400000000 ] - [ 0.0002081900000000, 0.0003282000000000, -0.0015658700000000 ] - [ -0.0001392500000000, 0.0004093400000000, 0.0001984600000000 ] - [ -0.0001902700000000, -0.0003053900000000, 0.0000498600000000 ] - [ 0.0241005300000000, 0.1289164800000000, 0.0453738200000000 ] - [ -0.0006274300000000, -0.0059485200000000, -0.0008160700000000 ] - [ -0.0001720200000000, 0.0014586500000000, 0.0001429200000000 ] - [ 0.0003199200000000, -0.0014678300000000, -0.0008240400000000 ] - [ 0.0001074300000000, -0.0044270700000000, 0.0025390000000000 ] - [ 0.0008433500000000, 0.0078210400000000, 0.0056267900000000 ] - [ 0.0026274400000000, 0.0063956900000000, 0.0009601800000000 ] - [ -0.0007157100000000, -0.0031734800000000, -0.0011239400000000 ] - [ 0.0003430900000000, -0.0007757600000000, 0.0005434500000000 ] - [ -0.0000428700000000, 0.0010344200000000, -0.0009445900000000 ] - [ 0.0008350000000000, -0.0006517400000000, -0.0005856700000000 ] - [ -0.0000787800000000, 0.0003791400000000, 0.0004883500000000 ] - [ 0.0088309300000000, -0.0020427100000000, -0.0040740700000000 ] - [ -0.0004156400000000, -0.0047453600000000, 0.0032075900000000 ] - [ 0.0023216500000000, -0.0010682900000000, 0.0017877700000000 ] - [ -0.0015740400000000, -0.0018921200000000, -0.0064085800000000 ] - [ -0.0002850400000000, -0.0000984500000000, -0.0002778600000000 ] - [ -0.0000873100000000, -0.0000439500000000, 0.0001989700000000 ] - [ 0.0001588600000000, 0.0005106100000000, -0.0000718800000000 ] - [ 0.0001399800000000, -0.0004203300000000, -0.0012758500000000 ] - [ 0.0000714800000000, -0.0025677800000000, 0.0016191800000000 ] - [ -0.0007979700000000, 0.0028542500000000, 0.0015059800000000 ] - [ 0.0002121900000000, 0.0010006000000000, -0.0000936300000000 ] - [ -0.0000000100000000, -0.0008517900000000, 0.0000555800000000 ] - [ -0.0012774600000000, 0.0059447700000000, 0.0012753400000000 ] - [ -0.0000616600000000, -0.0030798700000000, -0.0010576100000000 ] - [ 0.0000190500000000, -0.0013631700000000, 0.0001327100000000 ] - [ 0.0004086800000000, 0.0006664700000000, -0.0004096300000000 ] - [ -0.0000161700000000, 0.0006571800000000, -0.0007558200000000 ] - [ -0.0000267600000000, -0.0005260200000000, 0.0000985000000000 ] - [ -0.0001800400000000, -0.0002200100000000, -0.0007766200000000 ] - [ -0.0002513000000000, 0.0002178600000000, 0.0016908000000000 ] - [ 0.0001682900000000, -0.0004369200000000, 0.0001563500000000 ] - [ -0.0041210200000000, -0.0082862000000000, 0.0040489700000000 ] - [ -0.0002227200000000, 0.0005982900000000, 0.0000382200000000 ] - [ -0.0000391300000000, -0.0005355900000000, -0.0014018200000000 ] - [ 0.0000608800000000, 0.0000122600000000, -0.0016170500000000 ] - [ 0.0000608200000000, -0.0000065000000000, 0.0003757200000000 ] - [ -0.0024138900000000, -0.0007700200000000, 0.0011562900000000 ] - [ 0.0005693400000000, -0.0007851600000000, -0.0034345700000000 ] - [ -0.0005742700000000, -0.0012059100000000, -0.0003970000000000 ] - [ 0.0003400800000000, 0.0011991100000000, 0.0000853900000000 ] - [ -0.0105256800000000, 0.0085968500000000, -0.0003437500000000 ] - [ 0.0001066000000000, -0.0030399400000000, -0.0000036100000000 ] - [ -0.0003825000000000, -0.0007952800000000, 0.0006816400000000 ] - [ 0.0000358400000000, 0.0011573100000000, -0.0010714900000000 ] - [ -0.0007129500000000, 0.0055123600000000, -0.0027297700000000 ] - [ 0.0003148300000000, -0.0027493800000000, -0.0002442000000000 ]- atom: 41 displacement: [ -0.0014701282124378, 0.0000000000000000, 0.0098913458659069 ] forces: - [ -0.0033086700000000, 0.0051289800000000, 0.0139994000000000 ] - [ 0.0000440900000000, -0.0026204700000000, 0.0020133500000000 ] - [ 0.0003922900000000, 0.0000062700000000, -0.0035024900000000 ] - [ 0.0006936000000000, 0.0005240800000000, -0.0038129600000000 ] - [ 0.0040792400000000, -0.0008784100000000, -0.0047655500000000 ] - [ 0.0006294800000000, 0.0003331400000000, -0.0004451200000000 ] - [ 0.0006817200000000, -0.0027241900000000, 0.0049253300000000 ] - [ -0.0045566600000000, -0.0039413800000000, 0.0124518000000000 ] - [ -0.0008554800000000, 0.0025753900000000, 0.0020030400000000 ] - [ 0.0000600200000000, -0.0011657300000000, 0.0008637500000000 ] - [ -0.0003889500000000, -0.0002474200000000, -0.0024662100000000 ] - [ -0.0004433200000000, -0.0002507600000000, -0.0034019900000000 ] - [ -0.0029432400000000, 0.0005454100000000, -0.0047348600000000 ] - [ -0.0006791000000000, 0.0003415400000000, -0.0015443800000000 ] - [ -0.0008049100000000, -0.0010401300000000, 0.0038512400000000 ] - [ 0.0058223300000000, -0.0029104300000000, 0.0167863100000000 ] - [ 0.0100570500000000, 0.0433660500000000, 0.0669002900000000 ] - [ -0.0004889500000000, -0.0007983300000000, 0.0034936200000000 ] - [ 0.0007266200000000, -0.0074658100000000, -0.0036148400000000 ] - [ -0.0030745400000000, 0.0075883400000000, -0.0089264600000000 ] - [ -0.0033357400000000, 0.0020770900000000, -0.0010636900000000 ] - [ -0.0025081000000000, -0.0091544300000000, -0.0049420800000000 ] - [ -0.0000265300000000, 0.0004166800000000, -0.0051484200000000 ] - [ 0.0003488900000000, 0.0000138400000000, -0.0032543900000000 ] - [ 0.0001492700000000, -0.0020285600000000, -0.0012532900000000 ] - [ 0.0000921700000000, 0.0022122500000000, -0.0014521200000000 ] - [ -0.0004597100000000, -0.0002150100000000, 0.0048129400000000 ] - [ 0.0003193700000000, -0.0010191100000000, 0.0022462200000000 ] - [ 0.0000668800000000, -0.0000461900000000, -0.0054879100000000 ] - [ -0.0001628800000000, 0.0001319900000000, -0.0036432700000000 ] - [ 0.0032763100000000, 0.0023912100000000, -0.0020925000000000 ] - [ 0.0015286600000000, -0.0064458100000000, -0.0066884700000000 ] - [ 0.0012225300000000, 0.0063654700000000, -0.0160558600000000 ] - [ 0.0009604300000000, 0.0013176100000000, -0.0049556100000000 ] - [ 0.0014248300000000, 0.0075135100000000, 0.0184297900000000 ] - [ 0.0004987300000000, -0.0023329800000000, -0.0008914100000000 ] - [ 0.0002801900000000, -0.0091784400000000, 0.0070006000000000 ] - [ -0.0002119100000000, 0.0019440500000000, 0.0012086300000000 ] - [ -0.0006098700000000, -0.0000800900000000, 0.0016383900000000 ] - [ -0.0004367700000000, -0.0002938000000000, 0.0012388200000000 ] - [ -0.0033482200000000, -0.0385251200000000, -0.1411794600000000 ] - [ 0.0001733100000000, 0.0009165300000000, -0.0015146600000000 ] - [ -0.0004157000000000, 0.0007205900000000, 0.0043243900000000 ] - [ -0.0003839100000000, 0.0014035800000000, 0.0021638600000000 ] - [ -0.0001303000000000, 0.0019354000000000, -0.0011862200000000 ] - [ -0.0015765200000000, -0.0084254500000000, 0.0246173400000000 ] - [ 0.0101215900000000, 0.0030051200000000, 0.0113595300000000 ] - [ -0.0000372600000000, -0.0006705300000000, -0.0003481200000000 ] - [ 0.0001497000000000, -0.0005488400000000, 0.0018535500000000 ] - [ -0.0002977800000000, -0.0000440300000000, 0.0031387500000000 ] - [ -0.0008785800000000, 0.0015920700000000, 0.0019595700000000 ] - [ -0.0012533500000000, -0.0010772800000000, 0.0017059400000000 ] - [ -0.0092530200000000, 0.0060007900000000, 0.0011999400000000 ] - [ -0.0005404300000000, -0.0005841200000000, -0.0010107400000000 ] - [ 0.0016508200000000, -0.0029176000000000, -0.0024482700000000 ] - [ 0.0012358000000000, 0.0016652800000000, -0.0030987800000000 ] - [ 0.0001790800000000, -0.0000460500000000, 0.0021159100000000 ] - [ -0.0000918300000000, -0.0005796200000000, 0.0019744500000000 ] - [ 0.0003471000000000, 0.0000150900000000, 0.0022638600000000 ] - [ 0.0003127500000000, 0.0019019900000000, 0.0021044100000000 ] - [ -0.0003404600000000, 0.0008700700000000, -0.0004399900000000 ] - [ -0.0013626900000000, -0.0013030500000000, 0.0007315600000000 ] - [ -0.0002397100000000, -0.0002451000000000, 0.0022399800000000 ] - [ 0.0000477300000000, 0.0006172900000000, 0.0015098900000000 ] - [ -0.0000515600000000, -0.0013465000000000, -0.0059863200000000 ] - [ -0.0002301500000000, 0.0006031600000000, -0.0016777200000000 ] - [ 0.0001513500000000, -0.0005685300000000, 0.0012294300000000 ] - [ 0.0000731100000000, 0.0011187400000000, 0.0025089600000000 ] - [ 0.0003023900000000, -0.0004227300000000, 0.0021660800000000 ] - [ 0.0001575900000000, -0.0002639400000000, 0.0012613600000000 ] - [ -0.0002250100000000, 0.0013774400000000, 0.0009400400000000 ] - [ -0.0001525400000000, -0.0005576100000000, -0.0005269500000000 ] - [ -0.0007264200000000, 0.0020699600000000, -0.0022485500000000 ] - [ -0.0053945900000000, 0.0020876200000000, -0.0024245800000000 ] - [ -0.0000165200000000, 0.0007881100000000, 0.0023534200000000 ] - [ -0.0002434100000000, 0.0020837200000000, 0.0023078400000000 ] - [ 0.0001757300000000, 0.0001075100000000, 0.0036249200000000 ] - [ 0.0004430000000000, -0.0013411000000000, 0.0033067400000000 ] - [ -0.0019026900000000, -0.0032870600000000, -0.0012574600000000 ] - [ -0.0004377900000000, 0.0016967300000000, -0.0010585400000000 ] - [ 0.0010869200000000, 0.0010362100000000, 0.0004826600000000 ] - [ 0.0020443500000000, -0.0003457200000000, 0.0008185600000000 ] - [ 0.0158403000000000, -0.0019687400000000, -0.0022059500000000 ] - [ 0.0001684200000000, -0.0000258600000000, -0.0008418800000000 ] - [ -0.0002158400000000, -0.0008237300000000, 0.0022975600000000 ] - [ 0.0001820300000000, -0.0007503200000000, 0.0032747000000000 ] - [ -0.0128824500000000, 0.0034193400000000, 0.0093048800000000 ] - [ -0.0002737200000000, -0.0003190700000000, -0.0014055100000000 ]- atom: 41 displacement: [ 0.0014701282124378, 0.0000000000000000, -0.0098913458659069 ] forces: - [ 0.0030904000000000, -0.0061478200000000, -0.0130869200000000 ] - [ -0.0000786300000000, 0.0024826800000000, -0.0018569900000000 ] - [ -0.0002019100000000, 0.0004508700000000, 0.0037628700000000 ] - [ -0.0005048100000000, -0.0000746000000000, 0.0040845500000000 ] - [ -0.0039945600000000, 0.0008592700000000, 0.0046516500000000 ] - [ -0.0005163800000000, -0.0003560000000000, 0.0003062700000000 ] - [ -0.0007566100000000, 0.0023037700000000, -0.0052045300000000 ] - [ 0.0047522400000000, 0.0037657800000000, -0.0127247900000000 ] - [ 0.0009428200000000, -0.0030178000000000, -0.0016855500000000 ] - [ 0.0000204300000000, 0.0007453400000000, -0.0005608800000000 ] - [ 0.0002748900000000, 0.0002239400000000, 0.0025807500000000 ] - [ 0.0003289600000000, 0.0002210800000000, 0.0035185200000000 ] - [ 0.0027693600000000, -0.0000946000000000, 0.0044609400000000 ] - [ 0.0004910000000000, 0.0001120600000000, 0.0012608900000000 ] - [ 0.0008378800000000, 0.0009004900000000, -0.0039431900000000 ] - [ -0.0059360600000000, 0.0028308300000000, -0.0168652400000000 ] - [ -0.0106317100000000, -0.0463467300000000, -0.0696352900000000 ] - [ 0.0008028600000000, 0.0008094600000000, -0.0035622800000000 ] - [ -0.0008981100000000, 0.0073624300000000, 0.0035184200000000 ] - [ 0.0029280200000000, -0.0077747900000000, 0.0088524500000000 ] - [ 0.0034798300000000, -0.0024128900000000, 0.0012320900000000 ] - [ 0.0026737000000000, 0.0087440100000000, 0.0051353400000000 ] - [ 0.0001401100000000, -0.0002444900000000, 0.0047302400000000 ] - [ -0.0002359100000000, 0.0001647500000000, 0.0028412100000000 ] - [ -0.0002626100000000, 0.0022109100000000, 0.0016510100000000 ] - [ -0.0002053300000000, -0.0020441600000000, 0.0018380500000000 ] - [ 0.0002708000000000, -0.0001872400000000, -0.0050074900000000 ] - [ -0.0004857600000000, 0.0007094300000000, -0.0024285000000000 ] - [ 0.0001003400000000, -0.0000970500000000, 0.0055817000000000 ] - [ 0.0003293100000000, -0.0002721600000000, 0.0037363200000000 ] - [ -0.0035663700000000, -0.0024066600000000, 0.0021113000000000 ] - [ -0.0018436700000000, 0.0063542500000000, 0.0067141900000000 ] - [ -0.0009345100000000, -0.0065890100000000, 0.0162220300000000 ] - [ -0.0006895700000000, -0.0017275900000000, 0.0050493500000000 ] - [ -0.0013231600000000, -0.0072415900000000, -0.0186552600000000 ] - [ -0.0004115700000000, 0.0026221200000000, 0.0008010600000000 ] - [ -0.0002284800000000, 0.0091293900000000, -0.0068220000000000 ] - [ 0.0002596700000000, -0.0019090400000000, -0.0011117600000000 ] - [ 0.0001089400000000, 0.0001198500000000, -0.0012642300000000 ] - [ -0.0000646900000000, 0.0003336600000000, -0.0008667300000000 ] - [ 0.0041225600000000, 0.0419975300000000, 0.1433962900000000 ] - [ -0.0003192400000000, -0.0009094000000000, 0.0018774300000000 ] - [ 0.0002610000000000, -0.0005627500000000, -0.0046090100000000 ] - [ 0.0002281700000000, -0.0012483100000000, -0.0024316400000000 ] - [ 0.0002226400000000, -0.0016770300000000, 0.0017023900000000 ] - [ 0.0016971400000000, 0.0088240100000000, -0.0244370200000000 ] - [ -0.0101586100000000, -0.0031843300000000, -0.0112135000000000 ] - [ -0.0001295300000000, 0.0004378300000000, 0.0004039700000000 ] - [ -0.0001102800000000, 0.0008416000000000, -0.0018738100000000 ] - [ 0.0003331200000000, 0.0003473700000000, -0.0031636000000000 ] - [ 0.0008194300000000, -0.0016087500000000, -0.0018336300000000 ] - [ 0.0011990100000000, 0.0010751400000000, -0.0015787300000000 ] - [ 0.0089807100000000, -0.0063137000000000, -0.0015333500000000 ] - [ 0.0001926500000000, 0.0002612600000000, 0.0006843200000000 ] - [ -0.0014862300000000, 0.0029974900000000, 0.0023143200000000 ] - [ -0.0010903300000000, -0.0015886000000000, 0.0029265000000000 ] - [ -0.0003475900000000, 0.0000213300000000, -0.0020370400000000 ] - [ -0.0000759900000000, 0.0005582000000000, -0.0018952000000000 ] - [ -0.0001696200000000, 0.0001494000000000, -0.0027613200000000 ] - [ -0.0001355200000000, -0.0017328900000000, -0.0026074100000000 ] - [ 0.0001650800000000, -0.0007198000000000, 0.0009544000000000 ] - [ 0.0011873800000000, 0.0014734700000000, -0.0002083200000000 ] - [ 0.0004096100000000, 0.0002277900000000, -0.0023096000000000 ] - [ 0.0001201700000000, -0.0006413200000000, -0.0015779500000000 ] - [ -0.0001301300000000, 0.0014653800000000, 0.0060955500000000 ] - [ 0.0000828500000000, -0.0005293600000000, 0.0017827700000000 ] - [ 0.0001961300000000, 0.0002717000000000, -0.0008731000000000 ] - [ 0.0002721300000000, -0.0013959300000000, -0.0021497200000000 ] - [ -0.0002394800000000, 0.0004128000000000, -0.0022900300000000 ] - [ -0.0000941500000000, 0.0002510900000000, -0.0013820900000000 ] - [ 0.0001909800000000, -0.0010743200000000, -0.0009032800000000 ] - [ 0.0001140700000000, 0.0008596900000000, 0.0005678400000000 ] - [ 0.0008922700000000, -0.0022773100000000, 0.0021805300000000 ] - [ 0.0055631200000000, -0.0023602600000000, 0.0023918600000000 ] - [ -0.0000771500000000, -0.0005054500000000, -0.0028462000000000 ] - [ 0.0001511800000000, -0.0017978100000000, -0.0028078100000000 ] - [ -0.0000189900000000, 0.0000487400000000, -0.0033546100000000 ] - [ -0.0002866800000000, 0.0015072700000000, -0.0030409200000000 ] - [ 0.0020219600000000, 0.0032934700000000, 0.0008787800000000 ] - [ 0.0005788300000000, -0.0016773600000000, 0.0006455300000000 ] - [ -0.0005892100000000, -0.0010004700000000, -0.0008519500000000 ] - [ -0.0015560800000000, 0.0003862100000000, -0.0011848400000000 ] - [ -0.0159318800000000, 0.0020617500000000, 0.0022028400000000 ] - [ -0.0002136700000000, 0.0000359800000000, 0.0007422900000000 ] - [ 0.0001252300000000, 0.0010874300000000, -0.0021765500000000 ] - [ -0.0002687000000000, 0.0010240700000000, -0.0031635700000000 ] - [ 0.0124535300000000, -0.0036506200000000, -0.0093189900000000 ] - [ 0.0000169800000000, 0.0000256500000000, 0.0013076200000000 ]- atom: 43 displacement: [ 0.0099999999959232, 0.0000000000000000, 0.0000002855446085 ] forces: - [ 0.0002751200000000, -0.0000533100000000, 0.0000899500000000 ] - [ 0.0001111100000000, -0.0002222300000000, 0.0003182800000000 ] - [ 0.0008012700000000, 0.0011846400000000, 0.0002405800000000 ] - [ 0.0063612600000000, -0.0048159100000000, 0.0036764400000000 ] - [ 0.0144967400000000, -0.0033005300000000, 0.0031936500000000 ] - [ 0.0014907700000000, -0.0012851500000000, -0.0011614100000000 ] - [ 0.0001772000000000, 0.0006612300000000, -0.0006438000000000 ] - [ 0.0005832400000000, -0.0003644200000000, -0.0001426300000000 ] - [ -0.0004125200000000, 0.0000670200000000, -0.0005343200000000 ] - [ -0.0001259300000000, -0.0003194900000000, 0.0000260600000000 ] - [ -0.0011908600000000, -0.0013955600000000, -0.0003563100000000 ] - [ -0.0041726700000000, 0.0035350200000000, -0.0040637900000000 ] - [ -0.0139747100000000, -0.0104440500000000, 0.0068158200000000 ] - [ -0.0019529200000000, 0.0014400200000000, -0.0007194600000000 ] - [ -0.0002019000000000, 0.0001069000000000, -0.0001664000000000 ] - [ -0.0002525500000000, -0.0001734300000000, 0.0001432900000000 ] - [ 0.0019303400000000, -0.0013355100000000, 0.0016242000000000 ] - [ 0.0008073200000000, 0.0009886100000000, 0.0020374800000000 ] - [ 0.0021965500000000, -0.0013104000000000, 0.0008384300000000 ] - [ 0.0183461000000000, -0.0008021100000000, -0.0039592900000000 ] - [ -0.0001981800000000, -0.0001385200000000, 0.0001436600000000 ] - [ -0.0003858700000000, -0.0004789100000000, 0.0011347700000000 ] - [ -0.0095976500000000, 0.0016640200000000, 0.0022393200000000 ] - [ -0.0019649400000000, -0.0007176200000000, 0.0003096100000000 ] - [ -0.0017834300000000, 0.0004634000000000, 0.0003565800000000 ] - [ -0.0118674400000000, -0.0022751200000000, -0.0033038400000000 ] - [ -0.0021338500000000, -0.0001147700000000, -0.0009302600000000 ] - [ -0.0004587500000000, -0.0001487000000000, -0.0003853800000000 ] - [ 0.0121686900000000, -0.0008268200000000, -0.0025232300000000 ] - [ 0.0027211400000000, 0.0009467700000000, -0.0010762400000000 ] - [ 0.0006689600000000, -0.0010960100000000, -0.0009071100000000 ] - [ 0.0003016600000000, 0.0001729100000000, -0.0001845700000000 ] - [ -0.0002968800000000, -0.0000923400000000, -0.0000032500000000 ] - [ 0.0000514500000000, -0.0000421900000000, -0.0002785300000000 ] - [ -0.0024318700000000, 0.0022544300000000, -0.0024830200000000 ] - [ 0.0019338300000000, -0.0070904400000000, -0.0019710700000000 ] - [ -0.0003354400000000, -0.0001220800000000, -0.0001345900000000 ] - [ -0.0002431700000000, -0.0000234900000000, -0.0003374700000000 ] - [ 0.0023568700000000, -0.0050251400000000, -0.0059546200000000 ] - [ -0.0016287100000000, 0.0049278100000000, -0.0002930300000000 ] - [ -0.0002038400000000, 0.0001059900000000, -0.0001794600000000 ] - [ -0.0002648600000000, -0.0003915800000000, -0.0001547500000000 ] - [ -0.0674851700000000, 0.0159808100000000, -0.0068963100000000 ] - [ -0.0011153700000000, 0.0000297300000000, -0.0000302300000000 ] - [ -0.0007061600000000, 0.0000492600000000, 0.0001752900000000 ] - [ -0.0049976600000000, 0.0036887800000000, -0.0023894100000000 ] - [ -0.0000236300000000, -0.0002738900000000, -0.0001763200000000 ] - [ -0.0000455700000000, -0.0000884700000000, 0.0000014000000000 ] - [ 0.0005508900000000, 0.0005379900000000, -0.0001797500000000 ] - [ 0.0034156900000000, -0.0016767800000000, -0.0020020700000000 ] - [ -0.0006362800000000, -0.0032830900000000, -0.0007166300000000 ] - [ 0.0031559900000000, 0.0102334900000000, 0.0064521600000000 ] - [ -0.0011375000000000, -0.0010945000000000, 0.0044089800000000 ] - [ -0.0006504100000000, -0.0000896800000000, 0.0000323900000000 ] - [ 0.0000985300000000, 0.0000200900000000, 0.0001624800000000 ] - [ 0.0001359000000000, 0.0002085800000000, -0.0003095800000000 ] - [ 0.0019080700000000, 0.0004094800000000, 0.0004835100000000 ] - [ 0.0019500000000000, 0.0005909100000000, 0.0003334900000000 ] - [ 0.0014141200000000, -0.0002138600000000, -0.0005397400000000 ] - [ 0.0006289000000000, -0.0001302600000000, -0.0003921700000000 ] - [ 0.0001482100000000, 0.0000017500000000, 0.0005201800000000 ] - [ 0.0016012600000000, 0.0018111600000000, 0.0017830700000000 ] - [ 0.0144168500000000, 0.0011685600000000, 0.0011884100000000 ] - [ 0.0006487000000000, -0.0000365200000000, -0.0000025000000000 ] - [ 0.0001145200000000, 0.0001721100000000, 0.0004943100000000 ] - [ 0.0000606900000000, -0.0000457400000000, 0.0001637500000000 ] - [ 0.0004398000000000, 0.0001650000000000, 0.0004021100000000 ] - [ 0.0004045900000000, -0.0002751300000000, 0.0004457600000000 ] - [ 0.0134204000000000, 0.0033522100000000, 0.0076259700000000 ] - [ 0.0005294400000000, 0.0001363200000000, 0.0002675600000000 ] - [ 0.0064027000000000, -0.0000466800000000, -0.0020230400000000 ] - [ 0.0015153100000000, 0.0010476100000000, 0.0004448600000000 ] - [ 0.0004112300000000, -0.0004668700000000, 0.0001725500000000 ] - [ 0.0002544000000000, -0.0000260300000000, 0.0000537200000000 ] - [ 0.0019748800000000, 0.0028677200000000, 0.0028564200000000 ] - [ -0.0002148300000000, 0.0000051400000000, 0.0001282800000000 ] - [ -0.0009126900000000, 0.0053205600000000, 0.0008783400000000 ] - [ -0.0009142000000000, -0.0059716600000000, 0.0024490100000000 ] - [ -0.0000072600000000, -0.0000081200000000, 0.0001758900000000 ] - [ 0.0000088200000000, -0.0000104600000000, -0.0000924800000000 ] - [ 0.0008317200000000, -0.0001816000000000, -0.0004782000000000 ] - [ 0.0159083300000000, -0.0064231600000000, -0.0070146400000000 ] - [ 0.0004672600000000, 0.0004071800000000, -0.0004789700000000 ] - [ 0.0004599200000000, -0.0001521900000000, -0.0002995100000000 ] - [ -0.0006484400000000, 0.0002275300000000, -0.0000036400000000 ] - [ -0.0051966600000000, -0.0018833800000000, 0.0014059600000000 ] - [ -0.0001467500000000, -0.0001910600000000, 0.0000339300000000 ] - [ -0.0001392000000000, 0.0000242300000000, 0.0001451100000000 ]- atom: 43 displacement: [ -0.0099999999959232, 0.0000000000000000, -0.0000002855446085 ] forces: - [ -0.0003044100000000, -0.0001058700000000, 0.0000208900000000 ] - [ -0.0001417600000000, 0.0000634000000000, -0.0002020500000000 ] - [ -0.0005984300000000, -0.0007349900000000, 0.0000379800000000 ] - [ -0.0058233200000000, 0.0055020200000000, -0.0036490500000000 ] - [ -0.0138899800000000, 0.0028573000000000, -0.0028238900000000 ] - [ -0.0013533700000000, 0.0012679000000000, 0.0010382600000000 ] - [ -0.0002492300000000, -0.0010849200000000, 0.0003554000000000 ] - [ -0.0006462400000000, -0.0000727800000000, -0.0001353300000000 ] - [ 0.0004817300000000, -0.0004984300000000, 0.0008086100000000 ] - [ 0.0001998500000000, -0.0001161800000000, 0.0002552200000000 ] - [ 0.0010571700000000, 0.0013719900000000, 0.0004830400000000 ] - [ 0.0040358500000000, -0.0035945300000000, 0.0042107300000000 ] - [ 0.0136605500000000, 0.0109165500000000, -0.0071060500000000 ] - [ 0.0017324900000000, -0.0009858600000000, 0.0004434700000000 ] - [ 0.0002320900000000, -0.0002611000000000, 0.0000483100000000 ] - [ 0.0002804700000000, 0.0000103900000000, -0.0002623800000000 ] - [ -0.0016124600000000, 0.0012587400000000, -0.0016272900000000 ] - [ -0.0004859000000000, -0.0010142500000000, -0.0020214700000000 ] - [ -0.0023528600000000, 0.0011703400000000, -0.0009293900000000 ] - [ -0.0184521400000000, 0.0007847800000000, 0.0038948800000000 ] - [ 0.0003692500000000, -0.0002165900000000, 0.0000224600000000 ] - [ 0.0005551800000000, 0.0001161300000000, -0.0009610500000000 ] - [ 0.0097436800000000, -0.0014543500000000, -0.0026107000000000 ] - [ 0.0020675600000000, 0.0008823400000000, -0.0007152500000000 ] - [ 0.0016633900000000, -0.0002592900000000, 0.0000548600000000 ] - [ 0.0117970400000000, 0.0023717500000000, 0.0036802500000000 ] - [ 0.0019489000000000, -0.0002474200000000, 0.0007409000000000 ] - [ 0.0002882300000000, -0.0002129400000000, 0.0002150900000000 ] - [ -0.0120423600000000, 0.0005879300000000, 0.0025521600000000 ] - [ -0.0025353100000000, -0.0010741900000000, 0.0011591500000000 ] - [ -0.0009763900000000, 0.0010314200000000, 0.0009108700000000 ] - [ -0.0006200800000000, -0.0001983800000000, 0.0001809700000000 ] - [ 0.0005514200000000, -0.0001846400000000, 0.0000885500000000 ] - [ 0.0002067200000000, -0.0002332400000000, 0.0003582800000000 ] - [ 0.0025352800000000, -0.0019755700000000, 0.0023630500000000 ] - [ -0.0018498000000000, 0.0072405300000000, 0.0018239100000000 ] - [ 0.0003742700000000, 0.0001456000000000, 0.0002381300000000 ] - [ 0.0002817900000000, 0.0000457300000000, 0.0004377500000000 ] - [ -0.0029038700000000, 0.0050400900000000, 0.0063047300000000 ] - [ 0.0011088000000000, -0.0048495500000000, 0.0006669600000000 ] - [ 0.0000627500000000, -0.0000780300000000, 0.0005444300000000 ] - [ 0.0001200100000000, 0.0004058200000000, 0.0005214000000000 ] - [ 0.0666215800000000, -0.0156628500000000, 0.0062805300000000 ] - [ 0.0009525500000000, 0.0001258400000000, -0.0002397900000000 ] - [ 0.0007918300000000, 0.0002210600000000, 0.0003210500000000 ] - [ 0.0050623400000000, -0.0033865100000000, 0.0027910500000000 ] - [ -0.0001402400000000, 0.0000600400000000, 0.0002412500000000 ] - [ -0.0001177300000000, -0.0001256600000000, 0.0000641500000000 ] - [ -0.0005116300000000, -0.0002373200000000, 0.0001528500000000 ] - [ -0.0033791200000000, 0.0019848900000000, 0.0019632900000000 ] - [ 0.0005615400000000, 0.0032495200000000, 0.0008271100000000 ] - [ -0.0032711600000000, -0.0101774400000000, -0.0063030700000000 ] - [ 0.0007715300000000, 0.0007987200000000, -0.0047063200000000 ] - [ 0.0002925700000000, -0.0001995800000000, -0.0003911400000000 ] - [ 0.0000507000000000, 0.0000651300000000, -0.0002771200000000 ] - [ 0.0000138900000000, -0.0001215100000000, 0.0001894100000000 ] - [ -0.0020794300000000, -0.0004494100000000, -0.0004217100000000 ] - [ -0.0021131100000000, -0.0005992000000000, -0.0002644500000000 ] - [ -0.0012316200000000, 0.0003649700000000, 0.0000248500000000 ] - [ -0.0004506300000000, 0.0002973500000000, -0.0001119500000000 ] - [ -0.0003267200000000, 0.0001578600000000, -0.0000147300000000 ] - [ -0.0017812600000000, -0.0016414200000000, -0.0012615000000000 ] - [ -0.0140390700000000, -0.0011751500000000, -0.0012549300000000 ] - [ -0.0004809600000000, 0.0000088100000000, -0.0000735900000000 ] - [ -0.0002633600000000, -0.0000828100000000, -0.0003670100000000 ] - [ -0.0002083400000000, 0.0001297100000000, -0.0000433000000000 ] - [ -0.0000838100000000, -0.0004484700000000, -0.0000432900000000 ] - [ -0.0000458100000000, -0.0000123100000000, -0.0000898000000000 ] - [ -0.0134913200000000, -0.0034237900000000, -0.0078938600000000 ] - [ -0.0004580600000000, -0.0001501000000000, -0.0003887800000000 ] - [ -0.0064680900000000, 0.0003253100000000, 0.0020811700000000 ] - [ -0.0015487900000000, -0.0007221200000000, -0.0004151100000000 ] - [ -0.0002434000000000, 0.0002465900000000, -0.0002329100000000 ] - [ -0.0000902700000000, -0.0001846200000000, -0.0001168800000000 ] - [ -0.0020479200000000, -0.0025151400000000, -0.0032833500000000 ] - [ 0.0001269400000000, 0.0002738700000000, -0.0006236100000000 ] - [ 0.0011096200000000, -0.0051497000000000, -0.0006178200000000 ] - [ 0.0011081800000000, 0.0061051300000000, -0.0021567500000000 ] - [ 0.0001500900000000, 0.0000297100000000, -0.0005383900000000 ] - [ 0.0001369800000000, 0.0000258000000000, -0.0002702900000000 ] - [ -0.0003204900000000, 0.0002144200000000, 0.0001049700000000 ] - [ -0.0155311600000000, 0.0065922000000000, 0.0067750100000000 ] - [ -0.0005018800000000, -0.0003798900000000, 0.0003817700000000 ] - [ -0.0004969800000000, 0.0001744700000000, 0.0001942600000000 ] - [ 0.0005574600000000, 0.0000443700000000, 0.0001151200000000 ] - [ 0.0051256100000000, 0.0021138300000000, -0.0011861800000000 ] - [ -0.0001101300000000, -0.0000855300000000, -0.0001129700000000 ] - [ -0.0001175100000000, -0.0002967400000000, -0.0002240400000000 ]- atom: 43 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0002348700000000, 0.0009939900000000, -0.0010295900000000 ] - [ 0.0000213000000000, -0.0008288700000000, -0.0006791300000000 ] - [ 0.0016274400000000, -0.0060254900000000, -0.0001959800000000 ] - [ -0.0021209300000000, 0.0115729500000000, 0.0067666200000000 ] - [ -0.0034117300000000, 0.0143873500000000, -0.0002948400000000 ] - [ -0.0015376600000000, -0.0069875700000000, -0.0007424000000000 ] - [ -0.0002951600000000, -0.0017757000000000, 0.0000035200000000 ] - [ -0.0010388900000000, 0.0003949400000000, -0.0021156600000000 ] - [ -0.0006410100000000, 0.0014475900000000, -0.0015043800000000 ] - [ 0.0000317200000000, -0.0013644300000000, -0.0001173100000000 ] - [ -0.0028363200000000, -0.0048756600000000, -0.0008879000000000 ] - [ 0.0029180800000000, 0.0039894500000000, 0.0040515400000000 ] - [ -0.0109870900000000, 0.0049336200000000, 0.0060682600000000 ] - [ 0.0033576400000000, -0.0049123900000000, 0.0010263000000000 ] - [ 0.0002818900000000, -0.0013961100000000, -0.0009288000000000 ] - [ 0.0004412700000000, 0.0009140200000000, -0.0009815000000000 ] - [ 0.0006673700000000, 0.0068623100000000, 0.0009691200000000 ] - [ -0.0006942700000000, -0.0044822900000000, -0.0063611100000000 ] - [ 0.0010573200000000, -0.0104904500000000, 0.0046805800000000 ] - [ -0.0045061100000000, 0.0257990700000000, 0.0166622600000000 ] - [ -0.0002305600000000, -0.0020104500000000, -0.0010602200000000 ] - [ -0.0000582000000000, 0.0009206600000000, 0.0006756300000000 ] - [ 0.0029413500000000, 0.0050195400000000, -0.0013966400000000 ] - [ -0.0006839900000000, -0.0034974600000000, 0.0016041600000000 ] - [ 0.0002797100000000, -0.0051819100000000, 0.0008731900000000 ] - [ -0.0021745300000000, 0.0056067900000000, -0.0013052000000000 ] - [ 0.0007301900000000, 0.0023436400000000, 0.0014662700000000 ] - [ 0.0000229500000000, -0.0019165500000000, -0.0018632900000000 ] - [ -0.0056354500000000, 0.0057121900000000, -0.0133134900000000 ] - [ -0.0006072000000000, -0.0087343900000000, 0.0052327900000000 ] - [ 0.0010747900000000, -0.0045814300000000, -0.0031757900000000 ] - [ -0.0001565800000000, 0.0014675200000000, 0.0004255700000000 ] - [ 0.0002918300000000, -0.0004472400000000, 0.0002598800000000 ] - [ 0.0000031700000000, -0.0003893100000000, 0.0013185100000000 ] - [ 0.0013191500000000, 0.0044178500000000, -0.0070971600000000 ] - [ -0.0019706800000000, 0.0198050200000000, 0.0053756400000000 ] - [ -0.0006180600000000, 0.0004843000000000, 0.0009824700000000 ] - [ 0.0000148500000000, -0.0003133400000000, -0.0002012100000000 ] - [ -0.0098106800000000, 0.0048666100000000, 0.0070406700000000 ] - [ 0.0005481300000000, 0.0037048700000000, -0.0010141300000000 ] - [ -0.0003593700000000, -0.0013661700000000, 0.0007910000000000 ] - [ 0.0002176200000000, 0.0015603600000000, 0.0015738800000000 ] - [ 0.0158512200000000, -0.1019722600000000, -0.0349853600000000 ] - [ -0.0001241300000000, 0.0049791700000000, -0.0003034300000000 ] - [ -0.0005087700000000, 0.0045544200000000, -0.0011597800000000 ] - [ 0.0039527400000000, -0.0120546500000000, 0.0100804400000000 ] - [ -0.0000504900000000, -0.0010868700000000, -0.0000949000000000 ] - [ 0.0002247100000000, 0.0011044700000000, 0.0005553900000000 ] - [ 0.0000145300000000, 0.0027161300000000, -0.0001477600000000 ] - [ 0.0028214700000000, -0.0050112100000000, -0.0012960600000000 ] - [ -0.0009689000000000, 0.0034687400000000, -0.0005202600000000 ] - [ 0.0142369400000000, 0.0124322700000000, 0.0049732100000000 ] - [ 0.0005849100000000, -0.0002400400000000, -0.0037142300000000 ] - [ 0.0006509300000000, 0.0005496400000000, 0.0011951200000000 ] - [ 0.0001499000000000, 0.0000553200000000, 0.0004607700000000 ] - [ 0.0001830400000000, 0.0001813300000000, 0.0004849600000000 ] - [ 0.0003158200000000, 0.0006801400000000, -0.0000656400000000 ] - [ 0.0003579100000000, 0.0007701200000000, -0.0013980700000000 ] - [ 0.0004587300000000, 0.0006623600000000, 0.0009163600000000 ] - [ 0.0001128200000000, -0.0000501300000000, -0.0009567300000000 ] - [ 0.0005363400000000, 0.0023423400000000, -0.0004622700000000 ] - [ -0.0011858600000000, -0.0046304500000000, 0.0010847200000000 ] - [ -0.0008051700000000, -0.0063312500000000, -0.0003964100000000 ] - [ 0.0000128500000000, 0.0027716400000000, -0.0003156400000000 ] - [ 0.0000174700000000, -0.0008692400000000, 0.0002130900000000 ] - [ -0.0001549700000000, 0.0007966200000000, 0.0008866200000000 ] - [ 0.0006652000000000, 0.0015109500000000, 0.0011430800000000 ] - [ 0.0002805600000000, -0.0010622800000000, -0.0002225100000000 ] - [ 0.0060979400000000, -0.0039393000000000, 0.0019457200000000 ] - [ -0.0008546400000000, 0.0034397600000000, -0.0015305500000000 ] - [ -0.0015437800000000, 0.0027649300000000, -0.0021192200000000 ] - [ 0.0003605700000000, 0.0012133400000000, 0.0012845800000000 ] - [ 0.0000452700000000, 0.0001004900000000, -0.0003089400000000 ] - [ 0.0001630700000000, -0.0004500300000000, 0.0004429400000000 ] - [ 0.0040725400000000, 0.0103115500000000, 0.0097334300000000 ] - [ -0.0003445600000000, -0.0004142500000000, -0.0019388400000000 ] - [ 0.0060721700000000, 0.0149880600000000, 0.0022376400000000 ] - [ -0.0051930900000000, 0.0151573700000000, -0.0066959800000000 ] - [ -0.0001486400000000, 0.0000960300000000, 0.0012235300000000 ] - [ -0.0000222200000000, 0.0000761200000000, -0.0002238100000000 ] - [ 0.0008364600000000, 0.0031955800000000, -0.0003731600000000 ] - [ -0.0110623400000000, -0.0051117200000000, 0.0008312100000000 ] - [ -0.0005672400000000, -0.0013150800000000, -0.0000853300000000 ] - [ -0.0007522700000000, 0.0012894700000000, 0.0009933600000000 ] - [ -0.0000203900000000, 0.0044366200000000, -0.0005009500000000 ] - [ -0.0020661600000000, -0.0080165800000000, -0.0037758700000000 ] - [ -0.0002016300000000, -0.0009827800000000, 0.0001207300000000 ] - [ -0.0002090300000000, 0.0012656800000000, 0.0012027200000000 ]- atom: 43 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0002686300000000, -0.0011569900000000, 0.0011405100000000 ] - [ -0.0000550200000000, 0.0006755700000000, 0.0007869600000000 ] - [ -0.0014488400000000, 0.0064769000000000, 0.0004748200000000 ] - [ 0.0026334400000000, -0.0107368800000000, -0.0067242900000000 ] - [ 0.0038685200000000, -0.0145751700000000, 0.0005345100000000 ] - [ 0.0016439200000000, 0.0069392100000000, 0.0006204600000000 ] - [ 0.0002142900000000, 0.0013323300000000, -0.0002877000000000 ] - [ 0.0009619100000000, -0.0008219200000000, 0.0018305700000000 ] - [ 0.0007158600000000, -0.0018847100000000, 0.0017792400000000 ] - [ 0.0000446700000000, 0.0009331400000000, 0.0003993100000000 ] - [ 0.0027333500000000, 0.0048375900000000, 0.0010232800000000 ] - [ -0.0030584500000000, -0.0039554500000000, -0.0039421900000000 ] - [ 0.0106912900000000, -0.0045997300000000, -0.0063016900000000 ] - [ -0.0035284700000000, 0.0053591900000000, -0.0012955200000000 ] - [ -0.0002452200000000, 0.0012315200000000, 0.0008108700000000 ] - [ -0.0004060600000000, -0.0010678300000000, 0.0008618000000000 ] - [ -0.0003557100000000, -0.0069108600000000, -0.0009895600000000 ] - [ 0.0010074900000000, 0.0044281300000000, 0.0063061700000000 ] - [ -0.0012315600000000, 0.0103498200000000, -0.0048036200000000 ] - [ 0.0037011900000000, -0.0242997300000000, -0.0150652100000000 ] - [ 0.0003996100000000, 0.0016431800000000, 0.0012237400000000 ] - [ 0.0002286600000000, -0.0012751300000000, -0.0005176700000000 ] - [ -0.0028542700000000, -0.0048726900000000, 0.0009649600000000 ] - [ 0.0008008300000000, 0.0036759300000000, -0.0020090800000000 ] - [ -0.0003922200000000, 0.0053338700000000, -0.0004623600000000 ] - [ 0.0020322700000000, -0.0053678100000000, 0.0017422300000000 ] - [ -0.0008987700000000, -0.0027007500000000, -0.0016243500000000 ] - [ -0.0001935200000000, 0.0015552700000000, 0.0016918100000000 ] - [ 0.0056566100000000, -0.0061533800000000, 0.0128697000000000 ] - [ 0.0007581600000000, 0.0085727500000000, -0.0051040900000000 ] - [ -0.0013849400000000, 0.0045213700000000, 0.0031964800000000 ] - [ -0.0001663100000000, -0.0014800500000000, -0.0004383000000000 ] - [ -0.0000326500000000, 0.0001726800000000, -0.0001730600000000 ] - [ 0.0002538300000000, 0.0001056900000000, -0.0012257700000000 ] - [ -0.0012487700000000, -0.0041516000000000, 0.0070205200000000 ] - [ 0.0020639100000000, -0.0194084500000000, -0.0054806400000000 ] - [ 0.0006629400000000, -0.0004588500000000, -0.0008798200000000 ] - [ 0.0000249500000000, 0.0003294900000000, 0.0003095500000000 ] - [ 0.0093789300000000, -0.0048135600000000, -0.0067276900000000 ] - [ -0.0010359500000000, -0.0036829300000000, 0.0013829300000000 ] - [ 0.0002173500000000, 0.0013881800000000, -0.0004207300000000 ] - [ -0.0003589500000000, -0.0015335800000000, -0.0011929200000000 ] - [ -0.0157982900000000, 0.1006898100000000, 0.0334097300000000 ] - [ -0.0000282700000000, -0.0048163300000000, 0.0000299000000000 ] - [ 0.0006023500000000, -0.0042671500000000, 0.0016628300000000 ] - [ -0.0038324600000000, 0.0122120400000000, -0.0096114000000000 ] - [ -0.0001122000000000, 0.0008751000000000, 0.0001632200000000 ] - [ -0.0003875800000000, -0.0013167400000000, -0.0004879000000000 ] - [ 0.0000190000000000, -0.0024167500000000, 0.0001200400000000 ] - [ -0.0027780200000000, 0.0052902900000000, 0.0012710300000000 ] - [ 0.0009109200000000, -0.0034688000000000, 0.0006502100000000 ] - [ -0.0141090600000000, -0.0123300300000000, -0.0047825200000000 ] - [ -0.0009321100000000, -0.0000526900000000, 0.0033440400000000 ] - [ -0.0009963100000000, -0.0008396000000000, -0.0015446700000000 ] - [ 0.0000000700000000, 0.0000328200000000, -0.0005767600000000 ] - [ -0.0000336900000000, -0.0000990800000000, -0.0005984700000000 ] - [ -0.0004831200000000, -0.0006869500000000, 0.0001402300000000 ] - [ -0.0005237200000000, -0.0008023300000000, 0.0014672000000000 ] - [ -0.0002802300000000, -0.0004857700000000, -0.0014118600000000 ] - [ 0.0000651600000000, 0.0002081900000000, 0.0004529800000000 ] - [ -0.0007101100000000, -0.0021716100000000, 0.0009629800000000 ] - [ 0.0010137600000000, 0.0048037400000000, -0.0005839000000000 ] - [ 0.0008936900000000, 0.0062898000000000, 0.0003006400000000 ] - [ 0.0001554900000000, -0.0027881100000000, 0.0002384200000000 ] - [ -0.0001672000000000, 0.0009516600000000, -0.0000941200000000 ] - [ 0.0000050700000000, -0.0007100400000000, -0.0007649900000000 ] - [ -0.0003151300000000, -0.0017970500000000, -0.0007898600000000 ] - [ 0.0000756900000000, 0.0007710800000000, 0.0005853000000000 ] - [ -0.0059715900000000, 0.0039787500000000, -0.0020282400000000 ] - [ 0.0009101000000000, -0.0034427200000000, 0.0013978400000000 ] - [ 0.0015020400000000, -0.0024556800000000, 0.0021374200000000 ] - [ -0.0003934500000000, -0.0009220700000000, -0.0012546300000000 ] - [ 0.0001175200000000, -0.0003092600000000, 0.0002405900000000 ] - [ 0.0000015800000000, 0.0002324500000000, -0.0005055300000000 ] - [ -0.0041614400000000, -0.0100516700000000, -0.0102133100000000 ] - [ 0.0002505300000000, 0.0006804500000000, 0.0014307000000000 ] - [ -0.0060052300000000, -0.0150082800000000, -0.0020101400000000 ] - [ 0.0052775400000000, -0.0148384900000000, 0.0068969600000000 ] - [ 0.0002892700000000, -0.0000699500000000, -0.0015910300000000 ] - [ 0.0001673000000000, -0.0000664300000000, -0.0001362400000000 ] - [ -0.0003431300000000, -0.0031509500000000, 0.0000063700000000 ] - [ 0.0115392300000000, 0.0050592200000000, -0.0012428300000000 ] - [ 0.0005198500000000, 0.0013391200000000, -0.0000183200000000 ] - [ 0.0007026100000000, -0.0012615900000000, -0.0010913200000000 ] - [ -0.0000649600000000, -0.0041598500000000, 0.0006071600000000 ] - [ 0.0019860400000000, 0.0082538000000000, 0.0040023300000000 ] - [ -0.0000572400000000, 0.0007069200000000, -0.0001986300000000 ] - [ -0.0000499200000000, -0.0015430700000000, -0.0012856600000000 ]- atom: 43 displacement: [ -0.0014701282124378, 0.0000000000000000, 0.0098913458659069 ] forces: - [ 0.0005131900000000, 0.0003607600000000, -0.0042272000000000 ] - [ 0.0004089800000000, 0.0003748400000000, -0.0029362900000000 ] - [ 0.0007559700000000, -0.0036800800000000, 0.0041152100000000 ] - [ 0.0053232900000000, 0.0085405300000000, 0.0121776800000000 ] - [ -0.0012003200000000, -0.0004540700000000, 0.0187642300000000 ] - [ -0.0016897600000000, -0.0026618900000000, 0.0020021100000000 ] - [ -0.0004905500000000, 0.0004910000000000, -0.0025409900000000 ] - [ -0.0021749600000000, -0.0020980500000000, -0.0050733200000000 ] - [ -0.0012047500000000, 0.0006143100000000, -0.0044005800000000 ] - [ -0.0005361400000000, -0.0000435000000000, -0.0019798100000000 ] - [ -0.0018681100000000, -0.0032386900000000, 0.0022787000000000 ] - [ -0.0038861200000000, 0.0052885000000000, 0.0018302100000000 ] - [ 0.0059133400000000, 0.0068053600000000, 0.0098598100000000 ] - [ 0.0021432000000000, -0.0016740100000000, 0.0052692500000000 ] - [ 0.0003430600000000, -0.0000796800000000, -0.0030565700000000 ] - [ 0.0008855800000000, -0.0008890500000000, -0.0041806800000000 ] - [ 0.0030790400000000, 0.0065269900000000, -0.0088856000000000 ] - [ -0.0004410900000000, -0.0032558000000000, -0.0068509900000000 ] - [ 0.0006402100000000, 0.0015502000000000, 0.0065321600000000 ] - [ -0.0074184400000000, 0.0030786600000000, 0.0377003000000000 ] - [ -0.0002422700000000, -0.0015352500000000, -0.0023614400000000 ] - [ 0.0004391800000000, 0.0010632300000000, -0.0035241000000000 ] - [ 0.0040340200000000, -0.0008163700000000, 0.0021047800000000 ] - [ 0.0015209800000000, 0.0005144400000000, 0.0019701100000000 ] - [ -0.0004618400000000, 0.0018433200000000, 0.0036397300000000 ] - [ 0.0016782800000000, -0.0002098100000000, 0.0043719400000000 ] - [ -0.0007923300000000, 0.0005098100000000, -0.0034187900000000 ] - [ -0.0000988000000000, -0.0010243700000000, -0.0019171300000000 ] - [ -0.0107041500000000, -0.0155852400000000, 0.0041325100000000 ] - [ -0.0012833700000000, 0.0004654700000000, 0.0032992400000000 ] - [ 0.0015255400000000, -0.0054310600000000, -0.0053256500000000 ] - [ -0.0012722000000000, 0.0047396000000000, -0.0088923500000000 ] - [ -0.0001910100000000, -0.0017412000000000, 0.0031759200000000 ] - [ -0.0002018300000000, 0.0000771200000000, 0.0025060600000000 ] - [ -0.0020517600000000, -0.0070791800000000, 0.0017605300000000 ] - [ -0.0027556500000000, 0.0205960700000000, 0.0058708700000000 ] - [ -0.0009494800000000, 0.0001984600000000, 0.0016183700000000 ] - [ -0.0010998600000000, -0.0012332900000000, 0.0018458100000000 ] - [ -0.0103607600000000, 0.0094431500000000, 0.0034823000000000 ] - [ 0.0003709100000000, -0.0046800800000000, -0.0003652900000000 ] - [ -0.0005944200000000, -0.0002782500000000, 0.0046330100000000 ] - [ -0.0000646400000000, 0.0007490400000000, 0.0025279500000000 ] - [ 0.0033668400000000, -0.0365246500000000, -0.1239350100000000 ] - [ 0.0001749700000000, -0.0000792800000000, -0.0035545400000000 ] - [ 0.0001917600000000, 0.0019135600000000, -0.0001473800000000 ] - [ 0.0026773000000000, -0.0006526400000000, 0.0206550800000000 ] - [ 0.0003453100000000, 0.0003346100000000, 0.0014957100000000 ] - [ 0.0003056600000000, 0.0006791900000000, 0.0009517200000000 ] - [ 0.0000641700000000, 0.0007833200000000, -0.0002015700000000 ] - [ -0.0022973900000000, 0.0005751700000000, 0.0016376500000000 ] - [ -0.0000664400000000, -0.0026241700000000, -0.0032184400000000 ] - [ 0.0075524300000000, 0.0060670400000000, -0.0059063000000000 ] - [ 0.0007042200000000, -0.0019315800000000, 0.0024976400000000 ] - [ 0.0007891300000000, 0.0005343900000000, 0.0007308900000000 ] - [ 0.0002839300000000, 0.0000860400000000, 0.0022739300000000 ] - [ 0.0000773400000000, -0.0000637900000000, 0.0029060300000000 ] - [ -0.0007705100000000, 0.0012096100000000, -0.0039620400000000 ] - [ -0.0009200600000000, -0.0001710500000000, -0.0038004100000000 ] - [ 0.0005350800000000, 0.0013941200000000, 0.0011116000000000 ] - [ 0.0003420700000000, -0.0008331400000000, -0.0002149300000000 ] - [ 0.0003065800000000, 0.0005805900000000, 0.0000558100000000 ] - [ 0.0017983100000000, 0.0008206100000000, 0.0008933700000000 ] - [ -0.0026540000000000, -0.0003742400000000, -0.0074193100000000 ] - [ -0.0000989400000000, -0.0000600800000000, -0.0027609700000000 ] - [ 0.0001385400000000, 0.0000445800000000, 0.0030057000000000 ] - [ 0.0000480200000000, 0.0000389700000000, 0.0020564100000000 ] - [ 0.0009384000000000, 0.0013616200000000, 0.0011244000000000 ] - [ 0.0014601400000000, -0.0006094400000000, 0.0017527500000000 ] - [ 0.0097071000000000, 0.0011207600000000, -0.0019462000000000 ] - [ 0.0002119300000000, 0.0007002900000000, -0.0020117300000000 ] - [ 0.0030351300000000, -0.0027759500000000, 0.0000666300000000 ] - [ 0.0000922900000000, 0.0012602000000000, -0.0000088700000000 ] - [ 0.0005642800000000, -0.0012602400000000, 0.0011799600000000 ] - [ 0.0005528700000000, 0.0000332800000000, 0.0009312500000000 ] - [ 0.0060598300000000, 0.0139374600000000, 0.0139801200000000 ] - [ 0.0001439400000000, -0.0017293100000000, -0.0005547700000000 ] - [ 0.0025073100000000, 0.0060507700000000, -0.0066719900000000 ] - [ 0.0009803400000000, -0.0011786900000000, -0.0069171400000000 ] - [ -0.0003975600000000, 0.0002467300000000, 0.0028591400000000 ] - [ 0.0003904900000000, -0.0017075400000000, 0.0033271800000000 ] - [ 0.0001732300000000, 0.0000023900000000, -0.0015293800000000 ] - [ -0.0139501300000000, 0.0016991300000000, -0.0002922400000000 ] - [ -0.0014442500000000, 0.0000565100000000, 0.0015569600000000 ] - [ -0.0009239200000000, 0.0009282700000000, 0.0011647800000000 ] - [ -0.0002462000000000, 0.0015219800000000, -0.0006453900000000 ] - [ 0.0023489100000000, -0.0088038300000000, 0.0244577600000000 ] - [ -0.0004309900000000, 0.0002873100000000, 0.0030957800000000 ] - [ -0.0002076100000000, 0.0009691700000000, 0.0023983400000000 ]- atom: 43 displacement: [ 0.0014701282124378, 0.0000000000000000, -0.0098913458659069 ] forces: - [ -0.0005542400000000, -0.0005131800000000, 0.0043460300000000 ] - [ -0.0004486800000000, -0.0005391100000000, 0.0030525100000000 ] - [ -0.0005596200000000, 0.0041470600000000, -0.0038691800000000 ] - [ -0.0048387000000000, -0.0078268600000000, -0.0122702500000000 ] - [ 0.0016939500000000, 0.0001353600000000, -0.0185042200000000 ] - [ 0.0017983300000000, 0.0026555000000000, -0.0021052400000000 ] - [ 0.0004095000000000, -0.0009284500000000, 0.0022713100000000 ] - [ 0.0020743900000000, 0.0016520100000000, 0.0047854600000000 ] - [ 0.0012941900000000, -0.0010511000000000, 0.0046950400000000 ] - [ 0.0006192300000000, -0.0003950300000000, 0.0022608300000000 ] - [ 0.0017545700000000, 0.0032182000000000, -0.0021873900000000 ] - [ 0.0037682600000000, -0.0053164500000000, -0.0017754400000000 ] - [ -0.0062312200000000, -0.0064232200000000, -0.0100460400000000 ] - [ -0.0023347900000000, 0.0021343800000000, -0.0055260600000000 ] - [ -0.0003041900000000, -0.0000779800000000, 0.0029545900000000 ] - [ -0.0008413300000000, 0.0007310100000000, 0.0040781000000000 ] - [ -0.0027488100000000, -0.0064996500000000, 0.0088605300000000 ] - [ 0.0007521700000000, 0.0031979100000000, 0.0068416800000000 ] - [ -0.0008076800000000, -0.0017137100000000, -0.0066125600000000 ] - [ 0.0067936800000000, -0.0016608800000000, -0.0367012400000000 ] - [ 0.0004088100000000, 0.0011781500000000, 0.0025193400000000 ] - [ -0.0002749600000000, -0.0014270800000000, 0.0036772400000000 ] - [ -0.0039641600000000, 0.0009653000000000, -0.0025532500000000 ] - [ -0.0014117700000000, -0.0003389200000000, -0.0023977000000000 ] - [ 0.0003492400000000, -0.0016854300000000, -0.0032307800000000 ] - [ -0.0017555800000000, 0.0004041600000000, -0.0039265500000000 ] - [ 0.0006298800000000, -0.0008659600000000, 0.0032871300000000 ] - [ -0.0000682100000000, 0.0006615600000000, 0.0017773500000000 ] - [ 0.0106826900000000, 0.0148168000000000, -0.0050238000000000 ] - [ 0.0014589100000000, -0.0005799600000000, -0.0032539500000000 ] - [ -0.0018458300000000, 0.0054195600000000, 0.0053511900000000 ] - [ 0.0009712000000000, -0.0048343800000000, 0.0089600000000000 ] - [ 0.0004521100000000, 0.0014576700000000, -0.0030927900000000 ] - [ 0.0004600700000000, -0.0003480000000000, -0.0024245400000000 ] - [ 0.0021371900000000, 0.0073300400000000, -0.0018846400000000 ] - [ 0.0028263200000000, -0.0201982700000000, -0.0059133700000000 ] - [ 0.0010022900000000, -0.0001789600000000, -0.0015153500000000 ] - [ 0.0011575800000000, 0.0012642800000000, -0.0017438300000000 ] - [ 0.0099817000000000, -0.0095085100000000, -0.0031248500000000 ] - [ -0.0008857000000000, 0.0047343800000000, 0.0007415800000000 ] - [ 0.0004497000000000, 0.0002898900000000, -0.0042459900000000 ] - [ -0.0000756500000000, -0.0007230400000000, -0.0021602100000000 ] - [ -0.0033184100000000, 0.0357813100000000, 0.1236673500000000 ] - [ -0.0003366200000000, 0.0002357800000000, 0.0032890500000000 ] - [ -0.0000964700000000, -0.0016225300000000, 0.0006323100000000 ] - [ -0.0025406400000000, 0.0009641000000000, -0.0198169000000000 ] - [ -0.0005075700000000, -0.0005464100000000, -0.0014274900000000 ] - [ -0.0004684900000000, -0.0008908400000000, -0.0008834000000000 ] - [ -0.0000260200000000, -0.0004887900000000, 0.0001852000000000 ] - [ 0.0023376500000000, -0.0002722900000000, -0.0016485500000000 ] - [ 0.0000009100000000, 0.0026272200000000, 0.0033481800000000 ] - [ -0.0076607800000000, -0.0061635500000000, 0.0059609700000000 ] - [ -0.0010363300000000, 0.0016401300000000, -0.0028912100000000 ] - [ -0.0011335700000000, -0.0008171800000000, -0.0010986500000000 ] - [ -0.0001338800000000, -0.0000031900000000, -0.0023948300000000 ] - [ 0.0000727100000000, 0.0001508100000000, -0.0030213900000000 ] - [ 0.0006102500000000, -0.0012269300000000, 0.0040527900000000 ] - [ 0.0007566300000000, 0.0001441300000000, 0.0038910100000000 ] - [ -0.0003601400000000, -0.0012257700000000, -0.0016019400000000 ] - [ -0.0001651500000000, 0.0010039800000000, -0.0002734000000000 ] - [ -0.0004837000000000, -0.0004116000000000, 0.0004336800000000 ] - [ -0.0019717100000000, -0.0006553200000000, -0.0004192200000000 ] - [ 0.0027418000000000, 0.0003455500000000, 0.0073586500000000 ] - [ 0.0002679500000000, 0.0000393100000000, 0.0026949900000000 ] - [ -0.0002881200000000, 0.0000352700000000, -0.0029007400000000 ] - [ -0.0001988100000000, 0.0000456200000000, -0.0019456700000000 ] - [ -0.0005937600000000, -0.0016541800000000, -0.0007611900000000 ] - [ -0.0011258400000000, 0.0003245400000000, -0.0013916600000000 ] - [ -0.0096588900000000, -0.0011163900000000, 0.0019008400000000 ] - [ -0.0001415100000000, -0.0007213900000000, 0.0018969500000000 ] - [ -0.0030480500000000, 0.0030880800000000, -0.0000613400000000 ] - [ -0.0001378000000000, -0.0009763500000000, 0.0000206500000000 ] - [ -0.0004027200000000, 0.0010519600000000, -0.0012536500000000 ] - [ -0.0003899000000000, -0.0002408600000000, -0.0010057400000000 ] - [ -0.0062155300000000, -0.0137696500000000, -0.0146394900000000 ] - [ -0.0002375100000000, 0.0020329000000000, 0.0000805600000000 ] - [ -0.0023462400000000, -0.0058547400000000, 0.0070072300000000 ] - [ -0.0007971000000000, 0.0012465300000000, 0.0072191400000000 ] - [ 0.0005418000000000, -0.0002293700000000, -0.0032405900000000 ] - [ -0.0002542300000000, 0.0017510200000000, -0.0037194400000000 ] - [ 0.0003285100000000, 0.0000390600000000, 0.0011579100000000 ] - [ 0.0143960100000000, -0.0016651300000000, -0.0001297500000000 ] - [ 0.0013867100000000, -0.0000374200000000, -0.0016677800000000 ] - [ 0.0008736400000000, -0.0009033200000000, -0.0012722900000000 ] - [ 0.0001583000000000, -0.0012668600000000, 0.0007747900000000 ] - [ -0.0024912900000000, 0.0092707900000000, -0.0247964400000000 ] - [ 0.0001712200000000, -0.0005672400000000, -0.0031912800000000 ] - [ -0.0000522300000000, -0.0012498500000000, -0.0024889300000000 ]- atom: 45 displacement: [ 0.0099999999959232, 0.0000000000000000, 0.0000002855446085 ] forces: - [ 0.0005175800000000, -0.0002924300000000, 0.0002229600000000 ] - [ 0.0004145500000000, 0.0004013900000000, 0.0011049800000000 ] - [ 0.0016223000000000, 0.0000182500000000, 0.0011807200000000 ] - [ 0.0004275300000000, 0.0007439500000000, 0.0012896600000000 ] - [ 0.0014997300000000, -0.0004218600000000, 0.0002530900000000 ] - [ 0.0084600400000000, 0.0031574900000000, 0.0005371700000000 ] - [ 0.0004971400000000, -0.0051942500000000, -0.0092851000000000 ] - [ 0.0014912400000000, 0.0008169200000000, -0.0015846500000000 ] - [ -0.0004863700000000, -0.0004912400000000, -0.0003647100000000 ] - [ -0.0002421000000000, -0.0000390800000000, -0.0003221500000000 ] - [ -0.0012905800000000, -0.0007151700000000, -0.0012105300000000 ] - [ -0.0003706000000000, 0.0002371800000000, 0.0000802500000000 ] - [ -0.0022906400000000, 0.0019274600000000, -0.0002701400000000 ] - [ -0.0039307800000000, -0.0029311000000000, -0.0023618900000000 ] - [ -0.0021277900000000, 0.0011976000000000, 0.0025515400000000 ] - [ -0.0014841000000000, -0.0007600100000000, -0.0001825200000000 ] - [ 0.0017757200000000, 0.0013247600000000, 0.0019121200000000 ] - [ 0.0191258200000000, 0.0109450700000000, -0.0069665600000000 ] - [ 0.0243322900000000, -0.0220341400000000, 0.0264321300000000 ] - [ 0.0021910400000000, -0.0005019400000000, -0.0008097300000000 ] - [ 0.0002517300000000, 0.0005693100000000, -0.0008123500000000 ] - [ 0.0002676200000000, -0.0001757600000000, 0.0000427200000000 ] - [ -0.0002441700000000, 0.0001836800000000, -0.0001389100000000 ] - [ -0.0005694600000000, 0.0003875400000000, 0.0007393100000000 ] - [ -0.0104261500000000, -0.0041805300000000, 0.0057675700000000 ] - [ -0.0019421300000000, 0.0016039700000000, 0.0007765100000000 ] - [ -0.0012509000000000, -0.0009040400000000, -0.0001862000000000 ] - [ -0.0088183300000000, 0.0014615900000000, -0.0036021500000000 ] - [ 0.0010056700000000, 0.0021374200000000, -0.0012673000000000 ] - [ 0.0003421300000000, -0.0007010600000000, -0.0005609500000000 ] - [ -0.0000362100000000, -0.0001206700000000, -0.0003370800000000 ] - [ -0.0002940900000000, -0.0000817200000000, -0.0000386300000000 ] - [ -0.0009384300000000, -0.0005682900000000, -0.0008781600000000 ] - [ 0.0006759800000000, 0.0053961800000000, -0.0048778800000000 ] - [ -0.0001319000000000, -0.0058644300000000, -0.0016899000000000 ] - [ -0.0018613900000000, 0.0064957300000000, 0.0026114900000000 ] - [ -0.0003462800000000, 0.0000319200000000, 0.0001581000000000 ] - [ -0.0001292600000000, 0.0001268500000000, -0.0001080600000000 ] - [ -0.0008484600000000, 0.0001495700000000, 0.0000574000000000 ] - [ -0.0006411500000000, 0.0001461300000000, -0.0001522300000000 ] - [ -0.0005460400000000, -0.0000483500000000, -0.0000640800000000 ] - [ -0.0039198600000000, -0.0007780700000000, -0.0020756200000000 ] - [ -0.0008297800000000, -0.0004768600000000, -0.0001017200000000 ] - [ -0.0051131800000000, 0.0039867200000000, 0.0017954000000000 ] - [ -0.0744269200000000, 0.0121724300000000, -0.0141493200000000 ] - [ -0.0006658600000000, -0.0001698300000000, 0.0001764500000000 ] - [ -0.0002249400000000, 0.0000499600000000, 0.0000968300000000 ] - [ -0.0004450200000000, -0.0004873600000000, -0.0001624100000000 ] - [ 0.0002333200000000, 0.0003507100000000, -0.0001253200000000 ] - [ 0.0001773900000000, 0.0000189400000000, -0.0000710900000000 ] - [ -0.0018848800000000, 0.0037842300000000, -0.0043376400000000 ] - [ -0.0014385100000000, -0.0053598000000000, -0.0007313100000000 ] - [ -0.0007079900000000, 0.0018547100000000, -0.0001626400000000 ] - [ 0.0017377200000000, -0.0082750900000000, 0.0050208700000000 ] - [ -0.0002201500000000, 0.0009606200000000, 0.0028285300000000 ] - [ -0.0002237700000000, 0.0000793800000000, 0.0001874300000000 ] - [ 0.0012386800000000, 0.0002186300000000, -0.0004475500000000 ] - [ 0.0004568100000000, 0.0000124000000000, -0.0002883300000000 ] - [ 0.0002545100000000, 0.0001066800000000, 0.0000653700000000 ] - [ 0.0002214100000000, -0.0001225600000000, -0.0003936800000000 ] - [ 0.0238013700000000, 0.0013523300000000, -0.0025655900000000 ] - [ 0.0000741900000000, -0.0001504300000000, 0.0003144000000000 ] - [ 0.0003699800000000, -0.0006162600000000, -0.0005261300000000 ] - [ 0.0019935800000000, 0.0011548800000000, -0.0021815900000000 ] - [ 0.0003252400000000, 0.0001516100000000, 0.0003889100000000 ] - [ 0.0012979500000000, -0.0004880500000000, 0.0009908100000000 ] - [ 0.0003915600000000, -0.0000874600000000, 0.0004675400000000 ] - [ 0.0002991100000000, -0.0000988200000000, 0.0002440100000000 ] - [ 0.0005625900000000, -0.0005404200000000, 0.0001510900000000 ] - [ 0.0003787100000000, 0.0003212600000000, 0.0001612200000000 ] - [ 0.0010364800000000, 0.0010728800000000, -0.0001011300000000 ] - [ 0.0024473100000000, -0.0009321600000000, 0.0000280600000000 ] - [ 0.0015682000000000, 0.0004107100000000, 0.0001374600000000 ] - [ 0.0014399100000000, -0.0012138700000000, 0.0006904800000000 ] - [ 0.0000140300000000, 0.0002778400000000, 0.0004389000000000 ] - [ 0.0000145500000000, 0.0001610400000000, -0.0001561800000000 ] - [ 0.0020860400000000, -0.0040509300000000, 0.0066587100000000 ] - [ -0.0000909000000000, 0.0003789200000000, 0.0003033100000000 ] - [ 0.0002558900000000, -0.0001662700000000, -0.0001261400000000 ] - [ 0.0004395200000000, 0.0000166400000000, -0.0003295000000000 ] - [ 0.0128748300000000, -0.0016419900000000, 0.0044529300000000 ] - [ 0.0008894600000000, -0.0004804200000000, -0.0003875300000000 ] - [ 0.0006621300000000, 0.0000566200000000, -0.0002506800000000 ] - [ 0.0095145900000000, 0.0043506500000000, -0.0040672400000000 ] - [ -0.0002692900000000, 0.0001922100000000, 0.0003816500000000 ] - [ -0.0002258300000000, -0.0006299500000000, 0.0001997700000000 ] - [ -0.0000489000000000, 0.0000018100000000, 0.0000051000000000 ] - [ 0.0000279200000000, -0.0001620900000000, -0.0000927300000000 ]- atom: 45 displacement: [ -0.0099999999959232, 0.0000000000000000, -0.0000002855446085 ] forces: - [ -0.0005498400000000, 0.0001334400000000, -0.0001071900000000 ] - [ -0.0004493600000000, -0.0005675300000000, -0.0009797500000000 ] - [ -0.0014116600000000, 0.0004373200000000, -0.0009061000000000 ] - [ -0.0002316300000000, -0.0002873500000000, -0.0010099300000000 ] - [ -0.0013726500000000, 0.0003980700000000, -0.0003729500000000 ] - [ -0.0080590700000000, -0.0034292600000000, -0.0008996100000000 ] - [ -0.0004862600000000, 0.0047906400000000, 0.0090512200000000 ] - [ -0.0015603200000000, -0.0012554300000000, 0.0013024000000000 ] - [ 0.0005622700000000, 0.0000547500000000, 0.0006443700000000 ] - [ 0.0003196700000000, -0.0003947500000000, 0.0005999000000000 ] - [ 0.0011621800000000, 0.0006856100000000, 0.0013305300000000 ] - [ 0.0002508500000000, -0.0002622100000000, 0.0000390800000000 ] - [ 0.0020839000000000, -0.0014783400000000, 0.0000027600000000 ] - [ 0.0037248000000000, 0.0034162200000000, 0.0021151800000000 ] - [ 0.0021500800000000, -0.0013581100000000, -0.0026925600000000 ] - [ 0.0015112400000000, 0.0005992800000000, 0.0000679700000000 ] - [ -0.0014630600000000, -0.0013600800000000, -0.0019260800000000 ] - [ -0.0187245700000000, -0.0112362200000000, 0.0071228100000000 ] - [ -0.0242168300000000, 0.0221436100000000, -0.0268298100000000 ] - [ -0.0023432100000000, 0.0003463200000000, 0.0007072700000000 ] - [ -0.0000791700000000, -0.0009252600000000, 0.0009730300000000 ] - [ -0.0000954700000000, -0.0001870100000000, 0.0001214300000000 ] - [ 0.0003600500000000, -0.0000137000000000, -0.0002669700000000 ] - [ 0.0006811700000000, -0.0002106900000000, -0.0011384300000000 ] - [ 0.0103443500000000, 0.0043105800000000, -0.0053253000000000 ] - [ 0.0018176400000000, -0.0014187500000000, -0.0003655300000000 ] - [ 0.0010852200000000, 0.0005349700000000, 0.0000187300000000 ] - [ 0.0086708400000000, -0.0017790700000000, 0.0034136100000000 ] - [ -0.0008379500000000, -0.0022660600000000, 0.0013560200000000 ] - [ -0.0001811400000000, 0.0005413900000000, 0.0006411400000000 ] - [ -0.0002800500000000, 0.0000794100000000, 0.0003524900000000 ] - [ -0.0000226500000000, 0.0000369300000000, 0.0000550600000000 ] - [ 0.0012012600000000, 0.0002880800000000, 0.0009593700000000 ] - [ -0.0004491100000000, -0.0056683700000000, 0.0049600800000000 ] - [ 0.0002316500000000, 0.0061091900000000, 0.0015686200000000 ] - [ 0.0019862700000000, -0.0062114000000000, -0.0027069400000000 ] - [ 0.0003899500000000, -0.0000090700000000, -0.0000544100000000 ] - [ 0.0001743500000000, -0.0001007800000000, 0.0002086700000000 ] - [ 0.0003407200000000, -0.0001103700000000, 0.0003132000000000 ] - [ 0.0001327100000000, -0.0001048300000000, 0.0005207600000000 ] - [ 0.0004032600000000, 0.0000691800000000, 0.0004338600000000 ] - [ 0.0038091100000000, 0.0008141800000000, 0.0023810100000000 ] - [ 0.0006684100000000, 0.0006341800000000, -0.0001705800000000 ] - [ 0.0049473100000000, -0.0037988200000000, -0.0019855000000000 ] - [ 0.0734042300000000, -0.0116119600000000, 0.0149353600000000 ] - [ 0.0007541500000000, 0.0004514200000000, 0.0003204800000000 ] - [ 0.0000607200000000, -0.0002621200000000, -0.0000301400000000 ] - [ 0.0002777100000000, 0.0002713500000000, 0.0002267000000000 ] - [ -0.0001975300000000, -0.0000499700000000, 0.0000989300000000 ] - [ -0.0001408900000000, 0.0002808200000000, 0.0000451000000000 ] - [ 0.0017934100000000, -0.0037688600000000, 0.0044418300000000 ] - [ 0.0013609800000000, 0.0053026300000000, 0.0008550600000000 ] - [ 0.0003491400000000, -0.0021442400000000, -0.0001966300000000 ] - [ -0.0021173400000000, 0.0079688900000000, -0.0053652600000000 ] - [ 0.0003681900000000, -0.0008699900000000, -0.0029295500000000 ] - [ 0.0003702900000000, 0.0000064400000000, -0.0003059600000000 ] - [ -0.0014035400000000, -0.0002307700000000, 0.0005078800000000 ] - [ -0.0006218500000000, -0.0000368600000000, 0.0003578500000000 ] - [ -0.0000772900000000, 0.0000580700000000, -0.0005658100000000 ] - [ -0.0000439500000000, 0.0002861100000000, -0.0001087300000000 ] - [ -0.0235147400000000, -0.0011971400000000, 0.0030524100000000 ] - [ -0.0002516000000000, 0.0003152900000000, 0.0001883200000000 ] - [ -0.0002009500000000, 0.0005912300000000, 0.0004487900000000 ] - [ -0.0018272300000000, -0.0011819400000000, 0.0020897900000000 ] - [ -0.0004760700000000, -0.0000650500000000, -0.0002691800000000 ] - [ -0.0014493700000000, 0.0005735600000000, -0.0008633700000000 ] - [ -0.0000401900000000, -0.0002004900000000, -0.0001095200000000 ] - [ 0.0000513700000000, -0.0001884700000000, 0.0001135600000000 ] - [ -0.0004942100000000, 0.0005281700000000, -0.0002755500000000 ] - [ -0.0003074000000000, -0.0003323900000000, -0.0002883100000000 ] - [ -0.0010716400000000, -0.0007560700000000, 0.0001298900000000 ] - [ -0.0024834300000000, 0.0012203800000000, -0.0000074900000000 ] - [ -0.0014056600000000, -0.0006179500000000, -0.0001991700000000 ] - [ -0.0012768200000000, 0.0009867600000000, -0.0007522600000000 ] - [ -0.0001035100000000, 0.0000052000000000, -0.0009305600000000 ] - [ -0.0001030400000000, 0.0001249300000000, -0.0003355800000000 ] - [ -0.0019366700000000, 0.0041832700000000, -0.0063496400000000 ] - [ 0.0002508700000000, -0.0002165600000000, -0.0000319100000000 ] - [ -0.0001113200000000, 0.0001871000000000, -0.0002421500000000 ] - [ -0.0002946900000000, 0.0000050800000000, -0.0000398700000000 ] - [ -0.0124152000000000, 0.0017300500000000, -0.0049129700000000 ] - [ -0.0003814400000000, 0.0005196600000000, 0.0000160800000000 ] - [ -0.0007028700000000, -0.0000322400000000, 0.0001479700000000 ] - [ -0.0096160300000000, -0.0043987500000000, 0.0040342800000000 ] - [ 0.0001820700000000, 0.0000766200000000, -0.0002585300000000 ] - [ 0.0001374500000000, 0.0008938600000000, -0.0000844000000000 ] - [ -0.0002086700000000, -0.0002786200000000, -0.0000887000000000 ] - [ -0.0002807100000000, -0.0001163100000000, 0.0000080300000000 ]- atom: 45 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0000057500000000, -0.0013124500000000, -0.0003496400000000 ] - [ 0.0002450100000000, 0.0010313200000000, 0.0055881000000000 ] - [ -0.0018676300000000, 0.0029640900000000, 0.0046523500000000 ] - [ 0.0000148300000000, -0.0011031300000000, -0.0011880000000000 ] - [ -0.0023713300000000, -0.0077445300000000, -0.0000521200000000 ] - [ 0.0023011600000000, 0.0112929900000000, -0.0055452000000000 ] - [ -0.0022959300000000, 0.0055907300000000, -0.0079044600000000 ] - [ 0.0017001800000000, -0.0065666600000000, 0.0016055800000000 ] - [ -0.0001481200000000, -0.0011394600000000, 0.0009051600000000 ] - [ 0.0001357000000000, 0.0003544900000000, 0.0021370300000000 ] - [ 0.0019176600000000, 0.0022344800000000, 0.0033734200000000 ] - [ -0.0000284900000000, -0.0011991900000000, 0.0001503200000000 ] - [ 0.0037121800000000, -0.0051226400000000, 0.0010787900000000 ] - [ -0.0033423800000000, 0.0061552000000000, -0.0056850900000000 ] - [ 0.0000160100000000, 0.0058180600000000, -0.0004709400000000 ] - [ -0.0022357000000000, -0.0053567200000000, 0.0007861300000000 ] - [ 0.0005748600000000, -0.0094521100000000, -0.0077445400000000 ] - [ 0.0065406300000000, 0.0194210600000000, 0.0024864900000000 ] - [ -0.0174260200000000, 0.0460941600000000, -0.0386415700000000 ] - [ -0.0000841300000000, -0.0113709200000000, -0.0051810900000000 ] - [ 0.0004424600000000, 0.0021482100000000, 0.0014659800000000 ] - [ 0.0004827700000000, -0.0019434200000000, 0.0022541800000000 ] - [ 0.0001717000000000, -0.0020209300000000, 0.0013000000000000 ] - [ 0.0001217100000000, 0.0017246000000000, -0.0002018800000000 ] - [ 0.0004737000000000, 0.0052198400000000, -0.0023183600000000 ] - [ 0.0009844200000000, -0.0044994800000000, -0.0016524100000000 ] - [ -0.0014672100000000, -0.0029422900000000, -0.0026777900000000 ] - [ 0.0021183100000000, 0.0035083400000000, 0.0003430200000000 ] - [ -0.0011296100000000, -0.0064452400000000, 0.0036178400000000 ] - [ 0.0005430400000000, 0.0030566100000000, 0.0012460100000000 ] - [ -0.0004230200000000, 0.0017058400000000, 0.0026914400000000 ] - [ -0.0006361300000000, -0.0012978100000000, 0.0027537700000000 ] - [ -0.0007758100000000, 0.0006724400000000, 0.0038763000000000 ] - [ -0.0000411500000000, 0.0153128300000000, -0.0139519500000000 ] - [ -0.0028037900000000, 0.0157393400000000, 0.0024205700000000 ] - [ 0.0079109900000000, 0.0202374700000000, 0.0106619100000000 ] - [ 0.0000364800000000, -0.0003589100000000, -0.0004307000000000 ] - [ 0.0000994300000000, 0.0009669300000000, -0.0011634300000000 ] - [ 0.0007073100000000, 0.0010793900000000, -0.0008356300000000 ] - [ 0.0000605800000000, -0.0006333800000000, 0.0003098100000000 ] - [ 0.0005079300000000, 0.0045795800000000, 0.0020985200000000 ] - [ -0.0005807500000000, -0.0076394200000000, -0.0086067800000000 ] - [ -0.0001624100000000, 0.0044829600000000, 0.0016300000000000 ] - [ 0.0034597600000000, -0.0120488800000000, -0.0003645200000000 ] - [ 0.0125729000000000, -0.1202802800000000, 0.0818155000000000 ] - [ -0.0002624800000000, 0.0048967400000000, -0.0001838900000000 ] - [ 0.0001636500000000, 0.0008784800000000, 0.0000163300000000 ] - [ -0.0011185200000000, -0.0019052800000000, -0.0014934200000000 ] - [ 0.0004794400000000, -0.0010507400000000, -0.0008010700000000 ] - [ -0.0002376200000000, 0.0014999500000000, -0.0008057700000000 ] - [ 0.0120825900000000, 0.0044490800000000, -0.0073529600000000 ] - [ -0.0004752300000000, 0.0048267100000000, 0.0019682700000000 ] - [ 0.0020991700000000, 0.0034496300000000, 0.0021912900000000 ] - [ -0.0113885600000000, 0.0114069300000000, -0.0053663000000000 ] - [ -0.0000045400000000, 0.0002785200000000, 0.0013387100000000 ] - [ -0.0007040500000000, 0.0006496500000000, -0.0024748400000000 ] - [ -0.0004374600000000, 0.0004903600000000, -0.0012925000000000 ] - [ -0.0002667000000000, -0.0001119900000000, 0.0009441800000000 ] - [ -0.0000979600000000, -0.0001574700000000, -0.0013010700000000 ] - [ 0.0000675400000000, -0.0001110500000000, -0.0010738200000000 ] - [ -0.0015756500000000, -0.0078787900000000, 0.0032387900000000 ] - [ 0.0002703400000000, 0.0027615100000000, 0.0005080500000000 ] - [ 0.0001097100000000, 0.0023056100000000, 0.0003983100000000 ] - [ -0.0016200300000000, -0.0047949900000000, 0.0009497600000000 ] - [ -0.0003075900000000, 0.0023621400000000, 0.0006327700000000 ] - [ 0.0005028100000000, -0.0021774900000000, -0.0016806900000000 ] - [ 0.0001553400000000, -0.0010084100000000, -0.0010710800000000 ] - [ 0.0001372700000000, 0.0003059200000000, -0.0004249300000000 ] - [ -0.0006675700000000, 0.0019865400000000, -0.0010552600000000 ] - [ -0.0003558800000000, -0.0014706100000000, 0.0002560300000000 ] - [ -0.0000774000000000, 0.0011150300000000, 0.0011752100000000 ] - [ -0.0018834400000000, 0.0013370700000000, 0.0015154400000000 ] - [ 0.0010095100000000, -0.0011748300000000, 0.0008074800000000 ] - [ -0.0011362200000000, 0.0015539900000000, -0.0011113800000000 ] - [ -0.0000640800000000, -0.0004063600000000, -0.0023605800000000 ] - [ -0.0001802100000000, -0.0003993200000000, -0.0013373900000000 ] - [ -0.0026073500000000, 0.0102743200000000, -0.0142681700000000 ] - [ 0.0002135200000000, -0.0004612700000000, 0.0020499800000000 ] - [ -0.0000209300000000, -0.0004433300000000, -0.0008521100000000 ] - [ 0.0007860600000000, 0.0006841600000000, -0.0020365400000000 ] - [ -0.0128349000000000, -0.0075374200000000, -0.0014114900000000 ] - [ 0.0012218900000000, 0.0032409200000000, 0.0009952700000000 ] - [ -0.0008162500000000, 0.0022687900000000, 0.0013770100000000 ] - [ 0.0095293300000000, -0.0038617100000000, -0.0020413400000000 ] - [ -0.0004200700000000, -0.0010160000000000, -0.0011720500000000 ] - [ 0.0002982700000000, 0.0028485700000000, -0.0012207400000000 ] - [ -0.0002916700000000, 0.0007436400000000, -0.0008794500000000 ] - [ 0.0006880900000000, -0.0015603100000000, -0.0015761500000000 ]- atom: 45 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0000408000000000, 0.0011621900000000, 0.0004607400000000 ] - [ -0.0002813400000000, -0.0012065700000000, -0.0054925000000000 ] - [ 0.0020728000000000, -0.0024960200000000, -0.0043954800000000 ] - [ 0.0001767900000000, 0.0015545600000000, 0.0014640200000000 ] - [ 0.0024752600000000, 0.0077294100000000, -0.0000574400000000 ] - [ -0.0018450100000000, -0.0118071300000000, 0.0051327900000000 ] - [ 0.0022696200000000, -0.0059740300000000, 0.0077347800000000 ] - [ -0.0017899800000000, 0.0061493100000000, -0.0018981400000000 ] - [ 0.0002273900000000, 0.0007102200000000, -0.0006272900000000 ] - [ -0.0000587300000000, -0.0007956100000000, -0.0018610600000000 ] - [ -0.0020378700000000, -0.0022592600000000, -0.0032670900000000 ] - [ -0.0000875500000000, 0.0011713200000000, -0.0000301400000000 ] - [ -0.0038932500000000, 0.0055909600000000, -0.0013388800000000 ] - [ 0.0031425500000000, -0.0057726500000000, 0.0054155900000000 ] - [ 0.0000066200000000, -0.0059803900000000, 0.0003824800000000 ] - [ 0.0022874200000000, 0.0052134900000000, -0.0009078600000000 ] - [ -0.0002579900000000, 0.0094184900000000, 0.0077054500000000 ] - [ -0.0069261900000000, -0.0208786900000000, -0.0012960600000000 ] - [ 0.0163737000000000, -0.0452675200000000, 0.0364373800000000 ] - [ -0.0000966000000000, 0.0112838900000000, 0.0051310400000000 ] - [ -0.0002751200000000, -0.0025141700000000, -0.0013096800000000 ] - [ -0.0003141000000000, 0.0015850100000000, -0.0021033700000000 ] - [ -0.0000565600000000, 0.0022060600000000, -0.0017148400000000 ] - [ -0.0000061300000000, -0.0015625100000000, -0.0002136700000000 ] - [ -0.0005938000000000, -0.0050069100000000, 0.0027023200000000 ] - [ -0.0010940000000000, 0.0046762700000000, 0.0020726200000000 ] - [ 0.0012972500000000, 0.0025991000000000, 0.0025232100000000 ] - [ -0.0023136300000000, -0.0039406000000000, -0.0004845700000000 ] - [ 0.0012986500000000, 0.0063222100000000, -0.0035276500000000 ] - [ -0.0003892400000000, -0.0032393800000000, -0.0011807700000000 ] - [ 0.0001074300000000, -0.0017478300000000, -0.0026848300000000 ] - [ 0.0003236700000000, 0.0012527300000000, -0.0027481600000000 ] - [ 0.0010324900000000, -0.0009643300000000, -0.0037913200000000 ] - [ 0.0003152800000000, -0.0157516000000000, 0.0141318100000000 ] - [ 0.0028645600000000, -0.0154072200000000, -0.0025759700000000 ] - [ -0.0079727000000000, -0.0202575100000000, -0.0109530200000000 ] - [ 0.0000088800000000, 0.0003805800000000, 0.0005369200000000 ] - [ -0.0000546800000000, -0.0009450100000000, 0.0012708200000000 ] - [ -0.0012085700000000, -0.0010488600000000, 0.0012090900000000 ] - [ -0.0005675800000000, 0.0006811900000000, 0.0000626400000000 ] - [ -0.0006522700000000, -0.0045735000000000, -0.0017260900000000 ] - [ 0.0004556500000000, 0.0077587000000000, 0.0089857800000000 ] - [ 0.0000095700000000, -0.0043381600000000, -0.0019193400000000 ] - [ -0.0036159400000000, 0.0122177500000000, 0.0002192100000000 ] - [ -0.0112053400000000, 0.1218326500000000, -0.0802927100000000 ] - [ 0.0003585100000000, -0.0046272200000000, 0.0006833400000000 ] - [ -0.0003272700000000, -0.0010951400000000, 0.0000517100000000 ] - [ 0.0009586000000000, 0.0016984900000000, 0.0015640600000000 ] - [ -0.0004453900000000, 0.0013526300000000, 0.0007818000000000 ] - [ 0.0002747600000000, -0.0012057200000000, 0.0007839500000000 ] - [ -0.0121015600000000, -0.0044731200000000, 0.0074359300000000 ] - [ 0.0004310100000000, -0.0048186800000000, -0.0018514200000000 ] - [ -0.0024398900000000, -0.0037369200000000, -0.0025465600000000 ] - [ 0.0112019500000000, -0.0118163600000000, 0.0050822300000000 ] - [ 0.0001535900000000, -0.0001959700000000, -0.0014653500000000 ] - [ 0.0008574800000000, -0.0005640900000000, 0.0023703900000000 ] - [ 0.0002702000000000, -0.0005252800000000, 0.0013761500000000 ] - [ 0.0000996900000000, 0.0000940600000000, -0.0008743500000000 ] - [ 0.0002746600000000, 0.0003210100000000, 0.0008040400000000 ] - [ 0.0001084900000000, 0.0002804800000000, 0.0005793200000000 ] - [ 0.0012692200000000, 0.0080610100000000, -0.0027356200000000 ] - [ -0.0004445000000000, -0.0026028300000000, -0.0000116200000000 ] - [ 0.0000568700000000, -0.0023319000000000, -0.0004761700000000 ] - [ 0.0017908200000000, 0.0047965100000000, -0.0010201400000000 ] - [ 0.0001598400000000, -0.0022874600000000, -0.0005149700000000 ] - [ -0.0006537500000000, 0.0022699600000000, 0.0017975300000000 ] - [ 0.0001946600000000, 0.0007216800000000, 0.0014329800000000 ] - [ 0.0002125600000000, -0.0005943000000000, 0.0007853100000000 ] - [ 0.0007317300000000, -0.0020022300000000, 0.0009293800000000 ] - [ 0.0004265900000000, 0.0014654800000000, -0.0003790000000000 ] - [ 0.0000400100000000, -0.0008354100000000, -0.0011572000000000 ] - [ 0.0018528800000000, -0.0010283100000000, -0.0014926700000000 ] - [ -0.0008475500000000, 0.0009527600000000, -0.0008765200000000 ] - [ 0.0013087800000000, -0.0017581400000000, 0.0010456400000000 ] - [ -0.0000278900000000, 0.0006854100000000, 0.0018684800000000 ] - [ 0.0000926200000000, 0.0006925400000000, 0.0008529000000000 ] - [ 0.0027748900000000, -0.0100882700000000, 0.0145421900000000 ] - [ -0.0000548500000000, 0.0006339000000000, -0.0017934600000000 ] - [ 0.0001638800000000, 0.0004623700000000, 0.0004831900000000 ] - [ -0.0006470900000000, -0.0006621000000000, 0.0016747300000000 ] - [ 0.0133590300000000, 0.0075264900000000, 0.0010948100000000 ] - [ -0.0007323200000000, -0.0032153300000000, -0.0013741300000000 ] - [ 0.0007668800000000, -0.0022505000000000, -0.0014813700000000 ] - [ -0.0096111900000000, 0.0039757800000000, 0.0019139200000000 ] - [ 0.0003344600000000, 0.0012835200000000, 0.0013032700000000 ] - [ -0.0003868800000000, -0.0025825800000000, 0.0013376800000000 ] - [ 0.0000335200000000, -0.0010242800000000, 0.0008009500000000 ] - [ -0.0009486900000000, 0.0012874700000000, 0.0014939000000000 ]- atom: 45 displacement: [ -0.0014701282124378, 0.0000000000000000, 0.0098913458659069 ] forces: - [ 0.0001878500000000, -0.0011523200000000, -0.0021729100000000 ] - [ -0.0000436600000000, 0.0030573300000000, -0.0083831400000000 ] - [ 0.0035694100000000, 0.0008802100000000, -0.0066571800000000 ] - [ 0.0004867200000000, -0.0001602900000000, -0.0012868400000000 ] - [ 0.0014033200000000, 0.0043949800000000, 0.0034044900000000 ] - [ 0.0000160800000000, -0.0049635700000000, 0.0188726300000000 ] - [ -0.0126114400000000, -0.0119963400000000, -0.0071178100000000 ] - [ -0.0021984800000000, 0.0035085000000000, 0.0003763900000000 ] - [ -0.0003957700000000, -0.0005617200000000, -0.0020909700000000 ] - [ -0.0001997500000000, 0.0004815500000000, -0.0032861400000000 ] - [ -0.0023670000000000, -0.0008306100000000, -0.0046870300000000 ] - [ -0.0003945100000000, -0.0000030100000000, -0.0015558800000000 ] - [ -0.0026258000000000, 0.0037324000000000, 0.0006957600000000 ] - [ -0.0022840200000000, -0.0054955600000000, 0.0026973800000000 ] - [ 0.0063017400000000, -0.0053313600000000, -0.0042563000000000 ] - [ 0.0024858200000000, 0.0036652900000000, -0.0004468700000000 ] - [ 0.0011186500000000, -0.0011410500000000, 0.0096869800000000 ] - [ -0.0060269200000000, 0.0052934100000000, 0.0134050800000000 ] - [ 0.0194603600000000, -0.0380627000000000, 0.0731339400000000 ] - [ -0.0007662300000000, 0.0014030000000000, 0.0036765900000000 ] - [ -0.0004872900000000, -0.0011301300000000, -0.0059120500000000 ] - [ -0.0008841700000000, 0.0004600400000000, -0.0038966600000000 ] - [ 0.0004843800000000, 0.0015805600000000, -0.0030727600000000 ] - [ 0.0008033000000000, -0.0015001800000000, -0.0034621600000000 ] - [ -0.0001554500000000, -0.0007711500000000, 0.0062479500000000 ] - [ 0.0003391800000000, 0.0002917100000000, 0.0031847000000000 ] - [ -0.0004667700000000, -0.0017305200000000, 0.0045423000000000 ] - [ 0.0024148500000000, 0.0005228400000000, 0.0047813400000000 ] - [ 0.0005954100000000, 0.0052503600000000, -0.0047706600000000 ] - [ -0.0021359100000000, -0.0057617100000000, -0.0075881000000000 ] - [ 0.0005457000000000, -0.0013380600000000, -0.0067809900000000 ] - [ 0.0009090700000000, 0.0003586000000000, -0.0052109500000000 ] - [ -0.0007060000000000, 0.0056243100000000, 0.0007708100000000 ] - [ 0.0003367500000000, -0.0139795100000000, 0.0125504900000000 ] - [ 0.0013503900000000, -0.0115562900000000, -0.0097463500000000 ] - [ 0.0007448300000000, 0.0007318100000000, -0.0094059800000000 ] - [ -0.0005076900000000, -0.0000012800000000, 0.0018487800000000 ] - [ -0.0000991800000000, -0.0017352200000000, 0.0025641600000000 ] - [ -0.0011897100000000, -0.0015841800000000, 0.0016354700000000 ] - [ -0.0012428900000000, 0.0011083700000000, 0.0014930100000000 ] - [ -0.0002874800000000, -0.0022524200000000, -0.0012664000000000 ] - [ -0.0039107900000000, -0.0051887800000000, 0.0245989200000000 ] - [ -0.0000424300000000, -0.0012282300000000, -0.0005334600000000 ] - [ -0.0019059800000000, 0.0091970600000000, 0.0192884200000000 ] - [ -0.0027035700000000, 0.0780011500000000, -0.1419972800000000 ] - [ 0.0000783300000000, -0.0002361900000000, -0.0026483500000000 ] - [ 0.0003063000000000, 0.0004751600000000, 0.0009163600000000 ] - [ 0.0016077600000000, 0.0013878600000000, 0.0027323900000000 ] - [ -0.0007330900000000, 0.0004317700000000, 0.0029313600000000 ] - [ -0.0000146700000000, -0.0008047200000000, 0.0017959800000000 ] - [ -0.0110560000000000, -0.0076808500000000, 0.0047501300000000 ] - [ 0.0006042000000000, 0.0035489600000000, -0.0004376800000000 ] - [ -0.0001244500000000, 0.0025166400000000, -0.0036064400000000 ] - [ 0.0068171700000000, -0.0065679600000000, -0.0047380700000000 ] - [ 0.0001095000000000, 0.0013691900000000, 0.0049622400000000 ] - [ 0.0010497600000000, -0.0010777800000000, 0.0022029900000000 ] - [ 0.0000440000000000, -0.0012055900000000, 0.0014389100000000 ] - [ -0.0000368600000000, 0.0006448400000000, 0.0001402600000000 ] - [ 0.0002887700000000, 0.0008805900000000, 0.0024542500000000 ] - [ 0.0000075000000000, 0.0010301800000000, 0.0023129600000000 ] - [ -0.0000364300000000, 0.0028173700000000, -0.0090026700000000 ] - [ -0.0001466800000000, 0.0002059500000000, -0.0025158800000000 ] - [ -0.0001475000000000, -0.0006599500000000, -0.0001623600000000 ] - [ -0.0014940400000000, 0.0007534200000000, 0.0008801500000000 ] - [ 0.0000476200000000, -0.0010630900000000, -0.0001268700000000 ] - [ 0.0005243700000000, -0.0007561900000000, 0.0010352200000000 ] - [ 0.0004697200000000, 0.0005626100000000, 0.0027442300000000 ] - [ 0.0002947100000000, 0.0000182600000000, 0.0018368500000000 ] - [ 0.0007516800000000, -0.0014962400000000, 0.0009444300000000 ] - [ 0.0011408500000000, 0.0009251600000000, 0.0011177600000000 ] - [ 0.0001154400000000, -0.0017150400000000, -0.0029548000000000 ] - [ -0.0008569900000000, 0.0001628500000000, -0.0042220400000000 ] - [ 0.0009287000000000, 0.0029917000000000, -0.0020549900000000 ] - [ 0.0003113700000000, -0.0012830900000000, -0.0000667400000000 ] - [ 0.0000340100000000, 0.0012075600000000, 0.0032633000000000 ] - [ 0.0006200600000000, 0.0022256000000000, 0.0033453000000000 ] - [ 0.0028250900000000, -0.0091776300000000, 0.0139183400000000 ] - [ 0.0004738900000000, 0.0016973900000000, -0.0001436600000000 ] - [ -0.0002279200000000, 0.0003197700000000, 0.0023635300000000 ] - [ -0.0009213500000000, -0.0011330200000000, 0.0022534700000000 ] - [ 0.0139852800000000, 0.0034688200000000, -0.0010671100000000 ] - [ 0.0002812300000000, -0.0009132200000000, -0.0009370100000000 ] - [ 0.0002499900000000, -0.0004661900000000, -0.0020077900000000 ] - [ -0.0133894400000000, -0.0022491500000000, 0.0002122700000000 ] - [ 0.0005109700000000, -0.0003152600000000, 0.0048182800000000 ] - [ -0.0001135100000000, -0.0021629700000000, 0.0024107200000000 ] - [ -0.0003633500000000, 0.0000402800000000, 0.0014518400000000 ] - [ -0.0017309400000000, 0.0011949000000000, 0.0035882400000000 ]- atom: 45 displacement: [ 0.0014701282124378, 0.0000000000000000, -0.0098913458659069 ] forces: - [ -0.0002223700000000, 0.0009882200000000, 0.0022906400000000 ] - [ 0.0000113700000000, -0.0031738600000000, 0.0084754800000000 ] - [ -0.0034007500000000, -0.0004417900000000, 0.0069324400000000 ] - [ -0.0002942100000000, 0.0006184600000000, 0.0015452400000000 ] - [ -0.0012877300000000, -0.0044222500000000, -0.0035321100000000 ] - [ 0.0004629400000000, 0.0045271500000000, -0.0193637500000000 ] - [ 0.0125648000000000, 0.0115691400000000, 0.0070044200000000 ] - [ 0.0021160900000000, -0.0039474500000000, -0.0006423600000000 ] - [ 0.0004735800000000, 0.0001238200000000, 0.0023742700000000 ] - [ 0.0002774800000000, -0.0009126800000000, 0.0035713200000000 ] - [ 0.0022610900000000, 0.0007986500000000, 0.0047945400000000 ] - [ 0.0002796000000000, -0.0000203100000000, 0.0016650600000000 ] - [ 0.0024414300000000, -0.0032842600000000, -0.0009696600000000 ] - [ 0.0020663700000000, 0.0059382700000000, -0.0030285800000000 ] - [ -0.0062277300000000, 0.0051525300000000, 0.0041585800000000 ] - [ -0.0024474700000000, -0.0038211200000000, 0.0003431100000000 ] - [ -0.0008154100000000, 0.0010991400000000, -0.0096952100000000 ] - [ 0.0060216600000000, -0.0063473800000000, -0.0129387000000000 ] - [ -0.0211036800000000, 0.0404404600000000, -0.0757360500000000 ] - [ 0.0006074500000000, -0.0015881500000000, -0.0037977200000000 ] - [ 0.0006524300000000, 0.0007580800000000, 0.0060643200000000 ] - [ 0.0010495200000000, -0.0008168500000000, 0.0040553400000000 ] - [ -0.0003724500000000, -0.0014060800000000, 0.0026500000000000 ] - [ -0.0006946900000000, 0.0016757400000000, 0.0030358000000000 ] - [ 0.0000313000000000, 0.0009836800000000, -0.0058794400000000 ] - [ -0.0004559400000000, -0.0001253700000000, -0.0027775600000000 ] - [ 0.0003067700000000, 0.0013678100000000, -0.0046912400000000 ] - [ -0.0025591500000000, -0.0009007100000000, -0.0049038600000000 ] - [ -0.0004273400000000, -0.0053973200000000, 0.0048523000000000 ] - [ 0.0023221100000000, 0.0056610400000000, 0.0077115700000000 ] - [ -0.0008567900000000, 0.0012817200000000, 0.0067969500000000 ] - [ -0.0012206400000000, -0.0003932600000000, 0.0052261500000000 ] - [ 0.0009601900000000, -0.0058820600000000, -0.0006922000000000 ] - [ -0.0000757400000000, 0.0136917200000000, -0.0124119300000000 ] - [ -0.0012567500000000, 0.0118658800000000, 0.0097189900000000 ] - [ -0.0006292300000000, -0.0003367900000000, 0.0093167200000000 ] - [ 0.0005530900000000, 0.0000289100000000, -0.0017439300000000 ] - [ 0.0001460100000000, 0.0017462700000000, -0.0024511400000000 ] - [ 0.0006876100000000, 0.0016291100000000, -0.0012627500000000 ] - [ 0.0007500100000000, -0.0010761600000000, -0.0011227100000000 ] - [ 0.0001484600000000, 0.0022816000000000, 0.0016347700000000 ] - [ 0.0037096300000000, 0.0051217100000000, -0.0238102400000000 ] - [ -0.0001187400000000, 0.0014003200000000, 0.0002776900000000 ] - [ 0.0017398600000000, -0.0091377200000000, -0.0198652800000000 ] - [ 0.0043393700000000, -0.0788564700000000, 0.1445643700000000 ] - [ 0.0000118400000000, 0.0005302500000000, 0.0031364300000000 ] - [ -0.0004691900000000, -0.0006881500000000, -0.0008503800000000 ] - [ -0.0017605500000000, -0.0015960500000000, -0.0026561700000000 ] - [ 0.0007710000000000, -0.0001340100000000, -0.0029506000000000 ] - [ 0.0000510700000000, 0.0011013100000000, -0.0018155800000000 ] - [ 0.0110610600000000, 0.0077390800000000, -0.0046459000000000 ] - [ -0.0006776300000000, -0.0035619500000000, 0.0005658500000000 ] - [ -0.0002307700000000, -0.0028183800000000, 0.0032324300000000 ] - [ -0.0071643700000000, 0.0062982200000000, 0.0043289200000000 ] - [ 0.0000382800000000, -0.0012754100000000, -0.0050705800000000 ] - [ -0.0008962700000000, 0.0011576300000000, -0.0023245400000000 ] - [ -0.0002090400000000, 0.0011771200000000, -0.0013502500000000 ] - [ -0.0001287200000000, -0.0006678600000000, -0.0000565100000000 ] - [ -0.0001125300000000, -0.0007100300000000, -0.0029477900000000 ] - [ 0.0001687900000000, -0.0008647200000000, -0.0028082300000000 ] - [ -0.0002711600000000, -0.0026452300000000, 0.0095221400000000 ] - [ -0.0000295700000000, -0.0000383500000000, 0.0030136300000000 ] - [ 0.0003163400000000, 0.0006409600000000, 0.0000941600000000 ] - [ 0.0016691200000000, -0.0007737700000000, -0.0009373300000000 ] - [ -0.0001991000000000, 0.0011487800000000, 0.0002379100000000 ] - [ -0.0006675900000000, 0.0008326900000000, -0.0009318700000000 ] - [ -0.0001210100000000, -0.0008480200000000, -0.0023829100000000 ] - [ 0.0000542400000000, -0.0003073400000000, -0.0014767300000000 ] - [ -0.0006868400000000, 0.0014835800000000, -0.0010631700000000 ] - [ -0.0010870100000000, -0.0009380400000000, -0.0012334300000000 ] - [ -0.0001520500000000, 0.0020047300000000, 0.0029774900000000 ] - [ 0.0008244100000000, 0.0001456600000000, 0.0042519500000000 ] - [ -0.0007605500000000, -0.0031942300000000, 0.0019726500000000 ] - [ -0.0001538100000000, 0.0010805700000000, -0.0000073700000000 ] - [ -0.0001258200000000, -0.0009184700000000, -0.0037541900000000 ] - [ -0.0007170000000000, -0.0019520400000000, -0.0038472500000000 ] - [ -0.0026560700000000, 0.0093416900000000, -0.0136899700000000 ] - [ -0.0003201700000000, -0.0015481200000000, 0.0004304300000000 ] - [ 0.0003695200000000, -0.0002934500000000, -0.0027383500000000 ] - [ 0.0010597200000000, 0.0011496500000000, -0.0026264900000000 ] - [ -0.0135006200000000, -0.0034797100000000, 0.0007634200000000 ] - [ 0.0002279300000000, 0.0009600700000000, 0.0005693800000000 ] - [ -0.0002975400000000, 0.0004905100000000, 0.0019013300000000 ] - [ 0.0132654100000000, 0.0022736900000000, -0.0003618800000000 ] - [ -0.0005985100000000, 0.0005900700000000, -0.0047184400000000 ] - [ 0.0000265900000000, 0.0024309300000000, -0.0022905300000000 ] - [ 0.0001045600000000, -0.0003183300000000, -0.0015397300000000 ] - [ 0.0014602300000000, -0.0014669500000000, -0.0036656100000000 ]- atom: 47 displacement: [ 0.0099999999959232, 0.0000000000000000, 0.0000002855446085 ] forces: - [ 0.0265700200000000, 0.0139139200000000, 0.0071581100000000 ] - [ 0.0006922700000000, 0.0002066600000000, -0.0002306300000000 ] - [ 0.0002820400000000, -0.0000339600000000, 0.0004268000000000 ] - [ 0.0000757200000000, 0.0006194300000000, 0.0006055200000000 ] - [ 0.0006365300000000, 0.0001392900000000, -0.0004739400000000 ] - [ 0.0002413900000000, -0.0001205000000000, -0.0002987400000000 ] - [ 0.0021652000000000, -0.0009246900000000, 0.0004893900000000 ] - [ 0.0041774400000000, -0.0000382200000000, 0.0016556400000000 ] - [ 0.0160388400000000, 0.0021105600000000, 0.0045218600000000 ] - [ -0.0005293300000000, -0.0017105900000000, 0.0005681800000000 ] - [ -0.0004529800000000, 0.0006411900000000, -0.0002947500000000 ] - [ 0.0003049000000000, -0.0011924300000000, -0.0036481100000000 ] - [ -0.0005642600000000, 0.0003536500000000, -0.0008661300000000 ] - [ -0.0002349700000000, 0.0000799200000000, -0.0005789200000000 ] - [ -0.0020513700000000, -0.0013154000000000, 0.0005219700000000 ] - [ -0.0042295000000000, 0.0010173800000000, -0.0005192400000000 ] - [ -0.0002616200000000, 0.0007743300000000, -0.0066379900000000 ] - [ 0.0002090700000000, -0.0002638200000000, -0.0004539100000000 ] - [ -0.0001029600000000, -0.0006756500000000, -0.0010313400000000 ] - [ -0.0003974400000000, 0.0005124800000000, -0.0011383800000000 ] - [ 0.0038071500000000, -0.0003517000000000, 0.0000207700000000 ] - [ 0.0202228700000000, 0.0132484100000000, 0.0062200300000000 ] - [ 0.0033111500000000, -0.0008036200000000, -0.0004043100000000 ] - [ 0.0007474900000000, -0.0008544800000000, -0.0009639400000000 ] - [ 0.0000655900000000, 0.0002472000000000, -0.0000344300000000 ] - [ -0.0000676500000000, 0.0000976400000000, 0.0000469100000000 ] - [ -0.0010959900000000, 0.0027116200000000, 0.0038499300000000 ] - [ -0.0002101300000000, -0.0005052900000000, -0.0000455800000000 ] - [ -0.0017225700000000, -0.0001211900000000, -0.0004447700000000 ] - [ -0.0003759700000000, -0.0007979800000000, -0.0003805800000000 ] - [ -0.0032749600000000, -0.0001834600000000, 0.0000372100000000 ] - [ -0.0119621000000000, 0.0001204300000000, 0.0023844300000000 ] - [ -0.0002891600000000, 0.0041610500000000, 0.0087106000000000 ] - [ 0.0000868000000000, -0.0006869400000000, 0.0000395500000000 ] - [ 0.0002678200000000, 0.0005515900000000, 0.0017091300000000 ] - [ 0.0001216200000000, 0.0001125600000000, 0.0002229800000000 ] - [ 0.0002200000000000, 0.0054416600000000, -0.0023192600000000 ] - [ -0.0003460700000000, -0.0054381500000000, -0.0014597800000000 ] - [ -0.0002798000000000, 0.0001132000000000, -0.0005155400000000 ] - [ -0.0004561500000000, -0.0000787300000000, 0.0001735700000000 ] - [ 0.0014241500000000, -0.0026775500000000, 0.0106362500000000 ] - [ -0.0002265700000000, 0.0006379400000000, 0.0002096400000000 ] - [ -0.0000191800000000, 0.0001146300000000, 0.0003036000000000 ] - [ -0.0000426000000000, 0.0003834100000000, 0.0002593200000000 ] - [ -0.0000962100000000, 0.0003840100000000, 0.0006157700000000 ] - [ -0.0003135000000000, -0.0008890200000000, 0.0018895000000000 ] - [ -0.0949354800000000, -0.0317194700000000, -0.0277224300000000 ] - [ -0.0005852100000000, 0.0002087200000000, 0.0001787000000000 ] - [ -0.0005251100000000, 0.0001412300000000, -0.0001680500000000 ] - [ -0.0033829500000000, -0.0009986300000000, -0.0006273700000000 ] - [ -0.0002088800000000, 0.0000934100000000, 0.0001914600000000 ] - [ -0.0002134000000000, -0.0000394300000000, 0.0002661400000000 ] - [ -0.0021252700000000, -0.0003277200000000, 0.0001319200000000 ] - [ -0.0003740600000000, -0.0000185200000000, -0.0001972100000000 ] - [ -0.0056213700000000, -0.0040617200000000, -0.0015016400000000 ] - [ -0.0016801800000000, 0.0026972700000000, -0.0022232100000000 ] - [ -0.0001457100000000, -0.0001526700000000, 0.0004399300000000 ] - [ -0.0004907300000000, 0.0001428600000000, 0.0004775200000000 ] - [ -0.0017911600000000, -0.0030220200000000, 0.0031469000000000 ] - [ 0.0009768000000000, 0.0012679400000000, 0.0004940200000000 ] - [ -0.0001989200000000, 0.0000538300000000, 0.0003359500000000 ] - [ -0.0002783900000000, 0.0001241100000000, -0.0002284700000000 ] - [ -0.0000666800000000, -0.0000161000000000, 0.0001919000000000 ] - [ -0.0000147600000000, 0.0000919300000000, 0.0001209300000000 ] - [ 0.0039308900000000, 0.0004832300000000, -0.0106188100000000 ] - [ 0.0000514800000000, 0.0004160700000000, -0.0001545400000000 ] - [ 0.0004872300000000, 0.0000597000000000, -0.0002423000000000 ] - [ 0.0173172800000000, 0.0124980200000000, 0.0104086900000000 ] - [ 0.0001234800000000, -0.0003743000000000, 0.0006623400000000 ] - [ 0.0001276700000000, 0.0000392600000000, 0.0001054500000000 ] - [ 0.0000269600000000, -0.0000515100000000, -0.0004633000000000 ] - [ -0.0000421000000000, 0.0002475000000000, 0.0001331000000000 ] - [ 0.0004182600000000, -0.0012183700000000, 0.0000968400000000 ] - [ 0.0004152700000000, 0.0002039800000000, -0.0002527400000000 ] - [ 0.0014437500000000, -0.0007898700000000, 0.0008550600000000 ] - [ 0.0013097500000000, 0.0013734500000000, 0.0001960000000000 ] - [ 0.0002499200000000, -0.0000014000000000, 0.0006395400000000 ] - [ 0.0004058600000000, 0.0001161100000000, 0.0006710100000000 ] - [ 0.0142135600000000, -0.0043167500000000, -0.0036287100000000 ] - [ 0.0010569600000000, 0.0001105500000000, -0.0008564800000000 ] - [ 0.0004548900000000, 0.0001447000000000, -0.0000153700000000 ] - [ 0.0005072100000000, -0.0000014500000000, 0.0000277000000000 ] - [ 0.0029543000000000, -0.0002776700000000, -0.0000666800000000 ] - [ 0.0002357300000000, 0.0000906400000000, 0.0000185900000000 ] - [ 0.0004514400000000, 0.0003429900000000, -0.0002450900000000 ] - [ 0.0017376000000000, -0.0003021300000000, 0.0001815300000000 ] - [ 0.0116573700000000, -0.0022809900000000, -0.0011152100000000 ] - [ 0.0000616900000000, -0.0000075900000000, -0.0001800400000000 ]- atom: 47 displacement: [ -0.0099999999959232, 0.0000000000000000, -0.0000002855446085 ] forces: - [ -0.0279345900000000, -0.0152948600000000, -0.0077142400000000 ] - [ -0.0007783000000000, -0.0003198600000000, 0.0003255700000000 ] - [ -0.0001022100000000, 0.0004939900000000, -0.0001638200000000 ] - [ 0.0000736200000000, -0.0001665100000000, -0.0003047200000000 ] - [ -0.0005255200000000, -0.0001711700000000, 0.0003699600000000 ] - [ -0.0001293200000000, 0.0000995000000000, 0.0001889200000000 ] - [ -0.0022626800000000, 0.0005129200000000, -0.0007781300000000 ] - [ -0.0042458200000000, -0.0004100300000000, -0.0020490500000000 ] - [ -0.0141965300000000, -0.0032820200000000, -0.0043836400000000 ] - [ 0.0006640500000000, 0.0013239400000000, -0.0002952000000000 ] - [ 0.0003562300000000, -0.0006582900000000, 0.0004016500000000 ] - [ -0.0003620700000000, 0.0011411100000000, 0.0037650200000000 ] - [ 0.0003775600000000, 0.0000955800000000, 0.0006089900000000 ] - [ 0.0000480900000000, 0.0003777100000000, 0.0003213900000000 ] - [ 0.0021051200000000, 0.0012181000000000, -0.0006038200000000 ] - [ 0.0042628300000000, -0.0012216300000000, 0.0004352300000000 ] - [ 0.0005623700000000, -0.0008671000000000, 0.0066671100000000 ] - [ 0.0000977100000000, 0.0002355700000000, 0.0004391200000000 ] - [ -0.0000637800000000, 0.0005439100000000, 0.0009511900000000 ] - [ 0.0002307400000000, -0.0006640400000000, 0.0010582500000000 ] - [ -0.0036724800000000, 0.0000046100000000, 0.0001335000000000 ] - [ -0.0201703300000000, -0.0137936200000000, -0.0061020500000000 ] - [ -0.0031878700000000, 0.0008998800000000, 0.0000623900000000 ] - [ -0.0006629000000000, 0.0010983200000000, 0.0006172900000000 ] - [ -0.0001789300000000, -0.0000623500000000, 0.0004628200000000 ] - [ -0.0000456400000000, 0.0000692500000000, 0.0003863400000000 ] - [ 0.0009330900000000, -0.0030727000000000, -0.0039721400000000 ] - [ 0.0000513500000000, 0.0001530600000000, -0.0001145400000000 ] - [ 0.0018823700000000, -0.0000418300000000, 0.0004982200000000 ] - [ 0.0005398000000000, 0.0006731400000000, 0.0004656900000000 ] - [ 0.0029729800000000, 0.0002277100000000, -0.0000993300000000 ] - [ 0.0115849200000000, -0.0002720900000000, -0.0024087400000000 ] - [ 0.0005683500000000, -0.0044822800000000, -0.0087738300000000 ] - [ 0.0001869600000000, 0.0004142700000000, 0.0000559000000000 ] - [ -0.0001806500000000, -0.0002843500000000, -0.0018392900000000 ] - [ -0.0000350700000000, 0.0001567100000000, -0.0003430000000000 ] - [ -0.0001367300000000, -0.0054668500000000, 0.0024673800000000 ] - [ 0.0005086600000000, 0.0054831400000000, 0.0015751900000000 ] - [ -0.0002023400000000, -0.0000656600000000, 0.0008900500000000 ] - [ -0.0000206900000000, 0.0001152000000000, 0.0001930900000000 ] - [ -0.0015010700000000, 0.0027646000000000, -0.0103014700000000 ] - [ 0.0000904700000000, -0.0006364200000000, 0.0001636000000000 ] - [ -0.0001355700000000, 0.0000528500000000, -0.0005761900000000 ] - [ -0.0001145400000000, -0.0002289700000000, -0.0005342400000000 ] - [ 0.0001894600000000, -0.0001067700000000, -0.0001258800000000 ] - [ 0.0004093700000000, 0.0011883400000000, -0.0014085600000000 ] - [ 0.0943096300000000, 0.0336896700000000, 0.0288412500000000 ] - [ 0.0004284500000000, -0.0004518800000000, -0.0001157400000000 ] - [ 0.0005673800000000, 0.0001329800000000, 0.0001551300000000 ] - [ 0.0034241800000000, 0.0012986700000000, 0.0004454300000000 ] - [ 0.0001468700000000, -0.0001069700000000, -0.0000710700000000 ] - [ 0.0001514900000000, 0.0000290900000000, -0.0001516300000000 ] - [ 0.0017810000000000, 0.0000435500000000, -0.0005004600000000 ] - [ 0.0000253200000000, -0.0002757100000000, -0.0001582800000000 ] - [ 0.0057385000000000, 0.0042093300000000, 0.0014196900000000 ] - [ 0.0017910800000000, -0.0027415300000000, 0.0022514300000000 ] - [ -0.0000257500000000, 0.0001401900000000, -0.0003789500000000 ] - [ 0.0003142000000000, -0.0001603300000000, -0.0004268000000000 ] - [ 0.0019205600000000, 0.0032186800000000, -0.0036410400000000 ] - [ -0.0008742300000000, -0.0012940200000000, -0.0011878200000000 ] - [ 0.0000222700000000, 0.0001095400000000, 0.0001566600000000 ] - [ 0.0001001200000000, 0.0000563300000000, 0.0007143700000000 ] - [ 0.0002358200000000, -0.0000002900000000, -0.0002854600000000 ] - [ 0.0001848300000000, -0.0001261300000000, -0.0002118600000000 ] - [ -0.0041024500000000, -0.0003582700000000, 0.0106307700000000 ] - [ -0.0002097000000000, -0.0003468500000000, 0.0002800700000000 ] - [ -0.0001581900000000, -0.0003684200000000, 0.0006093200000000 ] - [ -0.0168227900000000, -0.0125380800000000, -0.0098514100000000 ] - [ -0.0000761500000000, 0.0003730300000000, -0.0007908300000000 ] - [ -0.0000811900000000, -0.0000632500000000, -0.0002383500000000 ] - [ -0.0000623200000000, 0.0003459400000000, 0.0004719500000000 ] - [ 0.0000062800000000, 0.0000494600000000, -0.0001158000000000 ] - [ -0.0002649800000000, 0.0010015300000000, -0.0001731600000000 ] - [ -0.0002680100000000, -0.0004065900000000, 0.0001891000000000 ] - [ -0.0015301800000000, 0.0010674900000000, -0.0012948000000000 ] - [ -0.0014071300000000, -0.0010714500000000, -0.0006780800000000 ] - [ -0.0000946400000000, 0.0001600800000000, -0.0003649500000000 ] - [ -0.0002486800000000, 0.0000437700000000, -0.0004041100000000 ] - [ -0.0140080200000000, 0.0041836700000000, 0.0032556700000000 ] - [ -0.0009145600000000, -0.0000692600000000, 0.0004871800000000 ] - [ 0.0000449800000000, -0.0001097500000000, -0.0003609400000000 ] - [ -0.0000078500000000, 0.0000440700000000, -0.0004034100000000 ] - [ -0.0029976300000000, 0.0003091700000000, -0.0000450800000000 ] - [ -0.0002822300000000, -0.0000796200000000, -0.0001305200000000 ] - [ -0.0005385500000000, -0.0000948100000000, 0.0003883600000000 ] - [ -0.0018155900000000, 0.0005852800000000, -0.0000498800000000 ] - [ -0.0119327800000000, 0.0021067100000000, 0.0010276100000000 ] - [ -0.0003198600000000, -0.0003090300000000, 0.0000944800000000 ]- atom: 47 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0085228600000000, 0.0148939500000000, 0.0031943900000000 ] - [ 0.0035769100000000, -0.0094139100000000, 0.0041387200000000 ] - [ 0.0002951400000000, -0.0013723900000000, 0.0016373700000000 ] - [ 0.0019596800000000, 0.0014804000000000, -0.0038368400000000 ] - [ 0.0003246700000000, 0.0009603800000000, -0.0011723400000000 ] - [ 0.0002980800000000, -0.0008232700000000, -0.0009846500000000 ] - [ 0.0007254500000000, -0.0046552100000000, -0.0050999700000000 ] - [ 0.0003342400000000, 0.0048710800000000, 0.0090205400000000 ] - [ 0.0033384500000000, 0.0149042200000000, 0.0024024500000000 ] - [ -0.0039193700000000, -0.0090304900000000, 0.0012738700000000 ] - [ 0.0004958600000000, -0.0028243900000000, 0.0022384600000000 ] - [ -0.0030298600000000, 0.0021337100000000, -0.0049624200000000 ] - [ -0.0002447700000000, 0.0011114500000000, -0.0010103800000000 ] - [ -0.0004837300000000, -0.0006107100000000, -0.0016821900000000 ] - [ -0.0008401400000000, -0.0050897700000000, -0.0020794300000000 ] - [ -0.0003150700000000, 0.0044710800000000, 0.0009772300000000 ] - [ 0.0001029300000000, 0.0033050600000000, -0.0054003100000000 ] - [ 0.0006584100000000, -0.0023650500000000, 0.0001225900000000 ] - [ -0.0001242800000000, -0.0013694800000000, -0.0011751200000000 ] - [ -0.0002095100000000, 0.0012412700000000, -0.0016484000000000 ] - [ 0.0015946300000000, -0.0151078800000000, 0.0071881900000000 ] - [ 0.0129409700000000, 0.1226192200000000, 0.0398659000000000 ] - [ -0.0008598000000000, 0.0104282500000000, 0.0063433700000000 ] - [ 0.0028040000000000, -0.0095518200000000, -0.0075326100000000 ] - [ -0.0000523100000000, -0.0013645900000000, -0.0008793000000000 ] - [ 0.0000748600000000, 0.0014004800000000, -0.0015444200000000 ] - [ 0.0001171600000000, 0.0013956300000000, -0.0030769200000000 ] - [ -0.0007930400000000, -0.0023307400000000, 0.0000644300000000 ] - [ -0.0002662500000000, 0.0045564500000000, 0.0013583400000000 ] - [ 0.0000929500000000, -0.0043778200000000, -0.0012747300000000 ] - [ -0.0027788200000000, -0.0069413000000000, 0.0053941300000000 ] - [ 0.0038804400000000, 0.0071155500000000, 0.0037983100000000 ] - [ 0.0001806900000000, 0.0025539600000000, 0.0083151100000000 ] - [ -0.0011836800000000, -0.0002662400000000, -0.0020921200000000 ] - [ 0.0001626300000000, 0.0004501000000000, 0.0013112600000000 ] - [ 0.0001390500000000, 0.0002475900000000, 0.0004612500000000 ] - [ 0.0018087400000000, 0.0063350300000000, -0.0032619300000000 ] - [ -0.0200958900000000, 0.0073426200000000, 0.0006368700000000 ] - [ 0.0001969800000000, -0.0007317200000000, -0.0008713300000000 ] - [ -0.0023786000000000, 0.0007240900000000, 0.0013713700000000 ] - [ -0.0007847200000000, -0.0064866400000000, 0.0032680100000000 ] - [ 0.0002379800000000, 0.0030860700000000, -0.0003338800000000 ] - [ -0.0002458500000000, -0.0009022300000000, 0.0002859100000000 ] - [ -0.0000605500000000, 0.0012944600000000, 0.0006648700000000 ] - [ 0.0002006300000000, 0.0011304500000000, 0.0008575300000000 ] - [ -0.0003356700000000, -0.0016664900000000, 0.0017080800000000 ] - [ -0.0331136600000000, -0.1980765300000000, -0.0720425100000000 ] - [ 0.0002464600000000, 0.0082985100000000, 0.0012056300000000 ] - [ -0.0001064200000000, 0.0049791000000000, -0.0030344000000000 ] - [ -0.0008461400000000, -0.0082357400000000, 0.0109347900000000 ] - [ -0.0001144500000000, 0.0004136700000000, 0.0002352000000000 ] - [ -0.0002043600000000, -0.0001701100000000, 0.0011168900000000 ] - [ -0.0007251300000000, -0.0009997900000000, 0.0014848500000000 ] - [ -0.0002079500000000, 0.0006796200000000, -0.0006295700000000 ] - [ -0.0033224100000000, 0.0202895300000000, 0.0044738800000000 ] - [ 0.0034256600000000, 0.0151985200000000, -0.0176859100000000 ] - [ 0.0000589000000000, -0.0003451900000000, -0.0003685700000000 ] - [ 0.0000792400000000, -0.0002212800000000, 0.0024816200000000 ] - [ -0.0027123400000000, 0.0050196300000000, -0.0116724100000000 ] - [ 0.0074386600000000, 0.0212512100000000, 0.0199972900000000 ] - [ -0.0003009700000000, 0.0008795800000000, 0.0010083600000000 ] - [ 0.0000322000000000, -0.0014389500000000, 0.0011769000000000 ] - [ 0.0001362200000000, -0.0012600000000000, 0.0008087400000000 ] - [ -0.0001331300000000, 0.0017636300000000, 0.0015744000000000 ] - [ -0.0002036100000000, -0.0042686800000000, 0.0030480200000000 ] - [ -0.0001156200000000, 0.0029565800000000, -0.0005091100000000 ] - [ 0.0000721000000000, 0.0035588000000000, -0.0008063800000000 ] - [ 0.0161560300000000, -0.0073770300000000, 0.0036019600000000 ] - [ 0.0000372400000000, -0.0025064200000000, 0.0004425400000000 ] - [ 0.0015188700000000, 0.0026074700000000, 0.0008590300000000 ] - [ -0.0000929300000000, 0.0003706100000000, 0.0009365100000000 ] - [ -0.0001095600000000, 0.0004017100000000, 0.0006200400000000 ] - [ -0.0002228000000000, -0.0003069900000000, 0.0013842300000000 ] - [ 0.0011965400000000, -0.0003301700000000, -0.0010467500000000 ] - [ -0.0005620100000000, -0.0009163600000000, -0.0034549600000000 ] - [ 0.0010555300000000, 0.0017929400000000, 0.0011120000000000 ] - [ 0.0000002500000000, -0.0002586500000000, -0.0000134900000000 ] - [ 0.0004361800000000, 0.0002802600000000, 0.0013613300000000 ] - [ 0.0032766400000000, 0.0082235900000000, -0.0019479300000000 ] - [ -0.0004646900000000, 0.0003502100000000, -0.0024692400000000 ] - [ 0.0003673800000000, 0.0007439200000000, 0.0001906400000000 ] - [ 0.0004338400000000, -0.0005146000000000, 0.0002257600000000 ] - [ 0.0004413600000000, -0.0010244300000000, 0.0004938500000000 ] - [ 0.0000036200000000, 0.0013104600000000, 0.0005493800000000 ] - [ 0.0000699600000000, 0.0030152100000000, -0.0024544500000000 ] - [ 0.0000542400000000, -0.0028723900000000, 0.0019133100000000 ] - [ 0.0014464500000000, -0.0104316800000000, -0.0034786500000000 ] - [ -0.0004878500000000, 0.0043998100000000, 0.0003979700000000 ]- atom: 47 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0094437300000000, -0.0155141500000000, -0.0035258900000000 ] - [ -0.0035719200000000, 0.0092202400000000, -0.0039864100000000 ] - [ -0.0000971000000000, 0.0018076700000000, -0.0013725500000000 ] - [ -0.0017722000000000, -0.0009978600000000, 0.0041011200000000 ] - [ -0.0002071600000000, -0.0009851000000000, 0.0010457300000000 ] - [ -0.0001794400000000, 0.0007996500000000, 0.0008593600000000 ] - [ -0.0007993400000000, 0.0042004100000000, 0.0048414300000000 ] - [ -0.0004037700000000, -0.0051883700000000, -0.0093121500000000 ] - [ -0.0027901800000000, -0.0155446700000000, -0.0021805300000000 ] - [ 0.0039512400000000, 0.0085582700000000, -0.0009775100000000 ] - [ -0.0006110700000000, 0.0027727000000000, -0.0021159500000000 ] - [ 0.0028944800000000, -0.0021047100000000, 0.0050663500000000 ] - [ 0.0000506800000000, -0.0006569300000000, 0.0007306100000000 ] - [ 0.0002880700000000, 0.0010654900000000, 0.0013966000000000 ] - [ 0.0008741000000000, 0.0049081100000000, 0.0019691900000000 ] - [ 0.0003465000000000, -0.0045708900000000, -0.0010863200000000 ] - [ 0.0002101000000000, -0.0033866300000000, 0.0053258600000000 ] - [ -0.0003399000000000, 0.0023241600000000, -0.0001334100000000 ] - [ -0.0000395300000000, 0.0012084200000000, 0.0010746500000000 ] - [ 0.0000406300000000, -0.0013666800000000, 0.0015428100000000 ] - [ -0.0014355400000000, 0.0147168900000000, -0.0070668700000000 ] - [ -0.0117236900000000, -0.1161080200000000, -0.0365803600000000 ] - [ 0.0009878300000000, -0.0102819200000000, -0.0066542800000000 ] - [ -0.0026630900000000, 0.0096712000000000, 0.0070350500000000 ] - [ -0.0000632400000000, 0.0015191800000000, 0.0012812900000000 ] - [ -0.0001856100000000, -0.0012069800000000, 0.0019426400000000 ] - [ -0.0002853200000000, -0.0017996000000000, 0.0028616500000000 ] - [ 0.0006173600000000, 0.0019780600000000, -0.0002152200000000 ] - [ 0.0004248100000000, -0.0046951300000000, -0.0012584000000000 ] - [ 0.0000740900000000, 0.0042285200000000, 0.0013561400000000 ] - [ 0.0024683900000000, 0.0068650300000000, -0.0053563300000000 ] - [ -0.0041254800000000, -0.0070612700000000, -0.0037614000000000 ] - [ 0.0000814800000000, -0.0028167100000000, -0.0082245300000000 ] - [ 0.0014308400000000, -0.0000304200000000, 0.0021630400000000 ] - [ -0.0000740600000000, -0.0001681500000000, -0.0014048000000000 ] - [ -0.0000504300000000, 0.0000172100000000, -0.0005756400000000 ] - [ -0.0017863800000000, -0.0063158700000000, 0.0033655600000000 ] - [ 0.0198806100000000, -0.0072995900000000, -0.0005351800000000 ] - [ -0.0006956900000000, 0.0007793900000000, 0.0012340600000000 ] - [ 0.0018476900000000, -0.0006925100000000, -0.0009867900000000 ] - [ 0.0007170100000000, 0.0065246700000000, -0.0027667900000000 ] - [ -0.0003840800000000, -0.0030561400000000, 0.0006939800000000 ] - [ 0.0000879800000000, 0.0010602700000000, -0.0005550900000000 ] - [ -0.0000978200000000, -0.0011261900000000, -0.0009278300000000 ] - [ -0.0001116300000000, -0.0008432800000000, -0.0003652400000000 ] - [ 0.0004229800000000, 0.0019371300000000, -0.0011961000000000 ] - [ 0.0323177700000000, 0.1915698700000000, 0.0693643000000000 ] - [ -0.0004141700000000, -0.0084874400000000, -0.0011352400000000 ] - [ 0.0001419600000000, -0.0046488800000000, 0.0030062100000000 ] - [ 0.0008622800000000, 0.0083857900000000, -0.0109953100000000 ] - [ 0.0000489800000000, -0.0004164200000000, -0.0001065900000000 ] - [ 0.0001385800000000, 0.0001540800000000, -0.0009898600000000 ] - [ 0.0003734800000000, 0.0007268400000000, -0.0018345100000000 ] - [ -0.0001417500000000, -0.0009710200000000, 0.0002696900000000 ] - [ 0.0035452100000000, -0.0204157100000000, -0.0047072000000000 ] - [ -0.0032355500000000, -0.0149825000000000, 0.0173327700000000 ] - [ -0.0002279000000000, 0.0003292100000000, 0.0004465900000000 ] - [ -0.0002431600000000, 0.0001766500000000, -0.0023884400000000 ] - [ 0.0029101300000000, -0.0048142000000000, 0.0112075600000000 ] - [ -0.0071370600000000, -0.0207951000000000, -0.0202293800000000 ] - [ 0.0001266900000000, -0.0007100900000000, -0.0005093000000000 ] - [ -0.0002070000000000, 0.0015934800000000, -0.0006645700000000 ] - [ 0.0000322200000000, 0.0012345400000000, -0.0008830000000000 ] - [ 0.0002990200000000, -0.0017704000000000, -0.0016281400000000 ] - [ -0.0000176600000000, 0.0043658700000000, -0.0028204100000000 ] - [ -0.0000274500000000, -0.0028651900000000, 0.0006088500000000 ] - [ 0.0002843100000000, -0.0038285600000000, 0.0011699800000000 ] - [ -0.0157960900000000, 0.0068984200000000, -0.0032801700000000 ] - [ 0.0000233100000000, 0.0024899800000000, -0.0005681300000000 ] - [ -0.0014359300000000, -0.0026033600000000, -0.0009676700000000 ] - [ 0.0000563300000000, -0.0000590100000000, -0.0008957000000000 ] - [ 0.0000721900000000, -0.0001067900000000, -0.0005941800000000 ] - [ 0.0003879100000000, 0.0001199700000000, -0.0014585700000000 ] - [ -0.0010232600000000, 0.0000968300000000, 0.0009791500000000 ] - [ 0.0004667000000000, 0.0012111900000000, 0.0029519900000000 ] - [ -0.0011449000000000, -0.0015191900000000, -0.0016043300000000 ] - [ 0.0001589700000000, 0.0004244300000000, 0.0002870000000000 ] - [ -0.0002770900000000, -0.0001288500000000, -0.0010823600000000 ] - [ -0.0032087400000000, -0.0081580300000000, 0.0015852900000000 ] - [ 0.0006010400000000, -0.0003431400000000, 0.0020843900000000 ] - [ 0.0001366200000000, -0.0006975000000000, -0.0005587400000000 ] - [ 0.0000700600000000, 0.0005501300000000, -0.0005940600000000 ] - [ -0.0004848900000000, 0.0010508900000000, -0.0005846600000000 ] - [ -0.0000488600000000, -0.0012822300000000, -0.0006528800000000 ] - [ -0.0001579500000000, -0.0027340600000000, 0.0025653900000000 ] - [ -0.0001398200000000, 0.0031261300000000, -0.0017958200000000 ] - [ -0.0016729100000000, 0.0101455900000000, 0.0033893900000000 ] - [ 0.0002289100000000, -0.0046571400000000, -0.0004848200000000 ]- atom: 47 displacement: [ -0.0014701282124378, 0.0000000000000000, 0.0098913458659069 ] forces: - [ 0.0020692100000000, 0.0051541400000000, 0.0126293200000000 ] - [ 0.0002383700000000, -0.0022882900000000, 0.0027663500000000 ] - [ 0.0005643300000000, 0.0008985300000000, -0.0002385000000000 ] - [ 0.0030748700000000, -0.0010439300000000, -0.0037861500000000 ] - [ 0.0004044900000000, 0.0004709400000000, -0.0024473700000000 ] - [ 0.0001846900000000, -0.0002886800000000, -0.0013417500000000 ] - [ -0.0001416200000000, -0.0025537700000000, -0.0017940600000000 ] - [ 0.0008675400000000, 0.0069621800000000, -0.0048198300000000 ] - [ -0.0001421600000000, 0.0011528600000000, 0.0101488600000000 ] - [ -0.0003661800000000, -0.0021071600000000, 0.0018745900000000 ] - [ -0.0011050500000000, 0.0008574600000000, 0.0001536100000000 ] - [ -0.0029805200000000, -0.0011954800000000, -0.0021054500000000 ] - [ -0.0004442000000000, 0.0005746300000000, -0.0026285700000000 ] - [ -0.0003292500000000, -0.0001368200000000, -0.0016075800000000 ] - [ 0.0001249900000000, -0.0023298000000000, -0.0004577300000000 ] - [ -0.0003078900000000, 0.0038608000000000, 0.0013224400000000 ] - [ -0.0002290000000000, -0.0025470100000000, -0.0067140700000000 ] - [ 0.0002214800000000, 0.0000438200000000, -0.0010760700000000 ] - [ -0.0002054500000000, -0.0007860000000000, -0.0019007100000000 ] - [ -0.0002211200000000, 0.0006697800000000, -0.0026473600000000 ] - [ 0.0003972400000000, -0.0005756100000000, 0.0066008400000000 ] - [ 0.0019176400000000, 0.0387158300000000, 0.0309606600000000 ] - [ -0.0016457700000000, 0.0067163200000000, -0.0095519300000000 ] - [ 0.0006419500000000, -0.0029132600000000, -0.0020699900000000 ] - [ 0.0001896900000000, -0.0003671100000000, -0.0019652100000000 ] - [ 0.0000221500000000, 0.0004946000000000, -0.0026902400000000 ] - [ 0.0001728300000000, -0.0024638500000000, -0.0056547900000000 ] - [ -0.0002199100000000, 0.0000808700000000, -0.0010714800000000 ] - [ 0.0010273900000000, 0.0018327400000000, -0.0003339100000000 ] - [ 0.0001226300000000, -0.0015998700000000, -0.0005065700000000 ] - [ -0.0000366100000000, -0.0020650000000000, 0.0044651600000000 ] - [ 0.0017988400000000, 0.0013532000000000, 0.0040305200000000 ] - [ 0.0007526500000000, 0.0010542500000000, 0.0005238200000000 ] - [ -0.0001061100000000, -0.0015924000000000, -0.0003951400000000 ] - [ 0.0003647700000000, 0.0009293200000000, 0.0023633800000000 ] - [ 0.0001861800000000, 0.0002866500000000, 0.0008327000000000 ] - [ -0.0005226000000000, 0.0002784100000000, -0.0024185200000000 ] - [ -0.0064804100000000, 0.0046750300000000, -0.0017116500000000 ] - [ -0.0017713800000000, -0.0012806000000000, 0.0013160000000000 ] - [ -0.0009149700000000, 0.0007018100000000, 0.0005533700000000 ] - [ 0.0070113500000000, -0.0005305100000000, 0.0109725200000000 ] - [ 0.0000699800000000, 0.0010661200000000, -0.0001739400000000 ] - [ -0.0002951000000000, -0.0000523900000000, 0.0012300300000000 ] - [ -0.0001157000000000, 0.0005494000000000, 0.0007166800000000 ] - [ 0.0001293600000000, 0.0000880000000000, 0.0010869500000000 ] - [ -0.0000942100000000, -0.0012171100000000, 0.0026684200000000 ] - [ -0.0142048800000000, -0.0654186400000000, -0.0599259900000000 ] - [ 0.0001385200000000, 0.0010011000000000, -0.0005453700000000 ] - [ -0.0002977600000000, 0.0008120200000000, -0.0011514400000000 ] - [ 0.0009733800000000, 0.0043621900000000, 0.0144994700000000 ] - [ -0.0001425300000000, 0.0002002200000000, 0.0009223800000000 ] - [ -0.0001634600000000, 0.0001842600000000, 0.0014581200000000 ] - [ -0.0003174800000000, 0.0003160000000000, 0.0015520700000000 ] - [ -0.0001300300000000, -0.0006595200000000, 0.0005138000000000 ] - [ -0.0004509800000000, 0.0097449800000000, -0.0023908800000000 ] - [ 0.0002681000000000, -0.0021056800000000, -0.0103448200000000 ] - [ 0.0002478800000000, -0.0012063000000000, 0.0019941700000000 ] - [ 0.0001963100000000, 0.0005861700000000, 0.0018923800000000 ] - [ 0.0031969600000000, -0.0067139200000000, 0.0011822400000000 ] - [ 0.0015790100000000, 0.0046618800000000, 0.0051660000000000 ] - [ -0.0002105500000000, -0.0000078100000000, 0.0013333900000000 ] - [ -0.0001878300000000, -0.0011751000000000, 0.0023784600000000 ] - [ -0.0000254200000000, -0.0001158100000000, 0.0024478600000000 ] - [ 0.0000062700000000, 0.0005313600000000, 0.0010945800000000 ] - [ -0.0069304500000000, 0.0001569000000000, 0.0078049300000000 ] - [ -0.0001452000000000, 0.0010109900000000, -0.0003364200000000 ] - [ 0.0005328300000000, 0.0001327300000000, -0.0011233600000000 ] - [ 0.0091794600000000, 0.0000546500000000, -0.0024749300000000 ] - [ 0.0012496300000000, -0.0007552100000000, 0.0012740800000000 ] - [ 0.0004168900000000, 0.0003295900000000, 0.0004041400000000 ] - [ -0.0002939500000000, 0.0007697800000000, 0.0021377700000000 ] - [ -0.0001490600000000, 0.0004394000000000, 0.0010058500000000 ] - [ -0.0001854800000000, 0.0010524400000000, 0.0002667900000000 ] - [ 0.0001665500000000, -0.0015534900000000, 0.0003150900000000 ] - [ -0.0000973800000000, -0.0005573200000000, -0.0023978300000000 ] - [ 0.0004658800000000, 0.0010252500000000, -0.0002398100000000 ] - [ 0.0001382600000000, -0.0003781700000000, 0.0010422800000000 ] - [ 0.0002306700000000, 0.0003492800000000, 0.0013011300000000 ] - [ 0.0015770000000000, 0.0046878900000000, -0.0015597000000000 ] - [ -0.0002690300000000, 0.0001898200000000, -0.0023251600000000 ] - [ 0.0003440500000000, 0.0003204400000000, 0.0003733800000000 ] - [ 0.0004302900000000, -0.0000103800000000, 0.0005460900000000 ] - [ 0.0002374600000000, -0.0000564500000000, 0.0013763800000000 ] - [ -0.0000700300000000, 0.0003404400000000, 0.0004327000000000 ] - [ -0.0000178200000000, 0.0009809800000000, -0.0011767000000000 ] - [ -0.0007208000000000, -0.0003945600000000, 0.0003884400000000 ] - [ -0.0001332700000000, -0.0036535700000000, -0.0035141500000000 ] - [ -0.0003114600000000, 0.0009881100000000, -0.0007050200000000 ]- atom: 47 displacement: [ 0.0014701282124378, 0.0000000000000000, -0.0098913458659069 ] forces: - [ -0.0020691800000000, -0.0052795900000000, -0.0124014800000000 ] - [ -0.0002724900000000, 0.0021344600000000, -0.0026652700000000 ] - [ -0.0003714800000000, -0.0004362200000000, 0.0005141800000000 ] - [ -0.0028606900000000, 0.0014803900000000, 0.0040514600000000 ] - [ -0.0002866900000000, -0.0004952700000000, 0.0023315700000000 ] - [ -0.0000685800000000, 0.0002601200000000, 0.0012275500000000 ] - [ 0.0000672300000000, 0.0021218600000000, 0.0015000700000000 ] - [ -0.0009472500000000, -0.0074449800000000, 0.0045763600000000 ] - [ 0.0002242200000000, -0.0016157800000000, -0.0098655100000000 ] - [ 0.0004444300000000, 0.0016761100000000, -0.0016032000000000 ] - [ 0.0009862700000000, -0.0008735400000000, -0.0000322100000000 ] - [ 0.0028482000000000, 0.0011517400000000, 0.0022440300000000 ] - [ 0.0002501100000000, -0.0001204700000000, 0.0023593200000000 ] - [ 0.0001361400000000, 0.0005882700000000, 0.0013406200000000 ] - [ -0.0000934300000000, 0.0021650200000000, 0.0003315800000000 ] - [ 0.0003385400000000, -0.0040327900000000, -0.0014592900000000 ] - [ 0.0005500700000000, 0.0025358600000000, 0.0067083300000000 ] - [ 0.0000957000000000, -0.0000921100000000, 0.0010532700000000 ] - [ 0.0000395400000000, 0.0006501400000000, 0.0018087600000000 ] - [ 0.0000581600000000, -0.0008194700000000, 0.0025576100000000 ] - [ -0.0002243800000000, 0.0002184400000000, -0.0064198000000000 ] - [ -0.0016144300000000, -0.0386256600000000, -0.0310401600000000 ] - [ 0.0017385300000000, -0.0065054000000000, 0.0090702800000000 ] - [ -0.0005429700000000, 0.0031065700000000, 0.0016944900000000 ] - [ -0.0003028200000000, 0.0005505600000000, 0.0023775100000000 ] - [ -0.0001393200000000, -0.0003300200000000, 0.0031026400000000 ] - [ -0.0003469900000000, 0.0021280200000000, 0.0055131100000000 ] - [ 0.0000481700000000, -0.0004485200000000, 0.0009062800000000 ] - [ -0.0008537300000000, -0.0019762900000000, 0.0004333600000000 ] - [ 0.0000447600000000, 0.0014600800000000, 0.0006115200000000 ] - [ -0.0002769900000000, 0.0020144600000000, -0.0044249700000000 ] - [ -0.0021029500000000, -0.0013902100000000, -0.0040046400000000 ] - [ -0.0005037100000000, -0.0013357400000000, -0.0004009000000000 ] - [ 0.0003636400000000, 0.0013219200000000, 0.0004832900000000 ] - [ -0.0002786500000000, -0.0006645200000000, -0.0024826700000000 ] - [ -0.0000998800000000, -0.0000143300000000, -0.0009468800000000 ] - [ 0.0005608900000000, -0.0002558500000000, 0.0025117600000000 ] - [ 0.0065518000000000, -0.0046582800000000, 0.0018026400000000 ] - [ 0.0012594400000000, 0.0013126800000000, -0.0009371700000000 ] - [ 0.0004192300000000, -0.0006560900000000, -0.0001880300000000 ] - [ -0.0072689500000000, 0.0005608600000000, -0.0107091600000000 ] - [ -0.0002125400000000, -0.0010422300000000, 0.0005497300000000 ] - [ 0.0001349900000000, 0.0002122000000000, -0.0015025200000000 ] - [ -0.0000431600000000, -0.0003923100000000, -0.0009925800000000 ] - [ -0.0000382600000000, 0.0001951300000000, -0.0005895600000000 ] - [ 0.0001845000000000, 0.0015017200000000, -0.0021782600000000 ] - [ 0.0139196900000000, 0.0647712700000000, 0.0601432700000000 ] - [ -0.0003017400000000, -0.0012176500000000, 0.0006134300000000 ] - [ 0.0003342100000000, -0.0005227500000000, 0.0011273100000000 ] - [ -0.0009159500000000, -0.0039318900000000, -0.0143365600000000 ] - [ 0.0000775400000000, -0.0002146700000000, -0.0007996500000000 ] - [ 0.0000986300000000, -0.0001918400000000, -0.0013325600000000 ] - [ -0.0000350700000000, -0.0006117100000000, -0.0019119300000000 ] - [ -0.0002204800000000, 0.0003778800000000, -0.0008734900000000 ] - [ 0.0005971900000000, -0.0096555800000000, 0.0023164600000000 ] - [ -0.0001166200000000, 0.0022056000000000, 0.0102223400000000 ] - [ -0.0004149200000000, 0.0011784100000000, -0.0019134500000000 ] - [ -0.0003606400000000, -0.0005963200000000, -0.0018216100000000 ] - [ -0.0029840500000000, 0.0068119200000000, -0.0016654200000000 ] - [ -0.0014393500000000, -0.0045962600000000, -0.0057503500000000 ] - [ 0.0000332100000000, 0.0001732800000000, -0.0008325000000000 ] - [ 0.0000118700000000, 0.0013433900000000, -0.0018830400000000 ] - [ 0.0001926800000000, 0.0000937000000000, -0.0025155700000000 ] - [ 0.0001622600000000, -0.0005588000000000, -0.0011765600000000 ] - [ 0.0068820700000000, -0.0000760900000000, -0.0077558600000000 ] - [ -0.0000043400000000, -0.0009241800000000, 0.0004605800000000 ] - [ -0.0001818800000000, -0.0004233500000000, 0.0014774800000000 ] - [ -0.0088704900000000, -0.0003607700000000, 0.0027797000000000 ] - [ -0.0011774700000000, 0.0007464800000000, -0.0013988400000000 ] - [ -0.0003577700000000, -0.0003458000000000, -0.0005353100000000 ] - [ 0.0002589400000000, -0.0004759100000000, -0.0021178400000000 ] - [ 0.0001139300000000, -0.0001367100000000, -0.0009813200000000 ] - [ 0.0003519600000000, -0.0012777700000000, -0.0003263400000000 ] - [ -0.0000001100000000, 0.0013483100000000, -0.0003827400000000 ] - [ 0.0000068700000000, 0.0008353900000000, 0.0018963100000000 ] - [ -0.0005616900000000, -0.0007488600000000, -0.0002639900000000 ] - [ 0.0000200300000000, 0.0005365900000000, -0.0007721300000000 ] - [ -0.0000743100000000, -0.0001835400000000, -0.0010340200000000 ] - [ -0.0014447800000000, -0.0046310300000000, 0.0011791300000000 ] - [ 0.0004130300000000, -0.0001709800000000, 0.0019647200000000 ] - [ 0.0001589700000000, -0.0002831600000000, -0.0007454600000000 ] - [ 0.0000731400000000, 0.0000515200000000, -0.0009185900000000 ] - [ -0.0002816000000000, 0.0000779000000000, -0.0014851500000000 ] - [ 0.0000251600000000, -0.0003128300000000, -0.0005338300000000 ] - [ -0.0000707100000000, -0.0007124500000000, 0.0012864900000000 ] - [ 0.0006250400000000, 0.0006708100000000, -0.0002848300000000 ] - [ -0.0001200200000000, 0.0033604600000000, 0.0034428500000000 ] - [ 0.0000525200000000, -0.0012629900000000, 0.0006218000000000 ]- atom: 49 displacement: [ 0.0099999999959232, 0.0000000000000000, 0.0000002855446085 ] forces: - [ 0.0005418300000000, 0.0011817400000000, -0.0008337400000000 ] - [ 0.0000551200000000, -0.0004551500000000, -0.0004232700000000 ] - [ 0.0297883800000000, -0.0093050500000000, -0.0136863900000000 ] - [ 0.0006594400000000, -0.0001829200000000, 0.0002637900000000 ] - [ 0.0000962100000000, 0.0019865700000000, 0.0003830500000000 ] - [ 0.0001942600000000, -0.0014693500000000, 0.0011718400000000 ] - [ 0.0001994800000000, -0.0001220300000000, 0.0008285700000000 ] - [ 0.0000998600000000, -0.0001137400000000, 0.0002725000000000 ] - [ -0.0005103600000000, -0.0010882900000000, 0.0013050700000000 ] - [ 0.0000172400000000, 0.0018373200000000, 0.0024339400000000 ] - [ 0.0042381300000000, -0.0059058200000000, -0.0042599700000000 ] - [ -0.0008340300000000, 0.0012443600000000, 0.0000233100000000 ] - [ -0.0001881600000000, 0.0002287200000000, -0.0008850900000000 ] - [ -0.0000099000000000, -0.0001190700000000, -0.0031205600000000 ] - [ -0.0003319700000000, -0.0002288300000000, 0.0003345400000000 ] - [ -0.0001176800000000, 0.0000564400000000, 0.0002360800000000 ] - [ -0.0000073600000000, 0.0001515500000000, 0.0003551700000000 ] - [ -0.0000686700000000, -0.0004352600000000, 0.0005246600000000 ] - [ -0.0038917900000000, 0.0007783700000000, 0.0009540200000000 ] - [ -0.0005404000000000, 0.0001858300000000, -0.0003876400000000 ] - [ 0.0134361400000000, -0.0006616100000000, -0.0010925100000000 ] - [ 0.0007666200000000, 0.0005494800000000, 0.0006310900000000 ] - [ 0.0046833000000000, -0.0010721900000000, -0.0027029900000000 ] - [ 0.0147875600000000, -0.0089890900000000, 0.0005513800000000 ] - [ 0.0036640400000000, 0.0005884400000000, 0.0006391000000000 ] - [ 0.0005137300000000, 0.0006249400000000, -0.0004570500000000 ] - [ 0.0000289500000000, 0.0000215900000000, 0.0006046300000000 ] - [ 0.0000754700000000, -0.0004795200000000, 0.0004970100000000 ] - [ -0.0034198700000000, -0.0002140600000000, -0.0008564800000000 ] - [ -0.0102042000000000, -0.0020567000000000, 0.0004740100000000 ] - [ -0.0110205500000000, -0.0012551000000000, -0.0020304000000000 ] - [ -0.0006127300000000, 0.0000739900000000, -0.0001265500000000 ] - [ 0.0001504100000000, -0.0000162700000000, 0.0000146200000000 ] - [ 0.0001417600000000, -0.0000596700000000, -0.0002046300000000 ] - [ 0.0005157200000000, -0.0004928700000000, 0.0000268000000000 ] - [ 0.0004959800000000, 0.0002873700000000, -0.0000391700000000 ] - [ 0.0041350000000000, -0.0036692500000000, 0.0077681900000000 ] - [ -0.0001833100000000, 0.0002565300000000, 0.0001976700000000 ] - [ -0.0006260300000000, -0.0061241600000000, 0.0014013700000000 ] - [ 0.0002652000000000, 0.0059409900000000, -0.0013715500000000 ] - [ -0.0001665500000000, -0.0003127300000000, 0.0003052600000000 ] - [ -0.0000527700000000, 0.0000722600000000, -0.0001242000000000 ] - [ 0.0004524400000000, 0.0000860900000000, -0.0000074600000000 ] - [ 0.0033105100000000, 0.0028621200000000, -0.0019602600000000 ] - [ 0.0002630800000000, 0.0005949900000000, -0.0004688400000000 ] - [ 0.0002045200000000, -0.0001135600000000, 0.0002411400000000 ] - [ -0.0006260200000000, -0.0002280900000000, -0.0003674000000000 ] - [ -0.0034875400000000, -0.0009406800000000, 0.0005231100000000 ] - [ -0.0870708500000000, 0.0209868500000000, 0.0227254000000000 ] - [ -0.0006780900000000, 0.0001066900000000, 0.0002252100000000 ] - [ -0.0013386300000000, -0.0022218000000000, -0.0085283800000000 ] - [ -0.0001111800000000, 0.0002520900000000, 0.0000239000000000 ] - [ -0.0002408900000000, -0.0003198300000000, -0.0006962200000000 ] - [ -0.0002241100000000, 0.0000369900000000, -0.0004484200000000 ] - [ 0.0009587600000000, 0.0011853100000000, -0.0016293900000000 ] - [ -0.0001727700000000, -0.0001126800000000, -0.0004907100000000 ] - [ -0.0032109500000000, 0.0017075400000000, 0.0028469000000000 ] - [ 0.0014932500000000, -0.0016912200000000, 0.0023340000000000 ] - [ -0.0019535900000000, 0.0089268900000000, -0.0011652200000000 ] - [ 0.0000859800000000, -0.0020178500000000, -0.0014029000000000 ] - [ -0.0002639200000000, 0.0004946700000000, -0.0004674700000000 ] - [ -0.0002880700000000, -0.0002507900000000, 0.0001998600000000 ] - [ -0.0005325700000000, -0.0000309300000000, 0.0002623200000000 ] - [ -0.0049159800000000, 0.0022022800000000, -0.0026194500000000 ] - [ -0.0000631400000000, 0.0000788700000000, -0.0004453200000000 ] - [ -0.0001814500000000, 0.0000530800000000, -0.0006651700000000 ] - [ 0.0127640600000000, 0.0022006800000000, -0.0114277300000000 ] - [ 0.0004060600000000, -0.0000865600000000, 0.0000605800000000 ] - [ 0.0003945400000000, -0.0001655800000000, 0.0003116500000000 ] - [ 0.0129750300000000, -0.0092737700000000, 0.0081820500000000 ] - [ -0.0006322000000000, -0.0004911800000000, 0.0000006400000000 ] - [ -0.0006361400000000, 0.0003504700000000, 0.0001171700000000 ] - [ 0.0001230200000000, -0.0000324300000000, -0.0003037800000000 ] - [ 0.0000571300000000, -0.0000161000000000, -0.0001692900000000 ] - [ 0.0024242000000000, 0.0020241800000000, -0.0007475900000000 ] - [ 0.0010024700000000, 0.0001898900000000, 0.0000351100000000 ] - [ 0.0065271800000000, 0.0016387100000000, 0.0042059900000000 ] - [ 0.0016091200000000, -0.0003085300000000, 0.0004849000000000 ] - [ 0.0015163200000000, -0.0001461000000000, -0.0001905800000000 ] - [ 0.0003324400000000, -0.0002206700000000, -0.0002825900000000 ] - [ 0.0002225700000000, 0.0005200700000000, 0.0004629800000000 ] - [ 0.0004029900000000, -0.0001655000000000, 0.0000017400000000 ] - [ 0.0000612100000000, -0.0001227100000000, -0.0001956100000000 ] - [ 0.0000491400000000, 0.0000475900000000, -0.0001663300000000 ] - [ 0.0103591700000000, 0.0016223700000000, 0.0021813200000000 ] - [ 0.0004428300000000, 0.0000111200000000, 0.0003138500000000 ] - [ 0.0001652000000000, -0.0002353800000000, -0.0002565900000000 ] - [ 0.0012613600000000, -0.0002253700000000, -0.0002326000000000 ]- atom: 49 displacement: [ -0.0099999999959232, 0.0000000000000000, -0.0000002855446085 ] forces: - [ -0.0006044700000000, -0.0013363100000000, 0.0009506300000000 ] - [ -0.0001273000000000, 0.0002829300000000, 0.0005235900000000 ] - [ -0.0307964400000000, 0.0104668000000000, 0.0150327300000000 ] - [ -0.0004929700000000, 0.0006164500000000, 0.0000068400000000 ] - [ 0.0000097100000000, -0.0020476400000000, -0.0005182600000000 ] - [ -0.0001064100000000, 0.0014569700000000, -0.0012912700000000 ] - [ -0.0002791200000000, -0.0003205500000000, -0.0011500300000000 ] - [ -0.0001802400000000, -0.0003236000000000, -0.0005633600000000 ] - [ 0.0006174300000000, 0.0006573600000000, -0.0010150500000000 ] - [ 0.0001082600000000, -0.0022609300000000, -0.0021541300000000 ] - [ -0.0033800600000000, 0.0062593500000000, 0.0046020500000000 ] - [ 0.0007540900000000, -0.0012919000000000, 0.0000940700000000 ] - [ 0.0000141800000000, 0.0002047800000000, 0.0006020500000000 ] - [ -0.0001435100000000, 0.0006050500000000, 0.0028387300000000 ] - [ 0.0003670700000000, 0.0000729800000000, -0.0004435400000000 ] - [ 0.0001535400000000, -0.0002170100000000, -0.0003524300000000 ] - [ 0.0003219200000000, -0.0001988100000000, -0.0003947000000000 ] - [ 0.0003841300000000, 0.0003986700000000, -0.0005640400000000 ] - [ 0.0037603600000000, -0.0009011800000000, -0.0011124400000000 ] - [ 0.0003768100000000, -0.0003335800000000, 0.0002840900000000 ] - [ -0.0132910900000000, 0.0003758600000000, 0.0012962500000000 ] - [ -0.0006090700000000, -0.0009456600000000, -0.0004814600000000 ] - [ -0.0046076000000000, 0.0012501600000000, 0.0023244800000000 ] - [ -0.0148007500000000, 0.0093969700000000, -0.0009545800000000 ] - [ -0.0038052700000000, -0.0003691100000000, -0.0002246200000000 ] - [ -0.0006439400000000, -0.0004814400000000, 0.0009006600000000 ] - [ -0.0001965800000000, -0.0003866000000000, -0.0007799900000000 ] - [ -0.0002441200000000, 0.0001219800000000, -0.0006658900000000 ] - [ 0.0035965500000000, 0.0000017300000000, 0.0009676700000000 ] - [ 0.0103482700000000, 0.0020061700000000, -0.0003745000000000 ] - [ 0.0106782700000000, 0.0011920000000000, 0.0021277700000000 ] - [ 0.0002968200000000, -0.0001185800000000, 0.0001611100000000 ] - [ 0.0001135100000000, -0.0002630300000000, 0.0000761700000000 ] - [ 0.0001169600000000, -0.0002173800000000, 0.0002965200000000 ] - [ -0.0004333800000000, 0.0007763400000000, -0.0001219900000000 ] - [ -0.0004067400000000, -0.0000186200000000, -0.0000687700000000 ] - [ -0.0040501500000000, 0.0037280400000000, -0.0077322200000000 ] - [ 0.0002394700000000, -0.0002286600000000, -0.0000961100000000 ] - [ 0.0001494200000000, 0.0062274000000000, -0.0010517800000000 ] - [ -0.0007138800000000, -0.0059453300000000, 0.0017460300000000 ] - [ 0.0000264500000000, 0.0003372000000000, 0.0000710000000000 ] - [ -0.0000815400000000, -0.0000496700000000, 0.0005091200000000 ] - [ -0.0006102100000000, 0.0000904800000000, -0.0002567800000000 ] - [ -0.0034844900000000, -0.0027374700000000, 0.0017155600000000 ] - [ -0.0001681400000000, -0.0003298100000000, 0.0009875000000000 ] - [ -0.0001140700000000, 0.0003988700000000, 0.0002601400000000 ] - [ 0.0004661600000000, 0.0000204700000000, 0.0004338000000000 ] - [ 0.0033194500000000, 0.0007669600000000, -0.0003761800000000 ] - [ 0.0873805500000000, -0.0220891300000000, -0.0240961500000000 ] - [ 0.0007209200000000, 0.0002105500000000, -0.0002574900000000 ] - [ 0.0013119300000000, 0.0022362400000000, 0.0087972000000000 ] - [ 0.0000571000000000, -0.0002601900000000, 0.0000989300000000 ] - [ -0.0001064400000000, 0.0000332200000000, 0.0003520200000000 ] - [ -0.0001245000000000, -0.0003272500000000, 0.0000942800000000 ] - [ -0.0008191800000000, -0.0011887300000000, 0.0016163800000000 ] - [ 0.0003212300000000, 0.0002062000000000, 0.0003846500000000 ] - [ 0.0030125800000000, -0.0017384700000000, -0.0027883500000000 ] - [ -0.0016958700000000, 0.0017836400000000, -0.0024049600000000 ] - [ 0.0020587700000000, -0.0088016300000000, 0.0006426500000000 ] - [ 0.0000485900000000, 0.0022444100000000, 0.0009667600000000 ] - [ 0.0000890900000000, -0.0003389200000000, 0.0009720100000000 ] - [ 0.0001183400000000, 0.0004292600000000, 0.0002946400000000 ] - [ 0.0007077700000000, 0.0000232300000000, -0.0003377900000000 ] - [ 0.0051326300000000, -0.0022518400000000, 0.0024380700000000 ] - [ -0.0000900200000000, 0.0000053700000000, 0.0005689500000000 ] - [ 0.0000231500000000, 0.0000328700000000, 0.0007907600000000 ] - [ -0.0123063900000000, -0.0024767800000000, 0.0115819000000000 ] - [ -0.0000657000000000, -0.0001958100000000, 0.0002963600000000 ] - [ -0.0003437600000000, 0.0001733700000000, -0.0004399200000000 ] - [ -0.0128040800000000, 0.0090878900000000, -0.0081732300000000 ] - [ 0.0005992800000000, 0.0007904300000000, 0.0000297300000000 ] - [ 0.0005953500000000, -0.0000571100000000, -0.0000999900000000 ] - [ 0.0000336300000000, -0.0001815500000000, 0.0002418700000000 ] - [ 0.0001053300000000, -0.0001977200000000, 0.0001036700000000 ] - [ -0.0025070700000000, -0.0017122800000000, 0.0002197100000000 ] - [ -0.0011058700000000, 0.0000727000000000, -0.0005484700000000 ] - [ -0.0063439100000000, -0.0014078300000000, -0.0038579000000000 ] - [ -0.0014551600000000, 0.0004456400000000, -0.0002035200000000 ] - [ -0.0013755700000000, 0.0001815600000000, -0.0001998100000000 ] - [ -0.0001896300000000, 0.0002458200000000, -0.0000905900000000 ] - [ 0.0002650200000000, -0.0004906000000000, -0.0008300100000000 ] - [ 0.0000885700000000, 0.0002166300000000, -0.0003762500000000 ] - [ -0.0001093700000000, 0.0001493300000000, 0.0000957400000000 ] - [ -0.0000968300000000, -0.0000254500000000, 0.0000663100000000 ] - [ -0.0105081300000000, -0.0013908600000000, -0.0021060100000000 ] - [ -0.0005319200000000, 0.0002825600000000, -0.0002086500000000 ] - [ -0.0004248500000000, -0.0000414200000000, 0.0001699700000000 ] - [ -0.0015128900000000, -0.0000664300000000, 0.0001321100000000 ]- atom: 49 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0006376400000000, -0.0038180900000000, 0.0022424100000000 ] - [ -0.0009379000000000, 0.0013944300000000, -0.0013552200000000 ] - [ -0.0096560700000000, 0.0158363000000000, 0.0035380400000000 ] - [ -0.0019344700000000, -0.0076177400000000, 0.0000137200000000 ] - [ -0.0000587500000000, -0.0026095400000000, -0.0010292700000000 ] - [ -0.0018709800000000, 0.0018209100000000, 0.0025283600000000 ] - [ -0.0000861400000000, 0.0016154500000000, 0.0019121600000000 ] - [ -0.0002121600000000, -0.0011096200000000, 0.0001016000000000 ] - [ -0.0015063700000000, -0.0042773700000000, 0.0022966900000000 ] - [ 0.0022320000000000, 0.0034502400000000, -0.0027859000000000 ] - [ -0.0040888400000000, 0.0120848200000000, -0.0042688200000000 ] - [ 0.0041419600000000, -0.0079096400000000, -0.0014400200000000 ] - [ -0.0006871400000000, -0.0030340600000000, -0.0023345100000000 ] - [ 0.0028773800000000, 0.0035689600000000, 0.0052471400000000 ] - [ 0.0002089400000000, 0.0012066100000000, 0.0012444600000000 ] - [ 0.0001135400000000, -0.0010649600000000, -0.0000059200000000 ] - [ 0.0001569600000000, -0.0013961300000000, 0.0008283200000000 ] - [ 0.0002098800000000, 0.0011334400000000, 0.0009678100000000 ] - [ 0.0012243600000000, 0.0027693400000000, -0.0021396600000000 ] - [ 0.0003811500000000, -0.0027295400000000, 0.0015886800000000 ] - [ -0.0011244100000000, 0.0111507700000000, 0.0069520700000000 ] - [ -0.0018009900000000, -0.0099581700000000, -0.0046223700000000 ] - [ 0.0021809300000000, -0.0147366000000000, -0.0055656500000000 ] - [ -0.0037237600000000, 0.0734355300000000, -0.0180237800000000 ] - [ -0.0003296500000000, 0.0064484200000000, -0.0012968100000000 ] - [ -0.0021135300000000, -0.0061956100000000, 0.0060347900000000 ] - [ -0.0000743800000000, -0.0017968600000000, 0.0009056500000000 ] - [ -0.0000223800000000, 0.0008929600000000, 0.0013659100000000 ] - [ 0.0009278600000000, -0.0062138600000000, -0.0003138300000000 ] - [ -0.0019911300000000, 0.0065349000000000, -0.0011715200000000 ] - [ 0.0032688200000000, 0.0035625500000000, 0.0008159100000000 ] - [ -0.0001164700000000, -0.0030421900000000, -0.0020860000000000 ] - [ -0.0001489100000000, -0.0000150000000000, -0.0010154100000000 ] - [ 0.0002612300000000, -0.0000638700000000, 0.0000517700000000 ] - [ 0.0001635500000000, 0.0001696400000000, 0.0005420600000000 ] - [ -0.0005961900000000, 0.0001678800000000, -0.0012377100000000 ] - [ -0.0077316600000000, 0.0023497500000000, -0.0072218100000000 ] - [ 0.0009228600000000, 0.0011315700000000, 0.0013153000000000 ] - [ -0.0024211100000000, 0.0038913200000000, 0.0005758100000000 ] - [ 0.0157624300000000, 0.0071798700000000, -0.0035937700000000 ] - [ 0.0000304000000000, 0.0009319800000000, -0.0004997900000000 ] - [ -0.0000444500000000, -0.0008708700000000, -0.0000010100000000 ] - [ 0.0003067800000000, 0.0026358400000000, 0.0005647800000000 ] - [ -0.0019090900000000, -0.0050630400000000, 0.0000268000000000 ] - [ 0.0002465400000000, -0.0010558600000000, 0.0005641100000000 ] - [ -0.0000847100000000, 0.0014876300000000, -0.0007287500000000 ] - [ -0.0000811000000000, 0.0046847500000000, 0.0006987000000000 ] - [ -0.0012350000000000, -0.0083845500000000, 0.0040914800000000 ] - [ 0.0211017700000000, -0.1486846700000000, 0.0378723700000000 ] - [ -0.0000369200000000, 0.0067932600000000, -0.0004367900000000 ] - [ 0.0008697400000000, 0.0000803100000000, 0.0046829400000000 ] - [ 0.0010251000000000, 0.0010974300000000, -0.0013877800000000 ] - [ -0.0000904000000000, 0.0004849300000000, -0.0004946300000000 ] - [ -0.0000215500000000, -0.0003582900000000, -0.0007527300000000 ] - [ 0.0012489300000000, 0.0059493600000000, -0.0071087300000000 ] - [ 0.0002913500000000, 0.0002238700000000, 0.0014571100000000 ] - [ 0.0025909800000000, 0.0060232400000000, 0.0078327400000000 ] - [ -0.0068214500000000, 0.0180779500000000, -0.0195891100000000 ] - [ 0.0070841100000000, 0.0207832200000000, -0.0040427800000000 ] - [ -0.0054330700000000, 0.0133258000000000, 0.0141166900000000 ] - [ -0.0001039500000000, -0.0012068000000000, -0.0000022500000000 ] - [ 0.0006774500000000, 0.0025207700000000, -0.0017172500000000 ] - [ 0.0000101700000000, 0.0041774100000000, 0.0009697800000000 ] - [ 0.0022955700000000, -0.0072864800000000, -0.0081779000000000 ] - [ -0.0001109000000000, 0.0009749500000000, -0.0008729500000000 ] - [ -0.0001108500000000, -0.0010081100000000, 0.0000647600000000 ] - [ 0.0030093600000000, -0.0052657900000000, -0.0014480100000000 ] - [ -0.0003203200000000, 0.0030315400000000, 0.0016107200000000 ] - [ 0.0010209500000000, 0.0038568600000000, 0.0004746600000000 ] - [ -0.0142755200000000, -0.0049161400000000, -0.0051743000000000 ] - [ -0.0002234800000000, -0.0001511100000000, 0.0009622800000000 ] - [ 0.0006194900000000, -0.0001334400000000, -0.0024699000000000 ] - [ 0.0002790300000000, 0.0001026100000000, -0.0006282600000000 ] - [ -0.0000168100000000, 0.0001503900000000, -0.0003385800000000 ] - [ 0.0010275200000000, 0.0013053800000000, -0.0000991800000000 ] - [ -0.0009536100000000, 0.0011201500000000, 0.0014887300000000 ] - [ 0.0002658100000000, 0.0026728700000000, 0.0031133100000000 ] - [ -0.0008027700000000, 0.0011509700000000, -0.0011220200000000 ] - [ -0.0006125800000000, 0.0003784600000000, -0.0015186100000000 ] - [ 0.0000018400000000, -0.0000537600000000, 0.0005148800000000 ] - [ -0.0001418400000000, -0.0026106600000000, -0.0004272000000000 ] - [ -0.0008826600000000, 0.0027125900000000, -0.0009602000000000 ] - [ -0.0000975100000000, 0.0005082200000000, -0.0002084000000000 ] - [ -0.0001894100000000, -0.0005869400000000, -0.0005698800000000 ] - [ -0.0016513700000000, -0.0069529000000000, 0.0004388000000000 ] - [ 0.0001725100000000, 0.0035472000000000, 0.0001435400000000 ] - [ -0.0003032600000000, 0.0018291300000000, 0.0006606600000000 ] - [ -0.0000589100000000, -0.0022364000000000, -0.0011335000000000 ]- atom: 49 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0006773400000000, 0.0037020500000000, -0.0021336000000000 ] - [ 0.0008830600000000, -0.0016081800000000, 0.0014655900000000 ] - [ 0.0095285900000000, -0.0153780800000000, -0.0029621900000000 ] - [ 0.0021689400000000, 0.0081435000000000, 0.0002526800000000 ] - [ 0.0001829600000000, 0.0026172000000000, 0.0009096600000000 ] - [ 0.0019815800000000, -0.0018875700000000, -0.0026646000000000 ] - [ 0.0000095200000000, -0.0020585100000000, -0.0022263900000000 ] - [ 0.0001373600000000, 0.0006744600000000, -0.0003845200000000 ] - [ 0.0015843500000000, 0.0038859000000000, -0.0019914500000000 ] - [ -0.0021470200000000, -0.0039763500000000, 0.0030889100000000 ] - [ 0.0042899300000000, -0.0119625700000000, 0.0045005000000000 ] - [ -0.0043291300000000, 0.0079557100000000, 0.0015747400000000 ] - [ 0.0004857900000000, 0.0035183200000000, 0.0020661600000000 ] - [ -0.0030974100000000, -0.0031785400000000, -0.0055633000000000 ] - [ -0.0001734700000000, -0.0013672300000000, -0.0013738400000000 ] - [ -0.0000802900000000, 0.0009076000000000, -0.0001063900000000 ] - [ 0.0001579100000000, 0.0013713100000000, -0.0008605400000000 ] - [ 0.0001044000000000, -0.0011943100000000, -0.0010066600000000 ] - [ -0.0014068100000000, -0.0029352400000000, 0.0020611900000000 ] - [ -0.0005562600000000, 0.0025982400000000, -0.0017026800000000 ] - [ 0.0013619700000000, -0.0113296900000000, -0.0072830500000000 ] - [ 0.0020049300000000, 0.0096899200000000, 0.0048663600000000 ] - [ -0.0020621700000000, 0.0149546600000000, 0.0051289400000000 ] - [ 0.0045816500000000, -0.0782809200000000, 0.0195816800000000 ] - [ 0.0002449200000000, -0.0062522300000000, 0.0017398800000000 ] - [ 0.0020308800000000, 0.0064246600000000, -0.0057096800000000 ] - [ -0.0000955400000000, 0.0014640600000000, -0.0010809200000000 ] - [ -0.0001444600000000, -0.0012786700000000, -0.0015472200000000 ] - [ -0.0007623600000000, 0.0061390400000000, 0.0004058800000000 ] - [ 0.0022147800000000, -0.0067861600000000, 0.0012889500000000 ] - [ -0.0035586100000000, -0.0035771800000000, -0.0008156600000000 ] - [ -0.0002056100000000, 0.0030108800000000, 0.0021383100000000 ] - [ 0.0004105500000000, -0.0002701000000000, 0.0011104000000000 ] - [ -0.0000039200000000, -0.0002072700000000, 0.0000369600000000 ] - [ -0.0000722500000000, 0.0000918500000000, -0.0006591300000000 ] - [ 0.0006913000000000, 0.0001101700000000, 0.0011392800000000 ] - [ 0.0077601900000000, -0.0023761400000000, 0.0073061600000000 ] - [ -0.0008937200000000, -0.0011070100000000, -0.0012312700000000 ] - [ 0.0018996000000000, -0.0038902700000000, -0.0001950400000000 ] - [ -0.0165201500000000, -0.0071891400000000, 0.0040018900000000 ] - [ -0.0001739200000000, -0.0009185000000000, 0.0008756200000000 ] - [ -0.0000911100000000, 0.0009010100000000, 0.0003879900000000 ] - [ -0.0004684200000000, -0.0024971300000000, -0.0008364800000000 ] - [ 0.0017527400000000, 0.0052383900000000, -0.0002860500000000 ] - [ -0.0001540800000000, 0.0013473600000000, -0.0000674600000000 ] - [ 0.0001771500000000, -0.0012182200000000, 0.0012371200000000 ] - [ -0.0000894300000000, -0.0049431600000000, -0.0006521200000000 ] - [ 0.0010623700000000, 0.0082365900000000, -0.0039498600000000 ] - [ -0.0219837300000000, 0.1538647600000000, -0.0399805100000000 ] - [ 0.0000666900000000, -0.0065368700000000, 0.0004112100000000 ] - [ -0.0009418800000000, -0.0000963300000000, -0.0046160000000000 ] - [ -0.0011065700000000, -0.0011096200000000, 0.0015335200000000 ] - [ -0.0002600400000000, -0.0007846200000000, 0.0001443200000000 ] - [ -0.0003299600000000, 0.0000766900000000, 0.0003995600000000 ] - [ -0.0011174000000000, -0.0059221200000000, 0.0071093200000000 ] - [ -0.0001447400000000, -0.0001213700000000, -0.0016016500000000 ] - [ -0.0027234700000000, -0.0060545400000000, -0.0076957000000000 ] - [ 0.0067645800000000, -0.0184203600000000, 0.0200060300000000 ] - [ -0.0067713800000000, -0.0203961100000000, 0.0034248000000000 ] - [ 0.0057061400000000, -0.0133528500000000, -0.0148650400000000 ] - [ -0.0000729100000000, 0.0013810400000000, 0.0004949300000000 ] - [ -0.0008649200000000, -0.0023876700000000, 0.0022473100000000 ] - [ 0.0001517800000000, -0.0042329600000000, -0.0010366500000000 ] - [ -0.0021258100000000, 0.0073792700000000, 0.0080115400000000 ] - [ -0.0000394400000000, -0.0008960200000000, 0.0009901000000000 ] - [ -0.0000460100000000, 0.0011071000000000, 0.0000659900000000 ] - [ -0.0027927800000000, 0.0049523800000000, 0.0018962100000000 ] - [ 0.0006843600000000, -0.0033441500000000, -0.0012753100000000 ] - [ -0.0009476000000000, -0.0038998300000000, -0.0005935300000000 ] - [ 0.0144135700000000, 0.0050600800000000, 0.0050519900000000 ] - [ 0.0001841100000000, 0.0004379400000000, -0.0009362500000000 ] - [ -0.0006623600000000, 0.0004558500000000, 0.0025239700000000 ] - [ -0.0001184500000000, -0.0003270200000000, 0.0005719000000000 ] - [ 0.0001812300000000, -0.0003580800000000, 0.0002733200000000 ] - [ -0.0011251800000000, -0.0010602800000000, -0.0004018600000000 ] - [ 0.0008753300000000, -0.0008303300000000, -0.0020001300000000 ] - [ -0.0001064500000000, -0.0025478000000000, -0.0028706500000000 ] - [ 0.0009668000000000, -0.0009843700000000, 0.0014019500000000 ] - [ 0.0007546400000000, -0.0003739200000000, 0.0011631200000000 ] - [ 0.0001407500000000, 0.0000902700000000, -0.0008976000000000 ] - [ 0.0006410400000000, 0.0026674200000000, 0.0000571500000000 ] - [ 0.0014033700000000, -0.0026957100000000, 0.0006037600000000 ] - [ 0.0000537300000000, -0.0004895600000000, 0.0001087500000000 ] - [ 0.0001459400000000, 0.0006182400000000, 0.0004741200000000 ] - [ 0.0016180300000000, 0.0072715900000000, -0.0003436800000000 ] - [ -0.0002612000000000, -0.0033064800000000, -0.0000348100000000 ] - [ 0.0000501100000000, -0.0021233200000000, -0.0007553400000000 ] - [ -0.0002038400000000, 0.0019751700000000, 0.0010651000000000 ]- atom: 49 displacement: [ -0.0014701282124378, 0.0000000000000000, 0.0098913458659069 ] forces: - [ -0.0022136100000000, 0.0046829700000000, -0.0019308500000000 ] - [ -0.0043706400000000, -0.0053107000000000, -0.0025839400000000 ] - [ -0.0224925100000000, 0.0091794200000000, 0.0270253200000000 ] - [ 0.0003814500000000, 0.0020587400000000, 0.0012697300000000 ] - [ 0.0004159800000000, -0.0018535500000000, -0.0018634000000000 ] - [ 0.0029341900000000, 0.0030378300000000, -0.0042147200000000 ] - [ 0.0001589900000000, -0.0021665000000000, -0.0078828900000000 ] - [ 0.0002429800000000, -0.0000283400000000, -0.0022556700000000 ] - [ 0.0024877800000000, 0.0041118400000000, 0.0010280200000000 ] - [ 0.0042828100000000, -0.0067557600000000, -0.0007104700000000 ] - [ 0.0012833700000000, -0.0005441500000000, 0.0156197500000000 ] - [ -0.0006891600000000, 0.0017322000000000, 0.0020421500000000 ] - [ -0.0008899800000000, -0.0012919000000000, -0.0009922600000000 ] - [ -0.0023211300000000, 0.0023493700000000, -0.0027614800000000 ] - [ -0.0001834300000000, -0.0004833500000000, -0.0031279300000000 ] - [ -0.0002264000000000, 0.0000269600000000, -0.0013941000000000 ] - [ 0.0000385300000000, 0.0007434100000000, -0.0044113600000000 ] - [ 0.0005963300000000, -0.0003009900000000, -0.0051936700000000 ] - [ 0.0014753500000000, -0.0011410100000000, -0.0039028900000000 ] - [ -0.0002615600000000, 0.0009163100000000, -0.0015733300000000 ] - [ -0.0010731500000000, 0.0079395800000000, 0.0180292600000000 ] - [ 0.0009117900000000, 0.0021240800000000, 0.0041218900000000 ] - [ -0.0030474300000000, 0.0005042500000000, 0.0085811700000000 ] - [ -0.0009500700000000, -0.0209618600000000, 0.0238368600000000 ] - [ -0.0026244700000000, -0.0058707000000000, -0.0081119400000000 ] - [ 0.0003337600000000, 0.0019589900000000, -0.0017694100000000 ] - [ 0.0001660700000000, 0.0006631400000000, -0.0045035300000000 ] - [ -0.0006778500000000, -0.0002694000000000, -0.0051959000000000 ] - [ 0.0019212400000000, -0.0008606300000000, 0.0041039000000000 ] - [ 0.0017528900000000, 0.0011397700000000, 0.0043348700000000 ] - [ -0.0004266700000000, 0.0001512500000000, 0.0053368900000000 ] - [ -0.0004922500000000, 0.0005416500000000, 0.0038068900000000 ] - [ 0.0007348900000000, -0.0009029900000000, 0.0024990900000000 ] - [ 0.0000810400000000, -0.0000234400000000, 0.0019578300000000 ] - [ 0.0000533600000000, 0.0014587400000000, 0.0019491300000000 ] - [ 0.0000267600000000, -0.0002270800000000, 0.0020000500000000 ] - [ 0.0102682300000000, -0.0062651100000000, 0.0028868300000000 ] - [ 0.0001737300000000, 0.0005781800000000, -0.0013655800000000 ] - [ 0.0003251800000000, 0.0051956800000000, -0.0024265700000000 ] - [ -0.0041332800000000, -0.0039264700000000, -0.0006556000000000 ] - [ -0.0000379500000000, -0.0004869100000000, 0.0020303800000000 ] - [ 0.0008776100000000, 0.0009179100000000, 0.0035123100000000 ] - [ -0.0003211700000000, -0.0000489000000000, -0.0003742400000000 ] - [ -0.0025467400000000, -0.0016117600000000, 0.0014795200000000 ] - [ -0.0000994300000000, -0.0007069100000000, 0.0032691300000000 ] - [ -0.0000363300000000, -0.0006006200000000, 0.0020366300000000 ] - [ -0.0001589000000000, -0.0030607900000000, -0.0010608200000000 ] - [ -0.0001207000000000, 0.0107443900000000, 0.0141878200000000 ] - [ 0.0364040000000000, 0.0348103700000000, -0.1298872700000000 ] - [ 0.0003602000000000, -0.0002547300000000, -0.0016008600000000 ] - [ -0.0004164700000000, 0.0023386400000000, 0.0052660700000000 ] - [ -0.0002928200000000, -0.0009044400000000, 0.0004122200000000 ] - [ -0.0002413300000000, -0.0008268400000000, 0.0020805400000000 ] - [ -0.0003373200000000, -0.0005804400000000, 0.0019427800000000 ] - [ -0.0028321100000000, -0.0134351300000000, 0.0176228400000000 ] - [ 0.0000296700000000, 0.0021458500000000, -0.0000120800000000 ] - [ 0.0030088700000000, 0.0072564000000000, 0.0014524000000000 ] - [ 0.0006888600000000, -0.0026672600000000, 0.0029405300000000 ] - [ -0.0025972600000000, -0.0128796000000000, -0.0073266900000000 ] - [ 0.0025237400000000, -0.0028283900000000, -0.0099624800000000 ] - [ -0.0006750700000000, -0.0010407000000000, 0.0049599000000000 ] - [ -0.0002484300000000, -0.0006133600000000, 0.0021760900000000 ] - [ 0.0001999700000000, -0.0002115400000000, -0.0005602500000000 ] - [ -0.0007206000000000, -0.0044686600000000, 0.0234584700000000 ] - [ -0.0003847700000000, -0.0004173200000000, 0.0018485900000000 ] - [ -0.0010015700000000, 0.0012074700000000, 0.0035039800000000 ] - [ -0.0165442500000000, -0.0013083800000000, 0.0040667700000000 ] - [ 0.0000692600000000, -0.0014918500000000, -0.0015142600000000 ] - [ -0.0002756300000000, 0.0003309100000000, -0.0014495900000000 ] - [ 0.0065516300000000, -0.0015206000000000, -0.0012419200000000 ] - [ 0.0001808500000000, 0.0027168500000000, 0.0025255000000000 ] - [ 0.0000635700000000, -0.0008267000000000, 0.0025001300000000 ] - [ -0.0003823500000000, -0.0010176800000000, 0.0020578000000000 ] - [ 0.0002087500000000, -0.0007215300000000, 0.0009963800000000 ] - [ -0.0003976000000000, -0.0016182900000000, -0.0043939200000000 ] - [ -0.0003157900000000, -0.0010134100000000, -0.0032570200000000 ] - [ -0.0029266200000000, 0.0019562700000000, -0.0007084700000000 ] - [ 0.0002753000000000, -0.0011123900000000, 0.0001256700000000 ] - [ 0.0003170600000000, -0.0007473200000000, 0.0008037600000000 ] - [ -0.0000649800000000, 0.0017015400000000, -0.0007263500000000 ] - [ 0.0016120000000000, 0.0004260100000000, 0.0007770600000000 ] - [ 0.0004259300000000, 0.0001169000000000, 0.0001386700000000 ] - [ 0.0000688700000000, 0.0000547400000000, 0.0010783400000000 ] - [ 0.0001657300000000, 0.0004661500000000, 0.0015625100000000 ] - [ -0.0034427000000000, 0.0004082400000000, -0.0071857200000000 ] - [ -0.0003363100000000, 0.0005536900000000, -0.0017206300000000 ] - [ 0.0001902100000000, -0.0017073500000000, -0.0005264300000000 ] - [ -0.0004399800000000, 0.0006670200000000, 0.0010940800000000 ]- atom: 49 displacement: [ 0.0014701282124378, 0.0000000000000000, -0.0098913458659069 ] forces: - [ 0.0022020100000000, -0.0048856200000000, 0.0020463500000000 ] - [ 0.0043923700000000, 0.0052112800000000, 0.0027050400000000 ] - [ 0.0214385000000000, -0.0080759900000000, -0.0260334900000000 ] - [ -0.0002038600000000, -0.0016504200000000, -0.0010027200000000 ] - [ -0.0003018900000000, 0.0018166800000000, 0.0017616800000000 ] - [ -0.0028064100000000, -0.0030430800000000, 0.0041255200000000 ] - [ -0.0002360100000000, 0.0017473200000000, 0.0076674900000000 ] - [ -0.0003231100000000, -0.0004042500000000, 0.0019875500000000 ] - [ -0.0024297400000000, -0.0045869100000000, -0.0007856000000000 ] - [ -0.0042540900000000, 0.0063780800000000, 0.0009688400000000 ] - [ -0.0012761900000000, 0.0006345100000000, -0.0155277400000000 ] - [ 0.0005977500000000, -0.0017988500000000, -0.0019503200000000 ] - [ 0.0006989900000000, 0.0017400200000000, 0.0007358700000000 ] - [ 0.0021323200000000, -0.0018724600000000, 0.0025534500000000 ] - [ 0.0002186000000000, 0.0003259500000000, 0.0030295000000000 ] - [ 0.0002624200000000, -0.0001847600000000, 0.0012850700000000 ] - [ 0.0002800100000000, -0.0008022600000000, 0.0044257800000000 ] - [ -0.0002786400000000, 0.0002704600000000, 0.0052155000000000 ] - [ -0.0016251900000000, 0.0009993000000000, 0.0038265700000000 ] - [ 0.0001031900000000, -0.0010688600000000, 0.0015123100000000 ] - [ 0.0014390300000000, -0.0074502000000000, -0.0200775700000000 ] - [ -0.0007549100000000, -0.0025123100000000, -0.0040195600000000 ] - [ 0.0031524300000000, -0.0003127400000000, -0.0089953200000000 ] - [ 0.0011642800000000, 0.0206269900000000, -0.0242240500000000 ] - [ 0.0024928900000000, 0.0060138700000000, 0.0085373200000000 ] - [ -0.0004684600000000, -0.0018191900000000, 0.0022467100000000 ] - [ -0.0003387200000000, -0.0010483200000000, 0.0043737700000000 ] - [ 0.0005038000000000, -0.0000704200000000, 0.0050660300000000 ] - [ -0.0017453900000000, 0.0007050900000000, -0.0040248000000000 ] - [ -0.0015837700000000, -0.0012753000000000, -0.0042589600000000 ] - [ 0.0001188100000000, -0.0001932300000000, -0.0053753500000000 ] - [ 0.0001827000000000, -0.0005942900000000, -0.0038348300000000 ] - [ -0.0004864200000000, 0.0006358900000000, -0.0024324400000000 ] - [ 0.0001763200000000, -0.0002595100000000, -0.0018858700000000 ] - [ 0.0000314300000000, -0.0011919800000000, -0.0020795200000000 ] - [ 0.0000496500000000, 0.0004897000000000, -0.0021375300000000 ] - [ -0.0103625700000000, 0.0063597400000000, -0.0027657900000000 ] - [ -0.0001272300000000, -0.0005593800000000, 0.0014904500000000 ] - [ -0.0008185700000000, -0.0051337300000000, 0.0027957000000000 ] - [ 0.0037204200000000, 0.0040119300000000, 0.0009904600000000 ] - [ -0.0001049000000000, 0.0005137300000000, -0.0016685800000000 ] - [ -0.0010337800000000, -0.0009053900000000, -0.0031683200000000 ] - [ 0.0001639800000000, 0.0002150900000000, 0.0000978200000000 ] - [ 0.0023745900000000, 0.0017505700000000, -0.0017644500000000 ] - [ 0.0001860200000000, 0.0009947500000000, -0.0027944600000000 ] - [ 0.0001256600000000, 0.0008965000000000, -0.0015610600000000 ] - [ 0.0000001000000000, 0.0028778100000000, 0.0011474700000000 ] - [ -0.0000598800000000, -0.0112015100000000, -0.0143590900000000 ] - [ -0.0355700300000000, -0.0358385100000000, 0.1316835600000000 ] - [ -0.0003227700000000, 0.0005683100000000, 0.0015920100000000 ] - [ 0.0003456500000000, -0.0023530400000000, -0.0051564100000000 ] - [ 0.0002361500000000, 0.0008935900000000, -0.0003052700000000 ] - [ -0.0001088900000000, 0.0005518400000000, -0.0024578300000000 ] - [ -0.0000116100000000, 0.0002892800000000, -0.0023122800000000 ] - [ 0.0030415700000000, 0.0137395400000000, -0.0180440700000000 ] - [ 0.0001207200000000, -0.0020868500000000, -0.0000954900000000 ] - [ -0.0031559800000000, -0.0072582100000000, -0.0013860800000000 ] - [ -0.0009066800000000, 0.0027949600000000, -0.0030341800000000 ] - [ 0.0027730400000000, 0.0130530800000000, 0.0069464700000000 ] - [ -0.0023675500000000, 0.0030677600000000, 0.0095125500000000 ] - [ 0.0004997700000000, 0.0012066600000000, -0.0044654300000000 ] - [ 0.0000786300000000, 0.0008015500000000, -0.0017041400000000 ] - [ -0.0000289700000000, 0.0002051100000000, 0.0004794700000000 ] - [ 0.0008928800000000, 0.0043324400000000, -0.0232023500000000 ] - [ 0.0002392100000000, 0.0005087600000000, -0.0017364400000000 ] - [ 0.0008662000000000, -0.0011356700000000, -0.0034073800000000 ] - [ 0.0171347900000000, 0.0010144600000000, -0.0037107700000000 ] - [ 0.0002773200000000, 0.0012195300000000, 0.0018957300000000 ] - [ 0.0003388500000000, -0.0003318000000000, 0.0013253600000000 ] - [ -0.0065833300000000, 0.0015296300000000, 0.0010400900000000 ] - [ -0.0002149600000000, -0.0024112900000000, -0.0025135600000000 ] - [ -0.0000886200000000, 0.0011110400000000, -0.0025026700000000 ] - [ 0.0005557500000000, 0.0008168500000000, -0.0021409300000000 ] - [ -0.0000446400000000, 0.0005063100000000, -0.0010678100000000 ] - [ 0.0002917200000000, 0.0019064200000000, 0.0039324900000000 ] - [ 0.0002223700000000, 0.0013109900000000, 0.0027948300000000 ] - [ 0.0030244600000000, -0.0018069100000000, 0.0009517000000000 ] - [ -0.0001252700000000, 0.0012881300000000, 0.0001296500000000 ] - [ -0.0001769600000000, 0.0007761200000000, -0.0011751100000000 ] - [ 0.0002068700000000, -0.0016981600000000, 0.0003689800000000 ] - [ -0.0011038100000000, -0.0003973200000000, -0.0011606100000000 ] - [ 0.0000679900000000, -0.0000660400000000, -0.0005225200000000 ] - [ -0.0001142200000000, -0.0000267100000000, -0.0011897200000000 ] - [ -0.0002115700000000, -0.0004463100000000, -0.0016777600000000 ] - [ 0.0033533600000000, -0.0001708400000000, 0.0073247100000000 ] - [ 0.0002498600000000, -0.0002771300000000, 0.0018510600000000 ] - [ -0.0004532500000000, 0.0014461800000000, 0.0004536700000000 ] - [ 0.0001833900000000, -0.0009480500000000, -0.0011783300000000 ]- atom: 51 displacement: [ 0.0099999999959232, 0.0000000000000000, 0.0000002855446085 ] forces: - [ 0.0001882100000000, -0.0001049300000000, 0.0004414400000000 ] - [ 0.0001384400000000, -0.0001570500000000, 0.0004949200000000 ] - [ 0.0154656100000000, -0.0001669600000000, 0.0001044800000000 ] - [ 0.0011473900000000, 0.0002156500000000, 0.0001880400000000 ] - [ 0.0163699200000000, -0.0004519100000000, 0.0002854000000000 ] - [ 0.0080308800000000, 0.0002314400000000, 0.0000476200000000 ] - [ 0.0030206600000000, -0.0002845100000000, -0.0003704200000000 ] - [ 0.0008564400000000, -0.0001453500000000, -0.0001837700000000 ] - [ -0.0002899700000000, -0.0001791900000000, -0.0001982900000000 ] - [ -0.0001833600000000, -0.0001166900000000, -0.0001783700000000 ] - [ -0.0047027600000000, -0.0000752700000000, -0.0000503200000000 ] - [ -0.0009021300000000, -0.0000046900000000, 0.0000802000000000 ] - [ -0.0096295300000000, 0.0000416900000000, 0.0002850200000000 ] - [ -0.0041099400000000, 0.0002380700000000, -0.0002593200000000 ] - [ -0.0015611200000000, 0.0000575100000000, -0.0001792600000000 ] - [ -0.0008360200000000, -0.0000574100000000, -0.0002459400000000 ] - [ 0.0006734400000000, 0.0037381400000000, 0.0064598200000000 ] - [ -0.0010785600000000, -0.0046644400000000, 0.0035381200000000 ] - [ 0.0203743000000000, 0.0001296400000000, -0.0124820700000000 ] - [ -0.0001986000000000, 0.0000870900000000, 0.0001763000000000 ] - [ 0.0003149600000000, 0.0001674800000000, 0.0004055000000000 ] - [ 0.0002462900000000, -0.0000857200000000, 0.0005357900000000 ] - [ 0.0012664900000000, -0.0048287200000000, 0.0035593000000000 ] - [ -0.0008321200000000, 0.0020254900000000, 0.0036379600000000 ] - [ 0.0250794600000000, -0.0011432400000000, 0.0171638300000000 ] - [ -0.0001496900000000, -0.0000533100000000, 0.0000603700000000 ] - [ 0.0005282200000000, -0.0035365100000000, -0.0059127000000000 ] - [ -0.0014953000000000, 0.0045413100000000, -0.0029194900000000 ] - [ 0.0014746800000000, 0.0053798700000000, -0.0039962100000000 ] - [ -0.0009922900000000, -0.0023919100000000, -0.0041517300000000 ] - [ -0.0000813500000000, -0.0003373000000000, -0.0004569600000000 ] - [ -0.0002220700000000, -0.0000931900000000, -0.0005012600000000 ] - [ 0.0000580300000000, -0.0000539000000000, -0.0008553200000000 ] - [ 0.0001173800000000, 0.0008430500000000, -0.0008258300000000 ] - [ 0.0121689100000000, -0.0130446800000000, -0.0089379700000000 ] - [ 0.0004334800000000, 0.0010595300000000, 0.0002633800000000 ] - [ -0.0002742700000000, 0.0000669300000000, -0.0000013000000000 ] - [ -0.0002203200000000, 0.0000917000000000, -0.0000176100000000 ] - [ -0.0031228300000000, 0.0001194900000000, 0.0002112900000000 ] - [ -0.0016755800000000, 0.0000570500000000, 0.0001782800000000 ] - [ -0.0001661900000000, -0.0008523400000000, -0.0006848000000000 ] - [ -0.0000133600000000, 0.0000553500000000, -0.0010340700000000 ] - [ -0.0006546100000000, -0.0008734300000000, -0.0002503900000000 ] - [ 0.0031900000000000, 0.0142059000000000, 0.0079761600000000 ] - [ -0.0017401300000000, 0.0121624700000000, -0.0111327200000000 ] - [ -0.0013267000000000, -0.0003201700000000, 0.0006697400000000 ] - [ -0.0002602400000000, -0.0001885700000000, -0.0001023600000000 ] - [ -0.0002641600000000, -0.0002732700000000, -0.0001203400000000 ] - [ -0.0013535100000000, 0.0010770800000000, -0.0005822300000000 ] - [ -0.0000701800000000, 0.0012130700000000, -0.0002879900000000 ] - [ -0.1724920600000000, 0.0005707500000000, -0.0031964900000000 ] - [ -0.0005884000000000, -0.0000691900000000, 0.0000327000000000 ] - [ -0.0031298600000000, -0.0001461000000000, -0.0003014600000000 ] - [ -0.0017299600000000, -0.0002196400000000, -0.0001369000000000 ] - [ -0.0000750500000000, 0.0000978400000000, -0.0001202800000000 ] - [ -0.0000930200000000, 0.0000764900000000, -0.0001383100000000 ] - [ 0.0126370400000000, 0.0054655300000000, -0.0111170900000000 ] - [ 0.0004085000000000, -0.0008864800000000, -0.0003058800000000 ] - [ 0.0004566200000000, -0.0003595400000000, -0.0013053000000000 ] - [ 0.0005446900000000, -0.0005539200000000, -0.0009472000000000 ] - [ -0.0030244800000000, -0.0116867100000000, 0.0114046600000000 ] - [ -0.0015329900000000, 0.0004652100000000, -0.0002664400000000 ] - [ -0.0005126500000000, 0.0008952500000000, -0.0000511200000000 ] - [ 0.0040724200000000, -0.0145219000000000, -0.0082629900000000 ] - [ -0.0001257200000000, 0.0007430500000000, 0.0009788700000000 ] - [ 0.0000400400000000, -0.0000075400000000, 0.0010236500000000 ] - [ 0.0001509000000000, -0.0001176600000000, 0.0002156400000000 ] - [ 0.0004190000000000, -0.0001203000000000, 0.0001971200000000 ] - [ 0.0021343100000000, 0.0000294600000000, -0.0001544700000000 ] - [ 0.0021341700000000, -0.0000392500000000, -0.0001207200000000 ] - [ 0.0129230500000000, 0.0146403100000000, 0.0086434600000000 ] - [ 0.0003493200000000, -0.0008506600000000, -0.0002499600000000 ] - [ 0.0001767700000000, -0.0001054200000000, 0.0012130800000000 ] - [ 0.0001866700000000, -0.0015983500000000, 0.0003764700000000 ] - [ 0.0003014300000000, 0.0005340800000000, 0.0009301500000000 ] - [ 0.0004827400000000, 0.0008418600000000, 0.0005593000000000 ] - [ 0.0134903700000000, -0.0059042600000000, 0.0118321300000000 ] - [ 0.0005761600000000, 0.0009581300000000, 0.0003826300000000 ] - [ 0.0002541600000000, -0.0000390700000000, 0.0001229400000000 ] - [ 0.0002315300000000, -0.0000488000000000, -0.0000295800000000 ] - [ 0.0544979900000000, 0.0004395900000000, -0.0020909600000000 ] - [ 0.0009834100000000, 0.0000671600000000, -0.0001952100000000 ] - [ 0.0023181200000000, 0.0000056500000000, -0.0000122200000000 ] - [ 0.0023562700000000, 0.0000301500000000, -0.0000798900000000 ] - [ -0.0014565300000000, -0.0007177600000000, 0.0007608500000000 ] - [ -0.0001721200000000, -0.0009815100000000, 0.0004074300000000 ] - [ 0.0000305700000000, -0.0001126400000000, 0.0000747300000000 ] - [ 0.0000402700000000, -0.0000941600000000, 0.0000827900000000 ]- atom: 51 displacement: [ -0.0099999999959232, 0.0000000000000000, -0.0000002855446085 ] forces: - [ -0.0002261400000000, -0.0000493000000000, -0.0003437800000000 ] - [ -0.0001767000000000, -0.0000013300000000, -0.0004011400000000 ] - [ -0.0152575000000000, 0.0005012400000000, 0.0001078400000000 ] - [ -0.0009569900000000, 0.0002626300000000, 0.0000747100000000 ] - [ -0.0162369000000000, 0.0004816600000000, -0.0002968600000000 ] - [ -0.0079176400000000, -0.0003047000000000, -0.0001087900000000 ] - [ -0.0030986300000000, -0.0002004900000000, 0.0000703700000000 ] - [ -0.0009349900000000, -0.0002669200000000, -0.0000914600000000 ] - [ 0.0003679200000000, -0.0002525000000000, 0.0004696300000000 ] - [ 0.0002623700000000, -0.0003200800000000, 0.0004431000000000 ] - [ 0.0045939000000000, 0.0000716600000000, 0.0002182300000000 ] - [ 0.0007856200000000, -0.0000175800000000, 0.0000367000000000 ] - [ 0.0094397800000000, 0.0003310700000000, -0.0004855600000000 ] - [ 0.0039198200000000, 0.0002893500000000, 0.0000296600000000 ] - [ 0.0015942000000000, -0.0002263200000000, 0.0000338600000000 ] - [ 0.0008689800000000, -0.0000952300000000, 0.0001244400000000 ] - [ -0.0004323700000000, -0.0038288300000000, -0.0065281100000000 ] - [ 0.0014059100000000, 0.0046872800000000, -0.0036006600000000 ] - [ -0.0239888500000000, -0.0014965900000000, 0.0133202200000000 ] - [ 0.0000034200000000, -0.0001774400000000, -0.0002597800000000 ] - [ -0.0001340400000000, -0.0005234500000000, -0.0002831200000000 ] - [ -0.0000774400000000, -0.0002704300000000, -0.0003872400000000 ] - [ -0.0010651900000000, 0.0049932000000000, -0.0039751700000000 ] - [ 0.0009524600000000, -0.0018853200000000, -0.0040207200000000 ] - [ -0.0217865600000000, 0.0000966700000000, -0.0156460200000000 ] - [ 0.0000651500000000, 0.0002836700000000, 0.0003611000000000 ] - [ -0.0006284500000000, 0.0031295800000000, 0.0057109800000000 ] - [ 0.0013125000000000, -0.0048342600000000, 0.0027211400000000 ] - [ -0.0014064700000000, -0.0055433600000000, 0.0040921600000000 ] - [ 0.0011492000000000, 0.0022241300000000, 0.0042784600000000 ] - [ -0.0002483500000000, 0.0002991600000000, 0.0004353600000000 ] - [ -0.0000949100000000, 0.0000537900000000, 0.0005043500000000 ] - [ 0.0002058100000000, -0.0002127300000000, 0.0009485200000000 ] - [ 0.0001391200000000, -0.0011382800000000, 0.0009272700000000 ] - [ -0.0121857900000000, 0.0135830000000000, 0.0089794400000000 ] - [ -0.0003446800000000, -0.0008219400000000, -0.0003917800000000 ] - [ 0.0003185200000000, -0.0000446500000000, 0.0001243400000000 ] - [ 0.0002651700000000, -0.0000710700000000, 0.0001266200000000 ] - [ 0.0026191500000000, -0.0001601900000000, 0.0002459100000000 ] - [ 0.0011733300000000, -0.0000171300000000, 0.0001845700000000 ] - [ 0.0000301300000000, 0.0008782100000000, 0.0010612300000000 ] - [ -0.0001301800000000, -0.0000328100000000, 0.0014280800000000 ] - [ 0.0005434100000000, 0.0010064000000000, -0.0000041900000000 ] - [ -0.0032364700000000, -0.0141394500000000, -0.0083599400000000 ] - [ 0.0019385000000000, -0.0120219500000000, 0.0117745200000000 ] - [ 0.0014726800000000, 0.0005862400000000, -0.0002097900000000 ] - [ 0.0000955100000000, -0.0000248100000000, 0.0001730600000000 ] - [ 0.0001007000000000, 0.0000699200000000, 0.0001988800000000 ] - [ 0.0012973100000000, -0.0007344800000000, 0.0005821800000000 ] - [ 0.0000983700000000, -0.0009180700000000, 0.0002719500000000 ] - [ 0.1726249400000000, 0.0019396300000000, 0.0012763900000000 ] - [ 0.0005238100000000, 0.0000357500000000, 0.0000862600000000 ] - [ 0.0027807700000000, -0.0001574000000000, -0.0001461800000000 ] - [ 0.0013788700000000, -0.0000970500000000, -0.0002154600000000 ] - [ 0.0002212400000000, -0.0000132200000000, 0.0000217200000000 ] - [ 0.0002414600000000, 0.0000065700000000, 0.0000294800000000 ] - [ -0.0127431800000000, -0.0054081400000000, 0.0110352600000000 ] - [ -0.0005856100000000, 0.0008560000000000, 0.0003682500000000 ] - [ -0.0002904400000000, 0.0005278600000000, 0.0008093700000000 ] - [ -0.0003707900000000, 0.0007212000000000, 0.0004510800000000 ] - [ 0.0027286200000000, 0.0117124600000000, -0.0107642300000000 ] - [ 0.0012942100000000, -0.0003216500000000, 0.0007234200000000 ] - [ 0.0006298300000000, -0.0009453900000000, -0.0000055500000000 ] - [ -0.0040199800000000, 0.0144130300000000, 0.0080715100000000 ] - [ -0.0000309600000000, -0.0006548300000000, -0.0008536900000000 ] - [ -0.0001912000000000, 0.0000940400000000, -0.0008849300000000 ] - [ 0.0001969400000000, -0.0001689400000000, 0.0001496000000000 ] - [ -0.0000708800000000, -0.0001677600000000, 0.0001639700000000 ] - [ -0.0020730000000000, -0.0000233600000000, 0.0000093000000000 ] - [ -0.0020731700000000, 0.0000248900000000, -0.0000242900000000 ] - [ -0.0128556600000000, -0.0140513100000000, -0.0084680200000000 ] - [ -0.0003890500000000, 0.0011181500000000, 0.0002617700000000 ] - [ -0.0000229800000000, -0.0000910900000000, -0.0012703200000000 ] - [ -0.0000223600000000, 0.0013567000000000, -0.0004376300000000 ] - [ -0.0003848400000000, -0.0002481100000000, -0.0014240800000000 ] - [ -0.0005743000000000, -0.0005573400000000, -0.0010521900000000 ] - [ -0.0134201700000000, 0.0061661100000000, -0.0117472700000000 ] - [ -0.0004115400000000, -0.0008066800000000, -0.0001214100000000 ] - [ -0.0001099900000000, 0.0000578900000000, -0.0004790800000000 ] - [ -0.0000903700000000, 0.0000694500000000, -0.0003319100000000 ] - [ -0.0540388200000000, -0.0005151800000000, 0.0015766900000000 ] - [ -0.0004826100000000, -0.0000187900000000, -0.0001794100000000 ] - [ -0.0023642000000000, 0.0000356700000000, -0.0000731600000000 ] - [ -0.0024041600000000, -0.0000152400000000, -0.0000066400000000 ] - [ 0.0014440100000000, 0.0010234800000000, -0.0006247800000000 ] - [ 0.0000914200000000, 0.0012490400000000, -0.0002844100000000 ] - [ -0.0002897500000000, -0.0001660900000000, -0.0001525200000000 ] - [ -0.0002998600000000, -0.0001774900000000, -0.0001516700000000 ]- atom: 51 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0000306200000000, 0.0005243800000000, -0.0008148700000000 ] - [ -0.0000398000000000, -0.0005568500000000, 0.0001142500000000 ] - [ 0.0002291500000000, 0.0140980300000000, 0.0089726900000000 ] - [ 0.0001468700000000, -0.0035413200000000, 0.0019275100000000 ] - [ -0.0005029600000000, 0.0372082500000000, 0.0045360100000000 ] - [ 0.0000426200000000, -0.0143501000000000, 0.0035276400000000 ] - [ 0.0001158900000000, 0.0036730800000000, 0.0008288600000000 ] - [ -0.0001398400000000, -0.0030679100000000, -0.0016930500000000 ] - [ -0.0000055800000000, 0.0000542100000000, -0.0002965500000000 ] - [ 0.0000634100000000, -0.0004061000000000, -0.0003180100000000 ] - [ 0.0000556000000000, 0.0038807500000000, -0.0006136300000000 ] - [ -0.0000796800000000, -0.0025115300000000, 0.0006104100000000 ] - [ -0.0004020800000000, 0.0010491200000000, 0.0012006300000000 ] - [ 0.0001235900000000, -0.0050788800000000, 0.0016064700000000 ] - [ -0.0001806600000000, 0.0016777800000000, 0.0003211800000000 ] - [ 0.0001296600000000, -0.0018517800000000, -0.0010713800000000 ] - [ 0.0024950800000000, 0.0010368100000000, -0.0044029200000000 ] - [ -0.0005154900000000, -0.0038267300000000, 0.0030295200000000 ] - [ 0.0107990800000000, 0.0225931400000000, -0.0029772600000000 ] - [ 0.0019375500000000, -0.0081431800000000, 0.0018816700000000 ] - [ 0.0004571300000000, 0.0016147800000000, -0.0011281800000000 ] - [ -0.0001305400000000, -0.0017758800000000, -0.0001184100000000 ] - [ -0.0021408700000000, 0.0004042100000000, 0.0029960500000000 ] - [ 0.0010734800000000, -0.0044344000000000, -0.0046598600000000 ] - [ -0.0114034100000000, 0.0236872100000000, -0.0035944700000000 ] - [ -0.0021494700000000, -0.0082317200000000, 0.0018195200000000 ] - [ -0.0023198100000000, 0.0013399000000000, -0.0042527900000000 ] - [ 0.0005893900000000, -0.0042048100000000, 0.0023953400000000 ] - [ 0.0023561500000000, 0.0003495900000000, 0.0034503900000000 ] - [ -0.0011296400000000, -0.0049573000000000, -0.0048189400000000 ] - [ -0.0005829800000000, 0.0018339100000000, -0.0012435400000000 ] - [ 0.0001125100000000, -0.0016804900000000, -0.0002589100000000 ] - [ -0.0002080800000000, -0.0017069500000000, 0.0012031000000000 ] - [ 0.0001831100000000, 0.0015990000000000, -0.0007004300000000 ] - [ -0.0078119900000000, -0.0049265200000000, 0.0023272900000000 ] - [ -0.0002300400000000, 0.0039140400000000, -0.0003066200000000 ] - [ 0.0000273000000000, -0.0007504800000000, 0.0005167300000000 ] - [ -0.0000182800000000, 0.0005076900000000, 0.0000995400000000 ] - [ -0.0001252000000000, -0.0008868100000000, -0.0049825900000000 ] - [ -0.0003534200000000, 0.0024525300000000, 0.0006641700000000 ] - [ -0.0002018300000000, 0.0006591400000000, 0.0017909300000000 ] - [ -0.0001331300000000, -0.0003778400000000, -0.0009129900000000 ] - [ -0.0033754900000000, 0.0035574300000000, -0.0033083000000000 ] - [ 0.0100472000000000, 0.0123999200000000, 0.0075072600000000 ] - [ 0.0038008700000000, 0.0046248200000000, -0.0069786000000000 ] - [ -0.0053348900000000, 0.0049970400000000, 0.0030838200000000 ] - [ 0.0000186800000000, 0.0003075000000000, 0.0002589900000000 ] - [ -0.0001156900000000, -0.0002658800000000, 0.0002209000000000 ] - [ -0.0022357300000000, 0.0002535200000000, 0.0020400900000000 ] - [ 0.0002767300000000, 0.0012460100000000, -0.0008871100000000 ] - [ -0.0007359200000000, -0.1121158800000000, -0.0200765000000000 ] - [ -0.0000850800000000, 0.0036357000000000, -0.0001394900000000 ] - [ -0.0001887400000000, -0.0016184000000000, 0.0061209200000000 ] - [ -0.0002362000000000, 0.0018439200000000, -0.0014942900000000 ] - [ -0.0000045400000000, -0.0006660000000000, 0.0003908300000000 ] - [ 0.0001191800000000, 0.0005706600000000, 0.0002897500000000 ] - [ 0.0031067600000000, -0.0036664200000000, -0.0019174100000000 ] - [ 0.0000138000000000, 0.0033579200000000, -0.0004783400000000 ] - [ 0.0004076300000000, -0.0013846700000000, -0.0011817300000000 ] - [ -0.0004000200000000, 0.0019382600000000, 0.0011998400000000 ] - [ -0.0029748600000000, 0.0044578100000000, -0.0066950500000000 ] - [ 0.0055885300000000, 0.0051601600000000, 0.0038287300000000 ] - [ 0.0034572000000000, 0.0036153000000000, -0.0033117900000000 ] - [ -0.0106087600000000, 0.0126524100000000, 0.0074550400000000 ] - [ 0.0000517800000000, 0.0006768000000000, 0.0014900700000000 ] - [ -0.0000348800000000, -0.0003540900000000, -0.0005896000000000 ] - [ 0.0001832500000000, -0.0006944600000000, 0.0004074600000000 ] - [ 0.0001791000000000, 0.0004444700000000, 0.0002797500000000 ] - [ 0.0000639500000000, 0.0005432200000000, -0.0011309300000000 ] - [ 0.0000051400000000, 0.0005657400000000, 0.0016878000000000 ] - [ 0.0091925300000000, -0.0048852400000000, 0.0029204600000000 ] - [ 0.0001528600000000, 0.0040453600000000, -0.0002940100000000 ] - [ 0.0004570100000000, -0.0026147500000000, 0.0007828600000000 ] - [ 0.0000313600000000, 0.0025092700000000, -0.0003809700000000 ] - [ -0.0003747700000000, -0.0013317800000000, -0.0012357000000000 ] - [ 0.0004873300000000, 0.0021369600000000, 0.0013372800000000 ] - [ -0.0032817900000000, -0.0039140600000000, -0.0014725700000000 ] - [ -0.0000671300000000, 0.0035297400000000, -0.0006120500000000 ] - [ 0.0001778600000000, -0.0006533900000000, 0.0002565300000000 ] - [ -0.0000033100000000, 0.0005321400000000, 0.0000650000000000 ] - [ 0.0003440900000000, 0.0042730400000000, 0.0022734200000000 ] - [ 0.0003439300000000, 0.0013018400000000, -0.0003878000000000 ] - [ -0.0000692800000000, 0.0005636800000000, 0.0011671000000000 ] - [ 0.0001143500000000, 0.0004591500000000, -0.0010301600000000 ] - [ 0.0018835300000000, -0.0000033100000000, 0.0022946200000000 ] - [ -0.0002628800000000, 0.0012217400000000, -0.0009205200000000 ] - [ -0.0001571000000000, 0.0001835700000000, 0.0004255600000000 ] - [ -0.0001210400000000, -0.0003267500000000, 0.0000843100000000 ]- atom: 51 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0000651000000000, -0.0006742000000000, 0.0009177400000000 ] - [ 0.0000043600000000, 0.0003923100000000, -0.0000039000000000 ] - [ -0.0000238600000000, -0.0135967800000000, -0.0089656400000000 ] - [ 0.0000457700000000, 0.0039770900000000, -0.0016167500000000 ] - [ 0.0006166300000000, -0.0346407800000000, -0.0039831300000000 ] - [ 0.0000728600000000, 0.0143635000000000, -0.0036691800000000 ] - [ -0.0001928600000000, -0.0040867600000000, -0.0010923600000000 ] - [ 0.0000616300000000, 0.0026117400000000, 0.0013813600000000 ] - [ 0.0000829700000000, -0.0004803300000000, 0.0005683100000000 ] - [ 0.0000147500000000, -0.0000368900000000, 0.0005944700000000 ] - [ -0.0001708500000000, -0.0039232300000000, 0.0007019100000000 ] - [ -0.0000369000000000, 0.0024862500000000, -0.0004808600000000 ] - [ 0.0002080200000000, -0.0005312400000000, -0.0014481300000000 ] - [ -0.0003168000000000, 0.0054732200000000, -0.0018952000000000 ] - [ 0.0002146800000000, -0.0018284400000000, -0.0004345000000000 ] - [ -0.0000947000000000, 0.0016863400000000, 0.0009445100000000 ] - [ -0.0021503100000000, -0.0010288100000000, 0.0043583000000000 ] - [ 0.0008294200000000, 0.0037474200000000, -0.0030357700000000 ] - [ -0.0112774100000000, -0.0225883100000000, 0.0029687200000000 ] - [ -0.0020584600000000, 0.0079250500000000, -0.0019467100000000 ] - [ -0.0002895900000000, -0.0019675200000000, 0.0012665600000000 ] - [ 0.0002999300000000, 0.0014150200000000, 0.0002768200000000 ] - [ 0.0022319300000000, -0.0001528400000000, -0.0034110600000000 ] - [ -0.0009593700000000, 0.0045747200000000, 0.0042714700000000 ] - [ 0.0116193200000000, -0.0233705600000000, 0.0041087200000000 ] - [ 0.0019879200000000, 0.0083263400000000, -0.0013849900000000 ] - [ 0.0021225100000000, -0.0016491800000000, 0.0040699600000000 ] - [ -0.0007566600000000, 0.0038049200000000, -0.0025461800000000 ] - [ -0.0021649000000000, -0.0004122100000000, -0.0033538300000000 ] - [ 0.0012957500000000, 0.0047843200000000, 0.0049377400000000 ] - [ 0.0002691700000000, -0.0018684900000000, 0.0012392500000000 ] - [ -0.0004279800000000, 0.0016360100000000, 0.0002755700000000 ] - [ 0.0004631800000000, 0.0014176100000000, -0.0011097100000000 ] - [ 0.0000735700000000, -0.0018618600000000, 0.0007845500000000 ] - [ 0.0078494000000000, 0.0051080500000000, -0.0024434100000000 ] - [ 0.0003140600000000, -0.0036089700000000, 0.0001991600000000 ] - [ 0.0000179600000000, 0.0007695100000000, -0.0004078900000000 ] - [ 0.0000631900000000, -0.0004821900000000, 0.0000041200000000 ] - [ -0.0003748300000000, 0.0008895400000000, 0.0053156700000000 ] - [ -0.0001480200000000, -0.0023975000000000, -0.0002967200000000 ] - [ 0.0000567800000000, -0.0006411400000000, -0.0014063800000000 ] - [ -0.0000092700000000, 0.0004006500000000, 0.0012817600000000 ] - [ 0.0031577800000000, -0.0033793500000000, 0.0029724000000000 ] - [ -0.0103642400000000, -0.0123621700000000, -0.0078926300000000 ] - [ -0.0037529600000000, -0.0042967900000000, 0.0074882700000000 ] - [ 0.0053285200000000, -0.0046480600000000, -0.0025209600000000 ] - [ -0.0001814600000000, -0.0005212600000000, -0.0001900500000000 ] - [ -0.0000469300000000, 0.0000595800000000, -0.0001489500000000 ] - [ 0.0022225900000000, 0.0000777000000000, -0.0020405700000000 ] - [ -0.0002353300000000, -0.0009601700000000, 0.0008546200000000 ] - [ 0.0006293700000000, 0.1093721600000000, 0.0195864300000000 ] - [ 0.0000198500000000, -0.0036182100000000, 0.0002534200000000 ] - [ -0.0001602700000000, 0.0012744300000000, -0.0064245600000000 ] - [ -0.0001136200000000, -0.0021134200000000, 0.0011369600000000 ] - [ 0.0001533500000000, 0.0007466900000000, -0.0005013400000000 ] - [ 0.0000305300000000, -0.0004801800000000, -0.0003999100000000 ] - [ -0.0033300600000000, 0.0035779900000000, 0.0020448600000000 ] - [ -0.0001760100000000, -0.0033633100000000, 0.0005382800000000 ] - [ -0.0002279400000000, 0.0015410100000000, 0.0006880300000000 ] - [ 0.0005777000000000, -0.0017692200000000, -0.0016996100000000 ] - [ 0.0028390400000000, -0.0042466300000000, 0.0072037600000000 ] - [ -0.0056637600000000, -0.0049245300000000, -0.0032488700000000 ] - [ -0.0032278000000000, -0.0036167600000000, 0.0031715600000000 ] - [ 0.0109429500000000, -0.0127990500000000, -0.0076481500000000 ] - [ -0.0001993100000000, -0.0005937600000000, -0.0013606900000000 ] - [ -0.0001144500000000, 0.0004403100000000, 0.0007074500000000 ] - [ 0.0001658900000000, 0.0004085800000000, -0.0000369400000000 ] - [ 0.0001705500000000, -0.0007322400000000, 0.0000783900000000 ] - [ 0.0000001900000000, -0.0005829100000000, 0.0010033400000000 ] - [ 0.0000585600000000, -0.0005606300000000, -0.0018222300000000 ] - [ -0.0091675600000000, 0.0050913900000000, -0.0028917400000000 ] - [ -0.0001860700000000, -0.0037106100000000, 0.0003257300000000 ] - [ -0.0002900800000000, 0.0023830400000000, -0.0008464000000000 ] - [ 0.0001340700000000, -0.0027003500000000, 0.0003171000000000 ] - [ 0.0002792000000000, 0.0016054300000000, 0.0007453700000000 ] - [ -0.0005809000000000, -0.0018508900000000, -0.0018339500000000 ] - [ 0.0034933500000000, 0.0040049700000000, 0.0017962500000000 ] - [ 0.0002192200000000, -0.0033521000000000, 0.0008679900000000 ] - [ -0.0000349100000000, 0.0006709000000000, -0.0006199700000000 ] - [ 0.0001457600000000, -0.0005065600000000, -0.0004336600000000 ] - [ 0.0001631500000000, -0.0042140900000000, -0.0026149100000000 ] - [ 0.0001594400000000, -0.0012704000000000, 0.0000101100000000 ] - [ 0.0000231600000000, -0.0005460800000000, -0.0012669200000000 ] - [ -0.0001587700000000, -0.0004254500000000, 0.0009196200000000 ] - [ -0.0019299100000000, 0.0003021300000000, -0.0021592300000000 ] - [ 0.0001703000000000, -0.0009650900000000, 0.0010277300000000 ] - [ -0.0001017900000000, -0.0004610000000000, -0.0005060700000000 ] - [ -0.0001382900000000, 0.0000535700000000, -0.0001636800000000 ]- atom: 51 displacement: [ -0.0014701282124378, 0.0000000000000000, 0.0098913458659069 ] forces: - [ 0.0000047000000000, 0.0007542900000000, -0.0029495600000000 ] - [ -0.0002353100000000, -0.0003927500000000, -0.0022085900000000 ] - [ -0.0010909300000000, 0.0071460100000000, 0.0357683100000000 ] - [ -0.0000439400000000, 0.0003440300000000, 0.0021545900000000 ] - [ -0.0020610500000000, 0.0043142800000000, 0.0104029000000000 ] - [ -0.0011526100000000, 0.0033446200000000, 0.0051645000000000 ] - [ -0.0004225300000000, 0.0006621200000000, -0.0055826500000000 ] - [ -0.0001653900000000, -0.0010122400000000, -0.0014818000000000 ] - [ 0.0000090200000000, 0.0005834100000000, -0.0023503700000000 ] - [ 0.0002279000000000, -0.0007417200000000, -0.0021327200000000 ] - [ 0.0009181200000000, -0.0000852600000000, 0.0004192200000000 ] - [ 0.0000845200000000, 0.0000336300000000, 0.0005014800000000 ] - [ 0.0011281300000000, 0.0002371800000000, 0.0071596400000000 ] - [ 0.0006373900000000, 0.0019504100000000, 0.0040434500000000 ] - [ 0.0000496700000000, 0.0001068400000000, -0.0028356300000000 ] - [ 0.0000987900000000, -0.0007079000000000, -0.0017752400000000 ] - [ 0.0025546300000000, -0.0033308900000000, -0.0048637600000000 ] - [ 0.0008277600000000, 0.0039494200000000, -0.0027381500000000 ] - [ -0.0100585700000000, 0.0001440700000000, 0.0215539100000000 ] - [ 0.0005959600000000, -0.0011311800000000, 0.0029619800000000 ] - [ 0.0006349300000000, 0.0007018200000000, -0.0053261300000000 ] - [ -0.0000427000000000, -0.0003478900000000, -0.0020431200000000 ] - [ 0.0036175400000000, 0.0060132300000000, -0.0015569600000000 ] - [ 0.0013929100000000, -0.0055678900000000, 0.0004690700000000 ] - [ 0.0036710200000000, 0.0011616500000000, 0.0194927500000000 ] - [ -0.0007600900000000, -0.0010854000000000, 0.0029694200000000 ] - [ -0.0025073500000000, -0.0023636900000000, -0.0030226400000000 ] - [ -0.0003192400000000, 0.0022774000000000, -0.0013957900000000 ] - [ -0.0038730800000000, 0.0043695100000000, 0.0003328600000000 ] - [ -0.0010746000000000, -0.0047349300000000, 0.0018458100000000 ] - [ -0.0007793400000000, 0.0008371000000000, -0.0054627000000000 ] - [ -0.0000216100000000, -0.0002554600000000, -0.0022875400000000 ] - [ -0.0003738100000000, -0.0004019700000000, 0.0021015700000000 ] - [ 0.0001217100000000, -0.0008325400000000, 0.0015824200000000 ] - [ -0.0088534900000000, 0.0064094300000000, 0.0013504900000000 ] - [ -0.0003681100000000, -0.0006462300000000, -0.0015178700000000 ] - [ -0.0000064100000000, -0.0005628400000000, 0.0022132900000000 ] - [ 0.0000615400000000, -0.0001417000000000, 0.0007820000000000 ] - [ 0.0001816800000000, -0.0082217500000000, 0.0056452900000000 ] - [ 0.0000137100000000, 0.0015461200000000, -0.0003661500000000 ] - [ -0.0002910600000000, 0.0007806500000000, 0.0021709000000000 ] - [ -0.0003547400000000, -0.0004173200000000, 0.0019625100000000 ] - [ -0.0007514100000000, -0.0003644500000000, -0.0035012400000000 ] - [ 0.0057560500000000, 0.0028446400000000, -0.0062782000000000 ] - [ -0.0040524400000000, -0.0089850400000000, 0.0059949400000000 ] - [ -0.0005203300000000, 0.0020893200000000, -0.0004434000000000 ] - [ 0.0000746500000000, 0.0000763500000000, 0.0009324500000000 ] - [ 0.0001513900000000, 0.0009549700000000, 0.0014764300000000 ] - [ -0.0082845700000000, 0.0045830700000000, 0.0039873700000000 ] - [ -0.0000056800000000, -0.0014476700000000, 0.0003835300000000 ] - [ 0.0233484200000000, -0.0190593700000000, -0.0976790600000000 ] - [ 0.0000233400000000, -0.0001899300000000, -0.0012316300000000 ] - [ 0.0001165700000000, 0.0037759400000000, 0.0057906500000000 ] - [ 0.0000319000000000, -0.0009567500000000, -0.0002235000000000 ] - [ -0.0000269200000000, -0.0005257700000000, 0.0029589700000000 ] - [ 0.0001439400000000, 0.0001405800000000, 0.0014520200000000 ] - [ -0.0095642800000000, -0.0032530600000000, 0.0013514200000000 ] - [ -0.0005398200000000, 0.0014726700000000, -0.0018373600000000 ] - [ -0.0002417800000000, -0.0001919600000000, 0.0012580600000000 ] - [ -0.0002237000000000, 0.0010402300000000, 0.0009269700000000 ] - [ 0.0038688500000000, -0.0052992800000000, 0.0027377100000000 ] - [ 0.0007854800000000, 0.0018794700000000, -0.0002263300000000 ] - [ 0.0009983200000000, -0.0004613900000000, -0.0034577400000000 ] - [ -0.0069902100000000, 0.0070111900000000, -0.0045435900000000 ] - [ 0.0001023200000000, 0.0005142500000000, 0.0021945500000000 ] - [ 0.0001130600000000, -0.0002970000000000, 0.0018195100000000 ] - [ 0.0001477800000000, 0.0000705200000000, 0.0020899300000000 ] - [ 0.0001228900000000, -0.0000164700000000, 0.0008778100000000 ] - [ -0.0003226600000000, -0.0017433500000000, -0.0016379500000000 ] - [ -0.0003576000000000, 0.0010522700000000, -0.0016358900000000 ] - [ 0.0061616500000000, 0.0030803600000000, -0.0012067500000000 ] - [ 0.0002983200000000, -0.0002329600000000, -0.0012818800000000 ] - [ 0.0007852200000000, -0.0006033300000000, 0.0012213500000000 ] - [ 0.0002351700000000, -0.0007894600000000, 0.0003980300000000 ] - [ 0.0001238900000000, -0.0002250700000000, 0.0007902200000000 ] - [ 0.0000873100000000, 0.0010181300000000, 0.0006697900000000 ] - [ 0.0057798700000000, -0.0010022700000000, -0.0023402400000000 ] - [ 0.0003298200000000, 0.0013951800000000, -0.0017970400000000 ] - [ 0.0002202600000000, -0.0006647800000000, 0.0020162800000000 ] - [ -0.0000434500000000, 0.0001773600000000, 0.0010972000000000 ] - [ -0.0063030100000000, -0.0056837800000000, -0.0023250900000000 ] - [ 0.0002041300000000, -0.0000258100000000, -0.0009844400000000 ] - [ -0.0003588000000000, 0.0013694900000000, 0.0009549100000000 ] - [ -0.0004032500000000, -0.0004198100000000, 0.0007178000000000 ] - [ 0.0074128500000000, 0.0040533600000000, 0.0037123000000000 ] - [ 0.0000538700000000, -0.0011967800000000, 0.0004709500000000 ] - [ -0.0002044100000000, -0.0000963000000000, 0.0012793500000000 ] - [ -0.0002586900000000, 0.0004467900000000, 0.0019198400000000 ]- atom: 51 displacement: [ 0.0014701282124378, 0.0000000000000000, -0.0098913458659069 ] forces: - [ -0.0000395300000000, -0.0009248300000000, 0.0030828600000000 ] - [ 0.0002021400000000, 0.0002419300000000, 0.0023377200000000 ] - [ 0.0012918700000000, -0.0075156800000000, -0.0379014100000000 ] - [ 0.0002365200000000, 0.0001073500000000, -0.0019067900000000 ] - [ 0.0021742400000000, -0.0042402900000000, -0.0105653200000000 ] - [ 0.0012629100000000, -0.0034448500000000, -0.0052771800000000 ] - [ 0.0003370400000000, -0.0010879400000000, 0.0053151800000000 ] - [ 0.0000840400000000, 0.0005766600000000, 0.0012176500000000 ] - [ 0.0000687800000000, -0.0010272800000000, 0.0026449300000000 ] - [ -0.0001518900000000, 0.0003155500000000, 0.0024306700000000 ] - [ -0.0010423500000000, 0.0000351100000000, -0.0003454700000000 ] - [ -0.0002015400000000, -0.0000593900000000, -0.0003945300000000 ] - [ -0.0013119200000000, 0.0002286400000000, -0.0074573800000000 ] - [ -0.0008306100000000, -0.0015259300000000, -0.0043320100000000 ] - [ -0.0000102300000000, -0.0002633700000000, 0.0027451700000000 ] - [ -0.0000610500000000, 0.0005494800000000, 0.0016766700000000 ] - [ -0.0022313200000000, 0.0032759900000000, 0.0048628700000000 ] - [ -0.0005133300000000, -0.0039944200000000, 0.0027320200000000 ] - [ 0.0095631900000000, -0.0004347200000000, -0.0218478800000000 ] - [ -0.0007674800000000, 0.0009986000000000, -0.0030720400000000 ] - [ -0.0004825700000000, -0.0010760600000000, 0.0055393000000000 ] - [ 0.0002113000000000, -0.0000148400000000, 0.0022121200000000 ] - [ -0.0035549400000000, -0.0058664400000000, 0.0011195500000000 ] - [ -0.0012978200000000, 0.0057989500000000, -0.0009336100000000 ] - [ -0.0038152100000000, -0.0010279700000000, -0.0192940500000000 ] - [ 0.0006527200000000, 0.0012722600000000, -0.0025784600000000 ] - [ 0.0023280000000000, 0.0020033900000000, 0.0029003800000000 ] - [ 0.0001550900000000, -0.0026575100000000, 0.0012580500000000 ] - [ 0.0040960200000000, -0.0045237000000000, -0.0002812800000000 ] - [ 0.0012586100000000, 0.0046424700000000, -0.0018138100000000 ] - [ 0.0004831900000000, -0.0008969600000000, 0.0055368900000000 ] - [ -0.0002936100000000, 0.0002125700000000, 0.0023139600000000 ] - [ 0.0006317600000000, 0.0001265900000000, -0.0020285000000000 ] - [ 0.0001368200000000, 0.0005541700000000, -0.0015062600000000 ] - [ 0.0088864800000000, -0.0061090100000000, -0.0014817800000000 ] - [ 0.0004557800000000, 0.0009139000000000, 0.0014021000000000 ] - [ 0.0000517400000000, 0.0005938600000000, -0.0021348800000000 ] - [ -0.0000167700000000, 0.0001649400000000, -0.0006809200000000 ] - [ -0.0006905000000000, 0.0083989100000000, -0.0053507600000000 ] - [ -0.0005179800000000, -0.0015237700000000, 0.0007505900000000 ] - [ 0.0001477200000000, -0.0007556300000000, -0.0018096800000000 ] - [ 0.0002127500000000, 0.0004387400000000, -0.0016025100000000 ] - [ 0.0005992600000000, 0.0005168300000000, 0.0032560200000000 ] - [ -0.0059160000000000, -0.0026371300000000, 0.0061156900000000 ] - [ 0.0040921100000000, 0.0091996200000000, -0.0054785900000000 ] - [ 0.0006374800000000, -0.0018219000000000, 0.0009223700000000 ] - [ -0.0002371500000000, -0.0002856400000000, -0.0008688000000000 ] - [ -0.0003152500000000, -0.0011793300000000, -0.0014228100000000 ] - [ 0.0084636000000000, -0.0043487700000000, -0.0040593600000000 ] - [ 0.0000440800000000, 0.0017553500000000, -0.0004049900000000 ] - [ -0.0229595600000000, 0.0199731500000000, 0.1005256000000000 ] - [ -0.0000872000000000, 0.0001829000000000, 0.0013659500000000 ] - [ -0.0004611900000000, -0.0040154400000000, -0.0061199500000000 ] - [ -0.0003782300000000, 0.0006759800000000, -0.0001421100000000 ] - [ 0.0001795900000000, 0.0006176700000000, -0.0030974600000000 ] - [ 0.0000055800000000, -0.0000576500000000, -0.0015795900000000 ] - [ 0.0094679800000000, 0.0032517500000000, -0.0012329700000000 ] - [ 0.0003755000000000, -0.0015028900000000, 0.0019340600000000 ] - [ 0.0004229100000000, 0.0003668200000000, -0.0017570600000000 ] - [ 0.0004011000000000, -0.0008783200000000, -0.0014271400000000 ] - [ -0.0040108700000000, 0.0054673900000000, -0.0022714300000000 ] - [ -0.0009886400000000, -0.0017374400000000, 0.0007073500000000 ] - [ -0.0008357200000000, 0.0004309700000000, 0.0034102900000000 ] - [ 0.0071844500000000, -0.0070222300000000, 0.0045942200000000 ] - [ -0.0002510200000000, -0.0004297400000000, -0.0020913100000000 ] - [ -0.0002633400000000, 0.0003807600000000, -0.0017189500000000 ] - [ 0.0002013000000000, -0.0003578400000000, -0.0017432800000000 ] - [ 0.0002270000000000, -0.0002701100000000, -0.0005207200000000 ] - [ 0.0003912000000000, 0.0017366200000000, 0.0015292500000000 ] - [ 0.0004228600000000, -0.0010679300000000, 0.0015412800000000 ] - [ -0.0062249600000000, -0.0028175200000000, 0.0011866600000000 ] - [ -0.0003364900000000, 0.0005342800000000, 0.0013073700000000 ] - [ -0.0006226300000000, 0.0003944900000000, -0.0013004500000000 ] - [ -0.0000741200000000, 0.0005830500000000, -0.0004725900000000 ] - [ -0.0002196000000000, 0.0005184100000000, -0.0012811400000000 ] - [ -0.0001790700000000, -0.0007391000000000, -0.0011638800000000 ] - [ -0.0056140100000000, 0.0011542200000000, 0.0026916400000000 ] - [ -0.0001744800000000, -0.0012421300000000, 0.0020892800000000 ] - [ -0.0000818100000000, 0.0006946800000000, -0.0024046900000000 ] - [ 0.0001862700000000, -0.0001585500000000, -0.0014751200000000 ] - [ 0.0067154200000000, 0.0057712600000000, 0.0020419900000000 ] - [ 0.0002965700000000, 0.0000653300000000, 0.0006177600000000 ] - [ 0.0003078600000000, -0.0013453900000000, -0.0010664100000000 ] - [ 0.0003525100000000, 0.0004458500000000, -0.0008298900000000 ] - [ -0.0076415700000000, -0.0038463600000000, -0.0036439900000000 ] - [ -0.0001446100000000, 0.0014731900000000, -0.0003529300000000 ] - [ -0.0000550100000000, -0.0001779500000000, -0.0013705700000000 ] - [ -0.0000001400000000, -0.0007306600000000, -0.0020208200000000 ]- atom: 53 displacement: [ 0.0099999999959232, 0.0000000000000000, 0.0000002855446085 ] forces: - [ 0.0005382800000000, 0.0000606000000000, 0.0061812800000000 ] - [ -0.0000059600000000, 0.0001786100000000, 0.0003167700000000 ] - [ 0.0006415000000000, 0.0001910500000000, 0.0002309200000000 ] - [ 0.0005283600000000, 0.0002383900000000, 0.0001917600000000 ] - [ 0.0155964100000000, -0.0000791300000000, 0.0005205100000000 ] - [ 0.0015586200000000, 0.0000247500000000, 0.0000476200000000 ] - [ 0.0204063900000000, 0.0010323500000000, -0.0016596500000000 ] - [ 0.0060605000000000, -0.0002459600000000, -0.0002784300000000 ] - [ -0.0000027000000000, 0.0006087000000000, -0.0039874000000000 ] - [ 0.0000214700000000, -0.0000624000000000, -0.0002768800000000 ] - [ -0.0006048000000000, 0.0000068000000000, 0.0000107900000000 ] - [ -0.0003716400000000, -0.0000387000000000, 0.0000061700000000 ] - [ -0.0056726300000000, 0.0002344000000000, -0.0000997900000000 ] - [ -0.0010818500000000, 0.0002179100000000, -0.0000478100000000 ] - [ -0.0085944900000000, 0.0000794500000000, -0.0019327700000000 ] - [ -0.0047666900000000, 0.0002017900000000, -0.0001199900000000 ] - [ 0.0166588300000000, 0.0035264900000000, -0.0053421200000000 ] - [ -0.0002244800000000, -0.0002473700000000, 0.0008676700000000 ] - [ 0.0004426600000000, -0.0072956600000000, -0.0049234200000000 ] - [ -0.0016471300000000, 0.0029554600000000, -0.0042569100000000 ] - [ 0.0007244300000000, -0.0001883900000000, -0.0000123000000000 ] - [ 0.0007090100000000, 0.0002631300000000, 0.0002838300000000 ] - [ 0.0002021400000000, -0.0002622900000000, 0.0002670900000000 ] - [ 0.0000406600000000, 0.0000790600000000, 0.0001777200000000 ] - [ 0.0002523500000000, 0.0069194100000000, 0.0051949900000000 ] - [ -0.0016286200000000, -0.0028284200000000, 0.0042609800000000 ] - [ 0.0158576600000000, -0.0078459300000000, 0.0101836300000000 ] - [ -0.0002261800000000, 0.0009560900000000, -0.0004477700000000 ] - [ 0.0000366100000000, 0.0001840400000000, -0.0005325500000000 ] - [ 0.0000276300000000, -0.0000614800000000, -0.0003759400000000 ] - [ -0.0007168000000000, -0.0003718600000000, -0.0002043300000000 ] - [ -0.0005945600000000, 0.0001684400000000, 0.0000854200000000 ] - [ 0.0134778800000000, 0.0104177800000000, -0.0157086400000000 ] - [ 0.0003796200000000, -0.0007963000000000, -0.0001795700000000 ] - [ 0.0128054300000000, 0.0038253600000000, 0.0159505800000000 ] - [ 0.0003247100000000, -0.0004806300000000, -0.0000459300000000 ] - [ -0.0000565700000000, 0.0008093300000000, -0.0005341700000000 ] - [ 0.0000142200000000, -0.0000195100000000, -0.0000409600000000 ] - [ -0.0005882500000000, 0.0000158600000000, 0.0001608800000000 ] - [ -0.0005130200000000, 0.0000173900000000, 0.0001769300000000 ] - [ 0.0014083800000000, -0.0089268600000000, -0.0087484000000000 ] - [ -0.0004258800000000, 0.0002679200000000, -0.0002471800000000 ] - [ -0.0010058700000000, 0.0008234300000000, 0.0006129200000000 ] - [ -0.0005460500000000, 0.0009049600000000, 0.0007679200000000 ] - [ -0.0004681800000000, 0.0024255800000000, 0.0002308200000000 ] - [ 0.0020175100000000, -0.0111272600000000, 0.0075615600000000 ] - [ -0.0020303600000000, -0.0006541700000000, -0.0003910400000000 ] - [ -0.0002793800000000, -0.0001339400000000, 0.0000492500000000 ] - [ -0.0000510200000000, 0.0002352000000000, -0.0000888700000000 ] - [ -0.0000324900000000, 0.0003021600000000, -0.0001774200000000 ] - [ -0.0029860000000000, 0.0000074900000000, -0.0000479100000000 ] - [ -0.0015843100000000, -0.0000675000000000, 0.0000372600000000 ] - [ -0.1721664400000000, 0.0052533500000000, 0.0000993200000000 ] - [ -0.0008678000000000, -0.0002535400000000, -0.0002328300000000 ] - [ -0.0019495500000000, -0.0001384600000000, 0.0005612500000000 ] - [ -0.0003421400000000, 0.0000088800000000, 0.0000151600000000 ] - [ 0.0001392000000000, 0.0000824500000000, -0.0011329000000000 ] - [ 0.0001312400000000, 0.0003943300000000, -0.0007357900000000 ] - [ -0.0000197800000000, 0.0000024000000000, -0.0002436300000000 ] - [ 0.0000803000000000, -0.0000466600000000, -0.0003923300000000 ] - [ -0.0007177600000000, -0.0020028100000000, -0.0000285200000000 ] - [ 0.0026240300000000, 0.0124371800000000, -0.0074348500000000 ] - [ -0.0008922100000000, -0.0009196800000000, -0.0007796400000000 ] - [ -0.0003227100000000, -0.0007239700000000, -0.0009439400000000 ] - [ 0.0015342400000000, 0.0078887100000000, 0.0098195900000000 ] - [ -0.0001918700000000, -0.0007260400000000, 0.0006146200000000 ] - [ 0.0002104100000000, -0.0000597600000000, 0.0002229500000000 ] - [ 0.0002143100000000, 0.0001197600000000, 0.0004142800000000 ] - [ 0.0000095200000000, -0.0000134200000000, -0.0000935700000000 ] - [ 0.0002771000000000, -0.0000102000000000, -0.0000768700000000 ] - [ 0.0125441700000000, -0.0027846100000000, -0.0152554700000000 ] - [ 0.0002162200000000, 0.0006530600000000, -0.0000594700000000 ] - [ 0.0172377000000000, -0.0162657700000000, 0.0117394700000000 ] - [ 0.0004006800000000, 0.0000177800000000, 0.0003674900000000 ] - [ 0.0001719100000000, 0.0001635100000000, 0.0000910900000000 ] - [ 0.0000785000000000, 0.0001827800000000, -0.0001020400000000 ] - [ 0.0003091700000000, -0.0000243600000000, 0.0014746400000000 ] - [ 0.0003425300000000, -0.0004111100000000, 0.0009503700000000 ] - [ 0.0022793100000000, 0.0002384400000000, 0.0000599900000000 ] - [ 0.0003203500000000, -0.0001380100000000, -0.0001642800000000 ] - [ 0.0028697200000000, 0.0001193600000000, -0.0002720900000000 ] - [ 0.0025658500000000, -0.0000107400000000, -0.0001958100000000 ] - [ 0.0563505100000000, 0.0014661000000000, -0.0024847800000000 ] - [ 0.0008389800000000, -0.0003051000000000, -0.0001519000000000 ] - [ 0.0000297000000000, 0.0000677400000000, 0.0001934200000000 ] - [ -0.0000150700000000, -0.0000039000000000, 0.0001591500000000 ] - [ 0.0017161100000000, -0.0004595900000000, -0.0002121400000000 ] - [ -0.0000318100000000, -0.0002437100000000, 0.0005429300000000 ]- atom: 53 displacement: [ -0.0099999999959232, 0.0000000000000000, -0.0000002855446085 ] forces: - [ -0.0006182100000000, -0.0002008600000000, -0.0061149600000000 ] - [ -0.0000378400000000, -0.0003549100000000, -0.0001998600000000 ] - [ -0.0004494200000000, 0.0002533200000000, 0.0000148300000000 ] - [ -0.0003369900000000, 0.0002255500000000, 0.0000622500000000 ] - [ -0.0154889300000000, 0.0001920300000000, -0.0007914600000000 ] - [ -0.0014423300000000, -0.0000692000000000, -0.0001700500000000 ] - [ -0.0204280500000000, -0.0016364000000000, 0.0015296400000000 ] - [ -0.0061478400000000, -0.0001843600000000, 0.0000447500000000 ] - [ 0.0001055400000000, -0.0010141300000000, 0.0042307200000000 ] - [ 0.0000674300000000, -0.0003857900000000, 0.0005650500000000 ] - [ 0.0004934800000000, -0.0000310600000000, 0.0001021900000000 ] - [ 0.0002584100000000, 0.0000125600000000, 0.0000996000000000 ] - [ 0.0054912600000000, 0.0002007000000000, -0.0001224900000000 ] - [ 0.0008923100000000, 0.0002331000000000, -0.0002240500000000 ] - [ 0.0086183800000000, -0.0001429200000000, 0.0017980600000000 ] - [ 0.0048097100000000, -0.0004365000000000, -0.0000226300000000 ] - [ -0.0197005500000000, -0.0022365200000000, 0.0057994600000000 ] - [ 0.0005261100000000, 0.0001650700000000, -0.0008731000000000 ] - [ -0.0007008500000000, 0.0071930300000000, 0.0048129500000000 ] - [ 0.0014701400000000, -0.0030946900000000, 0.0041934500000000 ] - [ -0.0005632200000000, -0.0001819000000000, 0.0001931500000000 ] - [ -0.0005388200000000, -0.0006396000000000, -0.0001459700000000 ] - [ -0.0000749600000000, 0.0004325900000000, -0.0006980900000000 ] - [ 0.0000759800000000, 0.0000900900000000, -0.0005979600000000 ] - [ -0.0002704900000000, -0.0067257400000000, -0.0048052100000000 ] - [ 0.0015344200000000, 0.0030196200000000, -0.0038321800000000 ] - [ -0.0128181300000000, 0.0086434700000000, -0.0096286900000000 ] - [ 0.0000726800000000, -0.0013588700000000, 0.0002930400000000 ] - [ 0.0001151800000000, -0.0003349200000000, 0.0006023500000000 ] - [ 0.0001370700000000, -0.0000842000000000, 0.0004568800000000 ] - [ 0.0004041600000000, 0.0003408800000000, 0.0001877000000000 ] - [ 0.0002799500000000, -0.0002250200000000, -0.0000965900000000 ] - [ -0.0132883000000000, -0.0109111300000000, 0.0160616400000000 ] - [ -0.0001138300000000, 0.0005523200000000, 0.0002536800000000 ] - [ -0.0127899000000000, -0.0036446200000000, -0.0163117800000000 ] - [ -0.0002324400000000, 0.0007552300000000, -0.0000703800000000 ] - [ 0.0001172400000000, -0.0007965600000000, 0.0006480800000000 ] - [ 0.0000338500000000, 0.0000480700000000, 0.0001494500000000 ] - [ 0.0000879500000000, 0.0000213400000000, 0.0002218800000000 ] - [ 0.0000130000000000, 0.0000207500000000, 0.0001975300000000 ] - [ -0.0014559600000000, 0.0090602300000000, 0.0092603700000000 ] - [ 0.0003566900000000, -0.0002257400000000, 0.0006103500000000 ] - [ 0.0009027400000000, -0.0006932300000000, -0.0008631800000000 ] - [ 0.0003968500000000, -0.0007422100000000, -0.0010357400000000 ] - [ 0.0005887900000000, -0.0021132100000000, 0.0002809300000000 ] - [ -0.0018375300000000, 0.0114629900000000, -0.0071467100000000 ] - [ 0.0018757600000000, 0.0004441900000000, 0.0004750500000000 ] - [ 0.0001198800000000, -0.0000679200000000, 0.0000172300000000 ] - [ 0.0000834300000000, 0.0000656600000000, 0.0000650500000000 ] - [ 0.0000670900000000, -0.0000061200000000, 0.0001667000000000 ] - [ 0.0029243600000000, 0.0000355200000000, 0.0002461000000000 ] - [ 0.0015244200000000, 0.0000550500000000, 0.0000847000000000 ] - [ 0.1718012200000000, -0.0078277600000000, -0.0017927700000000 ] - [ 0.0005192700000000, -0.0000176000000000, -0.0001349800000000 ] - [ 0.0020962500000000, 0.0002066700000000, -0.0007539000000000 ] - [ 0.0004928500000000, 0.0000863000000000, -0.0001271300000000 ] - [ -0.0003155400000000, -0.0001082500000000, 0.0012050600000000 ] - [ -0.0003008200000000, -0.0004200600000000, 0.0008146900000000 ] - [ 0.0001931800000000, 0.0001622700000000, -0.0002502500000000 ] - [ 0.0000961000000000, 0.0002199700000000, -0.0000986200000000 ] - [ 0.0005124900000000, 0.0021967600000000, 0.0005401000000000 ] - [ -0.0028929100000000, -0.0122489500000000, 0.0078788700000000 ] - [ 0.0010076200000000, 0.0008655300000000, 0.0007278600000000 ] - [ 0.0004852300000000, 0.0007068600000000, 0.0008730700000000 ] - [ -0.0017595900000000, -0.0077153600000000, -0.0095678600000000 ] - [ -0.0000237400000000, 0.0008391900000000, -0.0005041800000000 ] - [ 0.0001312100000000, -0.0002280600000000, 0.0001382500000000 ] - [ 0.0001351300000000, -0.0004021200000000, -0.0000447900000000 ] - [ 0.0000554300000000, 0.0000042900000000, -0.0000327700000000 ] - [ -0.0002129600000000, -0.0000012900000000, -0.0000445200000000 ] - [ -0.0125252700000000, 0.0030178300000000, 0.0150666800000000 ] - [ -0.0002554500000000, -0.0003516000000000, 0.0000810000000000 ] - [ -0.0169020700000000, 0.0156898000000000, -0.0115843000000000 ] - [ -0.0002450300000000, -0.0001946300000000, -0.0004507900000000 ] - [ -0.0002600100000000, 0.0001241700000000, -0.0005703500000000 ] - [ -0.0001693900000000, 0.0001075200000000, -0.0003819500000000 ] - [ -0.0001411700000000, 0.0001806100000000, -0.0012066800000000 ] - [ -0.0001810800000000, 0.0005694100000000, -0.0006764700000000 ] - [ -0.0021420200000000, -0.0002258200000000, -0.0003956700000000 ] - [ -0.0001788700000000, 0.0001724600000000, -0.0001928400000000 ] - [ -0.0023686500000000, -0.0000870700000000, -0.0001003700000000 ] - [ -0.0020667300000000, 0.0000593600000000, -0.0001849900000000 ] - [ -0.0564318100000000, -0.0013021200000000, 0.0023137000000000 ] - [ -0.0008810600000000, 0.0003192900000000, 0.0000411600000000 ] - [ -0.0001110900000000, 0.0002001200000000, -0.0000660700000000 ] - [ -0.0000683900000000, 0.0002702900000000, -0.0000299100000000 ] - [ -0.0019757400000000, 0.0001897300000000, 0.0001525400000000 ] - [ -0.0002262600000000, -0.0000428000000000, -0.0006145700000000 ]- atom: 53 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0003438800000000, 0.0046250000000000, -0.0005251000000000 ] - [ -0.0003074600000000, -0.0027524900000000, 0.0010347700000000 ] - [ 0.0001011900000000, 0.0003906300000000, -0.0003862800000000 ] - [ 0.0000910000000000, -0.0003182000000000, 0.0016939100000000 ] - [ -0.0002098900000000, 0.0113732400000000, -0.0024080300000000 ] - [ 0.0001720400000000, -0.0034513500000000, -0.0015250900000000 ] - [ 0.0006121600000000, 0.0064259800000000, 0.0021062300000000 ] - [ -0.0006053700000000, -0.0089916400000000, -0.0038031800000000 ] - [ 0.0007320800000000, 0.0029043600000000, -0.0009970000000000 ] - [ 0.0002631400000000, -0.0022242900000000, 0.0016661800000000 ] - [ 0.0000004300000000, 0.0002067500000000, 0.0003150900000000 ] - [ -0.0000289100000000, -0.0001284000000000, 0.0009758000000000 ] - [ -0.0001195600000000, 0.0028476700000000, 0.0006181500000000 ] - [ -0.0001554000000000, -0.0016632900000000, -0.0005989400000000 ] - [ 0.0003507700000000, -0.0004518200000000, 0.0008911700000000 ] - [ 0.0004082600000000, -0.0039342400000000, -0.0021427200000000 ] - [ -0.0119061800000000, 0.0210216900000000, -0.0007676400000000 ] - [ -0.0003487600000000, -0.0060401800000000, -0.0020052900000000 ] - [ -0.0034628700000000, 0.0009107100000000, -0.0048133600000000 ] - [ 0.0017000500000000, -0.0057850900000000, 0.0046557000000000 ] - [ -0.0001829300000000, -0.0009819200000000, 0.0033913100000000 ] - [ 0.0001920800000000, -0.0006166500000000, -0.0000951000000000 ] - [ -0.0004656700000000, 0.0018035200000000, 0.0008619300000000 ] - [ 0.0002140000000000, -0.0015898800000000, 0.0003870100000000 ] - [ 0.0035795700000000, 0.0006949500000000, -0.0046263300000000 ] - [ -0.0018305600000000, -0.0057100300000000, 0.0045805000000000 ] - [ 0.0106374100000000, 0.0239534200000000, -0.0001397600000000 ] - [ 0.0004520300000000, -0.0067216600000000, -0.0021330100000000 ] - [ 0.0006026000000000, 0.0016834700000000, 0.0011528200000000 ] - [ -0.0001081200000000, -0.0017474700000000, 0.0004561300000000 ] - [ -0.0002620600000000, 0.0004940000000000, 0.0015266500000000 ] - [ -0.0002067800000000, -0.0008397600000000, -0.0001442200000000 ] - [ 0.0087165100000000, -0.0068943900000000, -0.0027783200000000 ] - [ 0.0002808600000000, 0.0028438800000000, -0.0001769100000000 ] - [ 0.0026775900000000, -0.0051065300000000, 0.0003856700000000 ] - [ 0.0000879500000000, 0.0034169400000000, 0.0014674700000000 ] - [ 0.0005164700000000, -0.0004951200000000, -0.0002673700000000 ] - [ 0.0000717300000000, 0.0005867200000000, -0.0001846500000000 ] - [ -0.0002048000000000, -0.0007060800000000, -0.0000892700000000 ] - [ -0.0002204500000000, 0.0007253300000000, -0.0000489600000000 ] - [ -0.0044268300000000, 0.0019154600000000, 0.0057662000000000 ] - [ 0.0044804700000000, 0.0045906700000000, 0.0004390300000000 ] - [ -0.0010155800000000, -0.0000260200000000, -0.0020766300000000 ] - [ -0.0000249500000000, 0.0007787500000000, 0.0005559000000000 ] - [ 0.0020304900000000, 0.0037222100000000, 0.0032179300000000 ] - [ -0.0081345100000000, 0.0118133300000000, -0.0075071500000000 ] - [ -0.0002676800000000, -0.0009691900000000, 0.0004724300000000 ] - [ 0.0000463900000000, 0.0007160000000000, -0.0004667000000000 ] - [ -0.0001589400000000, 0.0007840500000000, -0.0007310400000000 ] - [ 0.0002002200000000, -0.0000705500000000, -0.0004223000000000 ] - [ -0.0000265800000000, -0.0014380300000000, 0.0039948300000000 ] - [ -0.0000931200000000, 0.0019693000000000, -0.0007747700000000 ] - [ 0.0063574800000000, -0.0707177100000000, 0.0153350500000000 ] - [ -0.0002922800000000, 0.0023538800000000, 0.0000213600000000 ] - [ -0.0002667700000000, -0.0024595400000000, -0.0062525900000000 ] - [ 0.0001408700000000, 0.0012604100000000, 0.0008849600000000 ] - [ -0.0002070500000000, -0.0008466200000000, 0.0003842900000000 ] - [ 0.0001763900000000, 0.0015389300000000, -0.0014509300000000 ] - [ 0.0000960500000000, -0.0008843900000000, -0.0011813600000000 ] - [ 0.0000799800000000, 0.0005439000000000, -0.0005729200000000 ] - [ -0.0022413000000000, 0.0034673500000000, 0.0030421100000000 ] - [ 0.0091697100000000, 0.0128921700000000, -0.0079614500000000 ] - [ 0.0010439200000000, 0.0000464300000000, -0.0018839200000000 ] - [ 0.0000341700000000, 0.0006544800000000, 0.0005260700000000 ] - [ 0.0028091300000000, 0.0009520400000000, 0.0050506100000000 ] - [ -0.0044389300000000, 0.0049536500000000, -0.0001961400000000 ] - [ -0.0000839100000000, -0.0001499000000000, -0.0004546600000000 ] - [ 0.0000909600000000, -0.0001523600000000, 0.0001339000000000 ] - [ 0.0000068300000000, -0.0005586600000000, -0.0002757400000000 ] - [ 0.0000086800000000, 0.0005831600000000, -0.0001935200000000 ] - [ -0.0023935300000000, -0.0049366700000000, 0.0008781900000000 ] - [ -0.0000707500000000, 0.0033311700000000, 0.0013693200000000 ] - [ -0.0124042400000000, -0.0071905600000000, -0.0021095700000000 ] - [ -0.0001291200000000, 0.0035731900000000, -0.0003427300000000 ] - [ -0.0001018000000000, -0.0007210700000000, -0.0009657800000000 ] - [ -0.0000898200000000, 0.0005898000000000, -0.0004178600000000 ] - [ 0.0002092900000000, -0.0008338500000000, 0.0006318100000000 ] - [ -0.0002285300000000, 0.0017333900000000, -0.0014375800000000 ] - [ 0.0001744400000000, -0.0008010200000000, -0.0014423500000000 ] - [ -0.0000475400000000, 0.0012248900000000, 0.0002203500000000 ] - [ 0.0002842700000000, 0.0003164100000000, 0.0003801200000000 ] - [ 0.0003023100000000, -0.0003151500000000, -0.0012363100000000 ] - [ -0.0020087300000000, 0.0056406500000000, -0.0005039600000000 ] - [ 0.0001903300000000, 0.0011782700000000, 0.0007501400000000 ] - [ 0.0001157600000000, 0.0006916900000000, -0.0003697000000000 ] - [ -0.0001988200000000, -0.0000540100000000, -0.0003814100000000 ] - [ 0.0000244900000000, -0.0005980100000000, 0.0012637100000000 ] - [ -0.0002115500000000, 0.0001498500000000, -0.0012192100000000 ]- atom: 53 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0003135300000000, -0.0048000700000000, 0.0006617600000000 ] - [ 0.0002800000000000, 0.0026163100000000, -0.0009353000000000 ] - [ 0.0000925500000000, 0.0000555400000000, 0.0006476200000000 ] - [ 0.0001014300000000, 0.0007809600000000, -0.0014259500000000 ] - [ 0.0003307000000000, -0.0113453600000000, 0.0020275800000000 ] - [ -0.0000558600000000, 0.0034326100000000, 0.0014268800000000 ] - [ -0.0006762700000000, -0.0078666200000000, -0.0017724800000000 ] - [ 0.0005275500000000, 0.0085490100000000, 0.0034961000000000 ] - [ -0.0006611200000000, -0.0033582100000000, 0.0012919600000000 ] - [ -0.0001915200000000, 0.0018043800000000, -0.0014044100000000 ] - [ -0.0001174800000000, -0.0002402400000000, -0.0002065200000000 ] - [ -0.0000874900000000, 0.0001108800000000, -0.0008616300000000 ] - [ -0.0000723700000000, -0.0023757300000000, -0.0009254700000000 ] - [ -0.0000365300000000, 0.0021127200000000, 0.0003369900000000 ] - [ -0.0003136300000000, 0.0002525500000000, -0.0009983200000000 ] - [ -0.0003730000000000, 0.0038214700000000, 0.0020521100000000 ] - [ 0.0118571900000000, -0.0211703100000000, 0.0008149900000000 ] - [ 0.0006759800000000, 0.0060345100000000, 0.0020088600000000 ] - [ 0.0033266100000000, -0.0011343800000000, 0.0047459800000000 ] - [ -0.0018583500000000, 0.0056621300000000, -0.0047261100000000 ] - [ 0.0003561100000000, 0.0006212700000000, -0.0032676200000000 ] - [ -0.0000230700000000, 0.0002662200000000, 0.0002537800000000 ] - [ 0.0005781600000000, -0.0016340300000000, -0.0012894400000000 ] - [ -0.0000999900000000, 0.0017648600000000, -0.0008044900000000 ] - [ -0.0037262700000000, -0.0006013200000000, 0.0050671000000000 ] - [ 0.0017114400000000, 0.0059075200000000, -0.0041496700000000 ] - [ -0.0104927700000000, -0.0243986500000000, 0.0000433500000000 ] - [ -0.0006348100000000, 0.0064045100000000, 0.0019925600000000 ] - [ -0.0004341500000000, -0.0018294700000000, -0.0010734900000000 ] - [ 0.0002737500000000, 0.0016032300000000, -0.0003657800000000 ] - [ -0.0000522100000000, -0.0005478500000000, -0.0015155600000000 ] - [ -0.0001074500000000, 0.0008044100000000, 0.0001611500000000 ] - [ -0.0084774300000000, 0.0067090700000000, 0.0028459600000000 ] - [ -0.0000274000000000, -0.0031451900000000, 0.0002662900000000 ] - [ -0.0025189400000000, 0.0054240100000000, -0.0004230500000000 ] - [ -0.0000043200000000, -0.0031587500000000, -0.0015952700000000 ] - [ -0.0004782100000000, 0.0005232300000000, 0.0003736200000000 ] - [ -0.0000272500000000, -0.0005699700000000, 0.0002920100000000 ] - [ -0.0002984100000000, 0.0007465900000000, 0.0004631500000000 ] - [ -0.0002825700000000, -0.0006882600000000, 0.0004216200000000 ] - [ 0.0042502300000000, -0.0019194600000000, -0.0053940800000000 ] - [ -0.0046932300000000, -0.0046138600000000, -0.0000696000000000 ] - [ 0.0008775400000000, 0.0001624900000000, 0.0018157200000000 ] - [ -0.0001346600000000, -0.0006093600000000, -0.0008267600000000 ] - [ -0.0019684600000000, -0.0034633700000000, -0.0027702000000000 ] - [ 0.0081103700000000, -0.0114094700000000, 0.0079156700000000 ] - [ 0.0001036400000000, 0.0007584400000000, -0.0004102100000000 ] - [ -0.0002108000000000, -0.0009337300000000, 0.0005439100000000 ] - [ 0.0001942300000000, -0.0004843400000000, 0.0007153000000000 ] - [ -0.0001638400000000, 0.0003655500000000, 0.0004028800000000 ] - [ -0.0000376600000000, 0.0014545800000000, -0.0038831300000000 ] - [ 0.0000293900000000, -0.0019878400000000, 0.0008941800000000 ] - [ -0.0067217200000000, 0.0713325200000000, -0.0161851700000000 ] - [ -0.0000564600000000, -0.0026552900000000, -0.0003821800000000 ] - [ 0.0004204600000000, 0.0025956000000000, 0.0061956200000000 ] - [ 0.0000087400000000, -0.0011851000000000, -0.0009993500000000 ] - [ 0.0000421100000000, 0.0008307600000000, -0.0002994000000000 ] - [ -0.0003420500000000, -0.0015630700000000, 0.0015199600000000 ] - [ 0.0000808600000000, 0.0010585300000000, 0.0006935100000000 ] - [ 0.0000962900000000, -0.0003817700000000, 0.0000779600000000 ] - [ 0.0020984500000000, -0.0033245400000000, -0.0025890400000000 ] - [ -0.0092235200000000, -0.0125981300000000, 0.0083638900000000 ] - [ -0.0008978600000000, -0.0000946200000000, 0.0018215800000000 ] - [ 0.0001351400000000, -0.0006675100000000, -0.0005990800000000 ] - [ -0.0029416600000000, -0.0008988500000000, -0.0049502500000000 ] - [ 0.0043569800000000, -0.0049193800000000, 0.0003218100000000 ] - [ 0.0004382100000000, -0.0001348600000000, 0.0008202900000000 ] - [ 0.0002594700000000, -0.0001373300000000, 0.0002250800000000 ] - [ 0.0000583400000000, 0.0005445000000000, 0.0001649500000000 ] - [ 0.0000563800000000, -0.0005934400000000, 0.0000699700000000 ] - [ 0.0022838000000000, 0.0052828500000000, -0.0007751700000000 ] - [ 0.0000386600000000, -0.0030434100000000, -0.0013556700000000 ] - [ 0.0126299400000000, 0.0070853600000000, 0.0020311500000000 ] - [ 0.0002991900000000, -0.0038132300000000, 0.0002832800000000 ] - [ 0.0000113200000000, 0.0010099400000000, 0.0004772600000000 ] - [ -0.0000000600000000, -0.0003095200000000, -0.0000752500000000 ] - [ -0.0000533800000000, 0.0010006700000000, -0.0003514700000000 ] - [ 0.0003850300000000, -0.0015735000000000, 0.0017025600000000 ] - [ -0.0000299800000000, 0.0008282800000000, 0.0010696200000000 ] - [ 0.0001922600000000, -0.0012157600000000, -0.0005932800000000 ] - [ 0.0002189300000000, -0.0002613700000000, -0.0007505400000000 ] - [ 0.0001991600000000, 0.0003374000000000, 0.0008608700000000 ] - [ 0.0019623700000000, -0.0056444500000000, 0.0004054300000000 ] - [ -0.0002373100000000, -0.0011525600000000, -0.0008592100000000 ] - [ -0.0002020000000000, -0.0004209400000000, 0.0004887400000000 ] - [ 0.0001115000000000, 0.0003197000000000, 0.0005011700000000 ] - [ -0.0002838500000000, 0.0003211700000000, -0.0013551300000000 ] - [ -0.0000466100000000, -0.0004219000000000, 0.0011409500000000 ]- atom: 53 displacement: [ -0.0014701282124378, 0.0000000000000000, 0.0098913458659069 ] forces: - [ 0.0013966700000000, -0.0011721100000000, -0.0059895000000000 ] - [ 0.0000545500000000, 0.0008784300000000, -0.0010682400000000 ] - [ 0.0001557300000000, -0.0011480000000000, -0.0034309000000000 ] - [ -0.0000458600000000, 0.0018408900000000, -0.0025295600000000 ] - [ -0.0012971700000000, 0.0029680300000000, 0.0115309800000000 ] - [ -0.0001379900000000, -0.0005544200000000, 0.0013027500000000 ] - [ -0.0024459800000000, 0.0019131400000000, 0.0108229800000000 ] - [ -0.0011245300000000, -0.0039608500000000, 0.0029167200000000 ] - [ -0.0008725900000000, -0.0007723700000000, -0.0036941800000000 ] - [ 0.0000101400000000, 0.0005896100000000, -0.0016110700000000 ] - [ -0.0000234700000000, -0.0006919000000000, -0.0021581700000000 ] - [ 0.0000181500000000, 0.0006996500000000, -0.0020945900000000 ] - [ 0.0008098200000000, 0.0009372200000000, -0.0012814700000000 ] - [ 0.0000681100000000, -0.0001198000000000, 0.0002584800000000 ] - [ 0.0013572600000000, 0.0030965600000000, -0.0002929600000000 ] - [ 0.0007964400000000, -0.0033477900000000, 0.0000393100000000 ] - [ -0.0101705900000000, -0.0015542100000000, 0.0226329300000000 ] - [ -0.0002080800000000, 0.0007625100000000, 0.0055237100000000 ] - [ -0.0031359300000000, -0.0057856200000000, -0.0000147200000000 ] - [ -0.0011058900000000, 0.0039279400000000, 0.0015039700000000 ] - [ -0.0001085800000000, 0.0012602600000000, -0.0051974000000000 ] - [ -0.0001677300000000, -0.0014282000000000, -0.0029331500000000 ] - [ 0.0008641900000000, -0.0007716400000000, -0.0046873900000000 ] - [ 0.0003823800000000, 0.0002561500000000, -0.0025071600000000 ] - [ 0.0030422400000000, -0.0079200400000000, -0.0004584500000000 ] - [ 0.0014454600000000, 0.0050731800000000, 0.0010839200000000 ] - [ 0.0025895300000000, -0.0037826600000000, 0.0200359500000000 ] - [ 0.0003932000000000, 0.0003264800000000, 0.0047507600000000 ] - [ -0.0007291300000000, -0.0010174400000000, -0.0043084500000000 ] - [ -0.0002576600000000, -0.0000200900000000, -0.0021371400000000 ] - [ 0.0003836600000000, 0.0001780400000000, -0.0041520800000000 ] - [ -0.0000052600000000, -0.0007296000000000, -0.0035330100000000 ] - [ -0.0136709600000000, -0.0046545600000000, 0.0055038100000000 ] - [ 0.0004020000000000, 0.0008793000000000, -0.0009299900000000 ] - [ 0.0091998000000000, 0.0007708800000000, -0.0003261700000000 ] - [ 0.0001037100000000, -0.0013678000000000, -0.0019503700000000 ] - [ -0.0004469400000000, -0.0005351300000000, 0.0017213400000000 ] - [ -0.0000229300000000, -0.0000773900000000, 0.0010043000000000 ] - [ -0.0002741400000000, 0.0000698700000000, 0.0016587100000000 ] - [ -0.0002453500000000, -0.0004724200000000, 0.0008179600000000 ] - [ -0.0043670200000000, 0.0051952100000000, 0.0022590600000000 ] - [ -0.0024755100000000, -0.0033745300000000, -0.0009626000000000 ] - [ 0.0045255900000000, -0.0034942800000000, 0.0031021300000000 ] - [ 0.0001967000000000, 0.0013106600000000, 0.0006793700000000 ] - [ 0.0001416700000000, 0.0021528800000000, -0.0031554700000000 ] - [ 0.0048947100000000, -0.0033856900000000, -0.0045540200000000 ] - [ 0.0005182600000000, 0.0016150500000000, 0.0018701400000000 ] - [ -0.0000723400000000, -0.0005498100000000, 0.0007194800000000 ] - [ -0.0004880600000000, -0.0001809600000000, 0.0021891400000000 ] - [ -0.0002420200000000, -0.0004401200000000, 0.0020933100000000 ] - [ 0.0003216000000000, 0.0061512600000000, 0.0059839200000000 ] - [ 0.0002344100000000, -0.0012922300000000, 0.0000350600000000 ] - [ 0.0261991100000000, 0.0144449600000000, -0.0746227000000000 ] - [ -0.0001213500000000, 0.0000700300000000, -0.0019731000000000 ] - [ 0.0006283400000000, -0.0014958100000000, 0.0062435900000000 ] - [ 0.0000818600000000, -0.0001312000000000, 0.0004446800000000 ] - [ -0.0003755900000000, 0.0004022900000000, 0.0018926300000000 ] - [ -0.0003211800000000, -0.0009838900000000, 0.0011229500000000 ] - [ -0.0001676000000000, 0.0013086900000000, 0.0025636800000000 ] - [ 0.0000243000000000, 0.0005686300000000, 0.0014337400000000 ] - [ 0.0000714200000000, 0.0023118100000000, -0.0035475700000000 ] - [ -0.0053796900000000, -0.0070511400000000, -0.0029265700000000 ] - [ -0.0045811900000000, -0.0039827000000000, 0.0034024600000000 ] - [ -0.0000811400000000, 0.0014140700000000, 0.0010050300000000 ] - [ 0.0034865600000000, 0.0025744100000000, 0.0011834000000000 ] - [ 0.0022028900000000, -0.0033484300000000, -0.0003828500000000 ] - [ 0.0003973000000000, -0.0001124600000000, 0.0017452200000000 ] - [ 0.0002113000000000, 0.0004472000000000, 0.0017159900000000 ] - [ 0.0000679700000000, -0.0002241800000000, 0.0018604100000000 ] - [ 0.0000129800000000, -0.0001052400000000, 0.0006417600000000 ] - [ -0.0131598400000000, 0.0022224700000000, 0.0044363900000000 ] - [ -0.0001693800000000, -0.0013484200000000, -0.0016956200000000 ] - [ 0.0075734300000000, -0.0011328100000000, -0.0029276400000000 ] - [ -0.0003851300000000, 0.0008486400000000, -0.0014534200000000 ] - [ 0.0002065900000000, 0.0013735500000000, 0.0023027900000000 ] - [ 0.0000006700000000, 0.0007329600000000, 0.0013941900000000 ] - [ 0.0003079100000000, 0.0004925200000000, 0.0015518700000000 ] - [ 0.0002605200000000, -0.0008027900000000, 0.0009944800000000 ] - [ -0.0004638900000000, -0.0006010000000000, 0.0020725700000000 ] - [ 0.0000385200000000, -0.0000167800000000, 0.0008582100000000 ] - [ -0.0000321300000000, 0.0014932100000000, 0.0000188000000000 ] - [ -0.0001592400000000, -0.0008341500000000, -0.0009099800000000 ] - [ -0.0063409000000000, 0.0039781900000000, -0.0001351800000000 ] - [ -0.0001101000000000, -0.0006543200000000, -0.0017703400000000 ] - [ 0.0003866000000000, -0.0001799400000000, 0.0019840300000000 ] - [ 0.0002037500000000, -0.0006026900000000, 0.0022019700000000 ] - [ -0.0005475600000000, 0.0010089900000000, 0.0017011800000000 ] - [ -0.0001303900000000, -0.0003362400000000, 0.0014909700000000 ]- atom: 53 displacement: [ 0.0014701282124378, 0.0000000000000000, -0.0098913458659069 ] forces: - [ -0.0014131400000000, 0.0009953700000000, 0.0061093000000000 ] - [ -0.0000869400000000, -0.0010326400000000, 0.0011900100000000 ] - [ 0.0000370600000000, 0.0016170400000000, 0.0037231900000000 ] - [ 0.0002400000000000, -0.0014099000000000, 0.0028178800000000 ] - [ 0.0014343300000000, -0.0025239900000000, -0.0130321500000000 ] - [ 0.0002565400000000, 0.0005325300000000, -0.0014347400000000 ] - [ 0.0023749800000000, -0.0028021100000000, -0.0108866900000000 ] - [ 0.0010460500000000, 0.0035706500000000, -0.0031894400000000 ] - [ 0.0009419400000000, 0.0003223900000000, 0.0040040000000000 ] - [ 0.0000657100000000, -0.0010209400000000, 0.0019017000000000 ] - [ -0.0000943500000000, 0.0006705000000000, 0.0022817300000000 ] - [ -0.0001355100000000, -0.0007343500000000, 0.0022223200000000 ] - [ -0.0010135400000000, -0.0004800200000000, 0.0009803900000000 ] - [ -0.0002617400000000, 0.0005767300000000, -0.0005378000000000 ] - [ -0.0013023200000000, -0.0032757600000000, 0.0001919400000000 ] - [ -0.0007591200000000, 0.0032314800000000, -0.0001256600000000 ] - [ 0.0103038900000000, 0.0016140100000000, -0.0228681100000000 ] - [ 0.0005244300000000, -0.0008030400000000, -0.0055527400000000 ] - [ 0.0030073900000000, 0.0056504200000000, -0.0001182400000000 ] - [ 0.0009504300000000, -0.0040882200000000, -0.0016548300000000 ] - [ 0.0002809300000000, -0.0016155400000000, 0.0053667900000000 ] - [ 0.0003369900000000, 0.0010701700000000, 0.0031151500000000 ] - [ -0.0007635800000000, 0.0009543900000000, 0.0043057400000000 ] - [ -0.0002722400000000, -0.0000766600000000, 0.0021021700000000 ] - [ -0.0031889600000000, 0.0081348300000000, 0.0008433100000000 ] - [ -0.0015731200000000, -0.0049226700000000, -0.0007207900000000 ] - [ -0.0028250000000000, 0.0034433300000000, -0.0203242500000000 ] - [ -0.0005652100000000, -0.0006790600000000, -0.0049227300000000 ] - [ 0.0009100600000000, 0.0008865300000000, 0.0044339000000000 ] - [ 0.0004268000000000, -0.0001191400000000, 0.0022361400000000 ] - [ -0.0006996900000000, -0.0002211400000000, 0.0041922500000000 ] - [ -0.0003098300000000, 0.0006893600000000, 0.0035764500000000 ] - [ 0.0137686300000000, 0.0043259100000000, -0.0054158400000000 ] - [ -0.0001469000000000, -0.0011670600000000, 0.0010148200000000 ] - [ -0.0091547700000000, -0.0004962300000000, 0.0002899000000000 ] - [ -0.0000159800000000, 0.0016437000000000, 0.0018448700000000 ] - [ 0.0004887600000000, 0.0005618900000000, -0.0016249100000000 ] - [ 0.0000676700000000, 0.0001009400000000, -0.0009065700000000 ] - [ -0.0002290600000000, -0.0000326800000000, -0.0013009100000000 ] - [ -0.0002580000000000, 0.0005159500000000, -0.0004480500000000 ] - [ 0.0041848900000000, -0.0051557000000000, -0.0019134900000000 ] - [ 0.0023261100000000, 0.0034040200000000, 0.0013369500000000 ] - [ -0.0047718000000000, 0.0037111600000000, -0.0034103700000000 ] - [ -0.0003609600000000, -0.0011569500000000, -0.0009474200000000 ] - [ -0.0000473800000000, -0.0018661700000000, 0.0036710300000000 ] - [ -0.0048120900000000, 0.0036276200000000, 0.0051485400000000 ] - [ -0.0006812800000000, -0.0018296900000000, -0.0018142800000000 ] - [ -0.0000924100000000, 0.0003301200000000, -0.0006574500000000 ] - [ 0.0005292500000000, 0.0004760500000000, -0.0022176700000000 ] - [ 0.0002803900000000, 0.0007450800000000, -0.0021325000000000 ] - [ -0.0003934500000000, -0.0062629300000000, -0.0059472400000000 ] - [ -0.0003003600000000, 0.0012923000000000, 0.0000980400000000 ] - [ -0.0262331300000000, -0.0148039800000000, 0.0757542900000000 ] - [ -0.0002284700000000, -0.0003642500000000, 0.0016222800000000 ] - [ -0.0004741800000000, 0.0015673600000000, -0.0063390800000000 ] - [ 0.0000682200000000, 0.0002140500000000, -0.0005726900000000 ] - [ 0.0002143200000000, -0.0004275200000000, -0.0018193700000000 ] - [ 0.0001558700000000, 0.0009642500000000, -0.0010449900000000 ] - [ 0.0003473100000000, -0.0011478800000000, -0.0030757800000000 ] - [ 0.0001528500000000, -0.0004057500000000, -0.0019408900000000 ] - [ -0.0002505100000000, -0.0021490600000000, 0.0040709500000000 ] - [ 0.0052277800000000, 0.0072155300000000, 0.0035292600000000 ] - [ 0.0048331300000000, 0.0040152100000000, -0.0035137300000000 ] - [ 0.0002536300000000, -0.0014457800000000, -0.0010786400000000 ] - [ -0.0036202900000000, -0.0025013400000000, -0.0011117700000000 ] - [ -0.0023434900000000, 0.0034372300000000, 0.0005028500000000 ] - [ -0.0000451100000000, -0.0001777900000000, -0.0013931300000000 ] - [ 0.0001392000000000, -0.0007371100000000, -0.0013673200000000 ] - [ -0.0000039000000000, 0.0002126800000000, -0.0019913800000000 ] - [ 0.0000523600000000, 0.0000925900000000, -0.0007663900000000 ] - [ 0.0132851700000000, -0.0019387000000000, -0.0044163100000000 ] - [ 0.0001334200000000, 0.0016539200000000, 0.0017285100000000 ] - [ -0.0074458800000000, 0.0009778300000000, 0.0027773100000000 ] - [ 0.0005523200000000, -0.0010748600000000, 0.0013927800000000 ] - [ -0.0003003300000000, -0.0010976100000000, -0.0028122200000000 ] - [ -0.0000915100000000, -0.0004530800000000, -0.0018976000000000 ] - [ -0.0001555000000000, -0.0003365300000000, -0.0012772500000000 ] - [ -0.0001029600000000, 0.0009652300000000, -0.0007175900000000 ] - [ 0.0006031300000000, 0.0006276800000000, -0.0024573900000000 ] - [ 0.0001052800000000, 0.0000336400000000, -0.0012413400000000 ] - [ 0.0005399800000000, -0.0014609100000000, -0.0003892400000000 ] - [ 0.0006650300000000, 0.0008783400000000, 0.0005550900000000 ] - [ 0.0062564300000000, -0.0040320100000000, 0.0000920600000000 ] - [ 0.0000650400000000, 0.0006802600000000, 0.0016705800000000 ] - [ -0.0004783400000000, 0.0004475400000000, -0.0018768100000000 ] - [ -0.0002930000000000, 0.0008786600000000, -0.0021026600000000 ] - [ 0.0002884800000000, -0.0012881700000000, -0.0018024800000000 ] - [ -0.0001268300000000, 0.0000584500000000, -0.0015835100000000 ]- atom: 55 displacement: [ 0.0099999999959232, 0.0000000000000000, 0.0000002855446085 ] forces: - [ -0.0050257300000000, 0.0122418000000000, -0.0001459800000000 ] - [ -0.0009090500000000, -0.0015798400000000, 0.0000694700000000 ] - [ -0.0000433300000000, 0.0004192100000000, 0.0015150400000000 ] - [ 0.0001646300000000, 0.0000896400000000, 0.0000788200000000 ] - [ 0.0005666700000000, 0.0000801700000000, -0.0001943700000000 ] - [ 0.0001142400000000, -0.0001501700000000, -0.0000287500000000 ] - [ 0.0131189000000000, 0.0006539100000000, 0.0015661400000000 ] - [ 0.0018144900000000, -0.0004441800000000, -0.0000489000000000 ] - [ 0.0025370500000000, -0.0085693500000000, -0.0015523800000000 ] - [ 0.0007856900000000, 0.0012758100000000, -0.0002858800000000 ] - [ 0.0000450700000000, 0.0002655500000000, -0.0010658900000000 ] - [ -0.0000111800000000, -0.0004816300000000, -0.0007573500000000 ] - [ -0.0005586400000000, 0.0002048900000000, -0.0002970800000000 ] - [ -0.0001802700000000, 0.0001850500000000, -0.0001491100000000 ] - [ -0.0062092300000000, 0.0004946200000000, 0.0004437400000000 ] - [ -0.0017895500000000, -0.0000787100000000, -0.0003296900000000 ] - [ 0.0001263400000000, 0.0033242000000000, -0.0042220400000000 ] - [ -0.0001242300000000, -0.0005615800000000, -0.0011738700000000 ] - [ -0.0001769200000000, -0.0003485300000000, -0.0004496400000000 ] - [ -0.0002259400000000, 0.0000748100000000, -0.0005386200000000 ] - [ 0.0195520100000000, 0.0058908000000000, -0.0073943000000000 ] - [ 0.0018050400000000, -0.0000816000000000, 0.0006677300000000 ] - [ 0.0010019100000000, -0.0003159300000000, -0.0007703200000000 ] - [ 0.0006101400000000, -0.0011002600000000, 0.0001621100000000 ] - [ 0.0003690000000000, 0.0009555800000000, 0.0006773000000000 ] - [ -0.0001517100000000, -0.0001543600000000, 0.0004615100000000 ] - [ -0.0001831400000000, -0.0029973400000000, 0.0039768800000000 ] - [ -0.0001674700000000, 0.0003142900000000, 0.0011210200000000 ] - [ -0.0006427700000000, -0.0000416300000000, -0.0002919900000000 ] - [ -0.0003547500000000, -0.0004914300000000, -0.0000784500000000 ] - [ -0.0109822600000000, -0.0010171700000000, -0.0021400700000000 ] - [ -0.0019994400000000, -0.0000127200000000, 0.0008830600000000 ] - [ 0.0078021100000000, -0.0012181800000000, 0.0090784100000000 ] - [ 0.0002344200000000, 0.0000314200000000, 0.0001309100000000 ] - [ 0.0001500000000000, 0.0002768600000000, 0.0008054100000000 ] - [ 0.0001182800000000, 0.0001941500000000, 0.0002571900000000 ] - [ 0.0129247600000000, 0.0041802600000000, -0.0116746000000000 ] - [ 0.0001701700000000, 0.0004239900000000, -0.0000092200000000 ] - [ -0.0004197000000000, -0.0004421700000000, -0.0001090300000000 ] - [ -0.0001341500000000, 0.0002146000000000, 0.0001177400000000 ] - [ -0.0001622600000000, -0.0022222900000000, 0.0017446000000000 ] - [ 0.0005220600000000, 0.0016692300000000, 0.0014481800000000 ] - [ -0.0000539300000000, 0.0001553000000000, 0.0000805800000000 ] - [ -0.0000167400000000, 0.0001892100000000, -0.0001223400000000 ] - [ -0.0002400900000000, 0.0000649500000000, 0.0002490000000000 ] - [ -0.0002490800000000, -0.0006359700000000, 0.0011812800000000 ] - [ -0.0057492700000000, -0.0035533100000000, -0.0013463600000000 ] - [ -0.0018035500000000, 0.0032762000000000, -0.0000220500000000 ] - [ 0.0009096900000000, 0.0013599900000000, -0.0029189000000000 ] - [ -0.0002294300000000, 0.0003652600000000, -0.0000923000000000 ] - [ -0.0001791400000000, -0.0000863700000000, -0.0000647100000000 ] - [ -0.0001982900000000, 0.0000406100000000, 0.0001074300000000 ] - [ -0.0021931200000000, -0.0005020600000000, 0.0000856000000000 ] - [ -0.0005919600000000, -0.0000741200000000, -0.0002352500000000 ] - [ -0.0509240200000000, -0.0111108000000000, 0.0141043700000000 ] - [ -0.0003542500000000, 0.0002724300000000, 0.0000069000000000 ] - [ -0.0002031500000000, -0.0001913400000000, 0.0002843700000000 ] - [ -0.0002205200000000, 0.0002648500000000, -0.0000975000000000 ] - [ -0.0023616100000000, -0.0003610800000000, 0.0028900400000000 ] - [ -0.0004378200000000, 0.0006129800000000, -0.0002105000000000 ] - [ -0.0009030400000000, 0.0001914800000000, 0.0007847800000000 ] - [ -0.0003584600000000, 0.0005193700000000, -0.0004310600000000 ] - [ -0.0000407000000000, 0.0000825100000000, 0.0000641100000000 ] - [ -0.0000048000000000, -0.0000037400000000, -0.0003658900000000 ] - [ 0.0003306200000000, 0.0029483400000000, -0.0032062400000000 ] - [ 0.0003243600000000, -0.0023278100000000, -0.0014203800000000 ] - [ 0.0018002300000000, -0.0030339300000000, 0.0040299800000000 ] - [ 0.0000848000000000, 0.0042873400000000, 0.0024879300000000 ] - [ 0.0001452600000000, -0.0000473400000000, 0.0001467000000000 ] - [ -0.0000198500000000, -0.0001298200000000, 0.0001092500000000 ] - [ -0.0001217600000000, 0.0001793900000000, -0.0009520900000000 ] - [ -0.0000047500000000, 0.0001877900000000, -0.0003013300000000 ] - [ 0.0040953900000000, -0.0000207700000000, -0.0064486300000000 ] - [ 0.0002106200000000, -0.0000551800000000, -0.0000882100000000 ] - [ 0.0013272300000000, -0.0004380900000000, 0.0005719100000000 ] - [ 0.0003549900000000, 0.0003826400000000, -0.0000579800000000 ] - [ 0.0002678100000000, -0.0000157700000000, 0.0003815400000000 ] - [ 0.0002141200000000, 0.0001617300000000, 0.0002816400000000 ] - [ 0.0090140400000000, -0.0012030000000000, 0.0011850100000000 ] - [ 0.0004159800000000, 0.0000357800000000, -0.0002951800000000 ] - [ 0.0003791100000000, -0.0000121800000000, -0.0001935000000000 ] - [ 0.0004904900000000, 0.0000667400000000, -0.0001398700000000 ] - [ 0.0021151000000000, -0.0001693200000000, -0.0000494700000000 ] - [ 0.0007170600000000, -0.0001165000000000, -0.0001156800000000 ] - [ 0.0012462100000000, 0.0006973100000000, -0.0001550800000000 ] - [ 0.0002417700000000, 0.0001468200000000, 0.0001224200000000 ] - [ 0.0076730400000000, -0.0034731500000000, -0.0015824800000000 ] - [ 0.0010201000000000, -0.0000791100000000, 0.0002604400000000 ]- atom: 55 displacement: [ -0.0099999999959232, 0.0000000000000000, -0.0000002855446085 ] forces: - [ 0.0044720200000000, -0.0121505700000000, 0.0003013400000000 ] - [ 0.0008353000000000, 0.0013922200000000, 0.0000333400000000 ] - [ 0.0002072500000000, 0.0000488000000000, -0.0012429700000000 ] - [ 0.0000227200000000, 0.0003584100000000, 0.0001878000000000 ] - [ -0.0004521400000000, -0.0001002100000000, 0.0000761000000000 ] - [ -0.0000007400000000, 0.0001152400000000, -0.0000901400000000 ] - [ -0.0131790800000000, -0.0010417000000000, -0.0018183900000000 ] - [ -0.0018940800000000, -0.0000053700000000, -0.0002280700000000 ] - [ -0.0021058100000000, 0.0084115700000000, 0.0019622800000000 ] - [ -0.0006649500000000, -0.0017321800000000, 0.0005681600000000 ] - [ -0.0001326700000000, -0.0002830400000000, 0.0011824900000000 ] - [ -0.0000976600000000, 0.0004454800000000, 0.0008591700000000 ] - [ 0.0003696000000000, 0.0002511600000000, 0.0000309800000000 ] - [ -0.0000088400000000, 0.0002640100000000, -0.0001206600000000 ] - [ 0.0062463100000000, -0.0006039100000000, -0.0005304000000000 ] - [ 0.0018267100000000, -0.0001045600000000, 0.0002378700000000 ] - [ 0.0001613100000000, -0.0033825400000000, 0.0042477100000000 ] - [ 0.0004328000000000, 0.0005021900000000, 0.0011551400000000 ] - [ 0.0000035700000000, 0.0002202800000000, 0.0003529200000000 ] - [ 0.0000603900000000, -0.0002256400000000, 0.0004489800000000 ] - [ -0.0192180400000000, -0.0061050700000000, 0.0074221500000000 ] - [ -0.0016180700000000, -0.0003045200000000, -0.0005097500000000 ] - [ -0.0008966200000000, 0.0005133900000000, 0.0003674300000000 ] - [ -0.0004859100000000, 0.0012208800000000, -0.0005590300000000 ] - [ -0.0004740200000000, -0.0007649900000000, -0.0002624100000000 ] - [ 0.0000380900000000, 0.0003211700000000, -0.0000443200000000 ] - [ 0.0000411500000000, 0.0026456400000000, -0.0041193800000000 ] - [ 0.0000058700000000, -0.0006952600000000, -0.0012841100000000 ] - [ 0.0008046800000000, -0.0001009000000000, 0.0003621400000000 ] - [ 0.0005185400000000, 0.0003455600000000, 0.0001599400000000 ] - [ 0.0106908400000000, 0.0010331000000000, 0.0021120100000000 ] - [ 0.0016640600000000, -0.0000796800000000, -0.0008905200000000 ] - [ -0.0076107400000000, 0.0009381800000000, -0.0091349300000000 ] - [ 0.0000267400000000, -0.0002952300000000, -0.0000470500000000 ] - [ -0.0000590500000000, -0.0000142300000000, -0.0009317000000000 ] - [ -0.0000300900000000, 0.0000809200000000, -0.0003704800000000 ] - [ -0.0129458300000000, -0.0042353600000000, 0.0119712200000000 ] - [ -0.0001135100000000, -0.0003873700000000, 0.0001136300000000 ] - [ -0.0000734500000000, 0.0004785500000000, 0.0004854600000000 ] - [ -0.0003580100000000, -0.0001691600000000, 0.0002526500000000 ] - [ 0.0000306400000000, 0.0022617900000000, -0.0013979200000000 ] - [ -0.0006356700000000, -0.0016431800000000, -0.0010751400000000 ] - [ -0.0001025700000000, 0.0000055200000000, -0.0003491300000000 ] - [ -0.0001395600000000, -0.0000274500000000, -0.0001453900000000 ] - [ 0.0003471500000000, 0.0002229100000000, 0.0002640500000000 ] - [ 0.0003441500000000, 0.0009257000000000, -0.0006980100000000 ] - [ 0.0056096500000000, 0.0033130900000000, 0.0014017300000000 ] - [ 0.0016669400000000, -0.0033837800000000, 0.0001056000000000 ] - [ -0.0008690600000000, -0.0010057900000000, 0.0027531800000000 ] - [ 0.0002639500000000, -0.0000707800000000, 0.0000736300000000 ] - [ 0.0001163000000000, 0.0000712100000000, 0.0001877900000000 ] - [ 0.0001353600000000, -0.0000483300000000, 0.0000170900000000 ] - [ 0.0018519800000000, 0.0001853400000000, -0.0004280700000000 ] - [ 0.0002423500000000, -0.0002064200000000, -0.0001250600000000 ] - [ 0.0511886700000000, 0.0104115200000000, -0.0142042000000000 ] - [ 0.0005022500000000, -0.0001721600000000, -0.0001233100000000 ] - [ 0.0000330500000000, 0.0001631700000000, -0.0002145600000000 ] - [ 0.0000490000000000, -0.0002772000000000, 0.0001662000000000 ] - [ 0.0025117300000000, 0.0004840000000000, -0.0034330400000000 ] - [ 0.0006036100000000, -0.0004274400000000, -0.0002831200000000 ] - [ 0.0007114700000000, -0.0000213000000000, -0.0002716300000000 ] - [ 0.0001807900000000, -0.0003514900000000, 0.0009234400000000 ] - [ 0.0002087300000000, -0.0001056700000000, -0.0001398600000000 ] - [ 0.0001746300000000, -0.0000166700000000, 0.0002790200000000 ] - [ -0.0004949300000000, -0.0028547900000000, 0.0032860600000000 ] - [ -0.0005011200000000, 0.0024178700000000, 0.0015381800000000 ] - [ -0.0014950900000000, 0.0027170900000000, -0.0036445500000000 ] - [ 0.0002523600000000, -0.0045084500000000, -0.0020835000000000 ] - [ -0.0000867800000000, 0.0000323400000000, -0.0002683600000000 ] - [ 0.0000741000000000, 0.0001214400000000, -0.0002340700000000 ] - [ 0.0000822100000000, 0.0001143500000000, 0.0009664000000000 ] - [ -0.0000322100000000, 0.0001162400000000, 0.0003254600000000 ] - [ -0.0039386800000000, -0.0002065700000000, 0.0063206400000000 ] - [ -0.0000514300000000, -0.0001433500000000, 0.0000154200000000 ] - [ -0.0014210100000000, 0.0007183900000000, -0.0010413900000000 ] - [ -0.0004472100000000, -0.0000847500000000, -0.0004263400000000 ] - [ -0.0001108000000000, 0.0001693300000000, -0.0001062400000000 ] - [ -0.0000556500000000, 0.0000017600000000, -0.0000080100000000 ] - [ -0.0088196200000000, 0.0011890600000000, -0.0015443800000000 ] - [ -0.0002731400000000, 0.0000045200000000, -0.0000807800000000 ] - [ 0.0001221200000000, 0.0000497700000000, -0.0001788300000000 ] - [ 0.0000108100000000, -0.0000264500000000, -0.0002328400000000 ] - [ -0.0021652300000000, 0.0001950400000000, -0.0000605400000000 ] - [ -0.0007621100000000, 0.0001356100000000, 0.0000089100000000 ] - [ -0.0013326600000000, -0.0004387100000000, 0.0002901600000000 ] - [ -0.0003254000000000, 0.0001223000000000, 0.0000041700000000 ] - [ -0.0079849000000000, 0.0032832900000000, 0.0015118200000000 ] - [ -0.0012778900000000, -0.0002172100000000, -0.0003472900000000 ]- atom: 55 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0122808500000000, 0.0056899000000000, -0.0003796000000000 ] - [ -0.0041059400000000, -0.0065759300000000, -0.0013444700000000 ] - [ -0.0017728700000000, 0.0019644400000000, 0.0022320800000000 ] - [ 0.0001975900000000, -0.0007253600000000, -0.0007728700000000 ] - [ 0.0000124100000000, 0.0003740400000000, 0.0006359500000000 ] - [ -0.0001414600000000, -0.0008397400000000, -0.0001466200000000 ] - [ 0.0014094500000000, 0.0168883000000000, 0.0082035900000000 ] - [ 0.0004240800000000, -0.0039737700000000, 0.0019931300000000 ] - [ -0.0092409000000000, 0.0012817000000000, -0.0027759200000000 ] - [ 0.0045588600000000, -0.0068805000000000, -0.0001743100000000 ] - [ 0.0011961000000000, 0.0029116600000000, 0.0020351000000000 ] - [ 0.0000173100000000, -0.0015404700000000, -0.0018475500000000 ] - [ -0.0000567700000000, 0.0006028400000000, 0.0003597600000000 ] - [ 0.0000832900000000, -0.0002750000000000, 0.0000248200000000 ] - [ 0.0003544800000000, 0.0036856900000000, -0.0006708400000000 ] - [ -0.0005068300000000, -0.0039077600000000, 0.0019665000000000 ] - [ 0.0003840300000000, 0.0010385200000000, 0.0040640600000000 ] - [ -0.0001593200000000, -0.0024478700000000, -0.0013606800000000 ] - [ -0.0005923200000000, 0.0016135500000000, -0.0001418600000000 ] - [ 0.0001028600000000, -0.0013125100000000, 0.0003582200000000 ] - [ 0.0058462000000000, 0.0420204700000000, -0.0288928000000000 ] - [ 0.0002683400000000, -0.0117784000000000, -0.0037491100000000 ] - [ 0.0002784600000000, 0.0019155900000000, -0.0022984600000000 ] - [ 0.0010775000000000, -0.0062418700000000, 0.0017119800000000 ] - [ 0.0005352800000000, 0.0021791500000000, 0.0004095600000000 ] - [ -0.0002948600000000, -0.0013130100000000, 0.0007893900000000 ] - [ -0.0012743100000000, 0.0028640600000000, 0.0058549300000000 ] - [ 0.0004580000000000, -0.0037361900000000, -0.0017662700000000 ] - [ -0.0002158500000000, 0.0013697100000000, -0.0010089000000000 ] - [ -0.0001495600000000, -0.0020895400000000, -0.0000295600000000 ] - [ -0.0006451900000000, 0.0043320200000000, -0.0026006900000000 ] - [ -0.0012278100000000, -0.0055712700000000, -0.0026550700000000 ] - [ -0.0007331400000000, -0.0043044200000000, -0.0026250700000000 ] - [ 0.0004674400000000, 0.0023380300000000, 0.0001335700000000 ] - [ 0.0000652300000000, -0.0008553100000000, -0.0013232400000000 ] - [ 0.0000521900000000, 0.0009733600000000, 0.0005062600000000 ] - [ 0.0087907300000000, -0.0079703100000000, 0.0000738300000000 ] - [ -0.0006264000000000, 0.0029254700000000, 0.0000322300000000 ] - [ -0.0003008500000000, -0.0010305600000000, 0.0004138700000000 ] - [ 0.0003975900000000, 0.0010569400000000, -0.0000685800000000 ] - [ -0.0009914400000000, 0.0011234900000000, -0.0029486300000000 ] - [ 0.0024111500000000, 0.0019563000000000, 0.0021983200000000 ] - [ -0.0001013500000000, 0.0000899400000000, -0.0000924300000000 ] - [ 0.0000861100000000, 0.0002216800000000, -0.0002182600000000 ] - [ 0.0009607600000000, 0.0003796800000000, 0.0017209500000000 ] - [ 0.0000815300000000, 0.0007441300000000, -0.0008753600000000 ] - [ -0.0042564100000000, 0.0203691300000000, 0.0092940300000000 ] - [ 0.0026205700000000, 0.0149227600000000, -0.0017071800000000 ] - [ 0.0012029800000000, 0.0060670700000000, -0.0135535800000000 ] - [ -0.0001417900000000, 0.0003179400000000, 0.0021126300000000 ] - [ 0.0000234500000000, -0.0007108000000000, -0.0005069300000000 ] - [ 0.0000027100000000, 0.0005200900000000, 0.0001690700000000 ] - [ -0.0003476300000000, -0.0026760700000000, -0.0017465400000000 ] - [ -0.0002136100000000, 0.0010815000000000, -0.0003603700000000 ] - [ -0.0106076500000000, -0.0883486200000000, 0.0312556600000000 ] - [ 0.0002983300000000, 0.0041472400000000, -0.0012900700000000 ] - [ -0.0000127800000000, -0.0012113800000000, 0.0001320100000000 ] - [ -0.0003918400000000, 0.0012779100000000, -0.0004713300000000 ] - [ -0.0009611200000000, -0.0058019200000000, 0.0029007500000000 ] - [ -0.0001869300000000, 0.0046136700000000, 0.0017678200000000 ] - [ -0.0011791200000000, 0.0003949000000000, 0.0015993100000000 ] - [ -0.0000658300000000, 0.0006820600000000, -0.0009364900000000 ] - [ 0.0001213100000000, 0.0000388300000000, 0.0000765900000000 ] - [ 0.0001567900000000, 0.0001502000000000, -0.0013162400000000 ] - [ 0.0023093500000000, 0.0034673000000000, -0.0062572800000000 ] - [ -0.0029728000000000, 0.0034598200000000, 0.0030568600000000 ] - [ -0.0076150900000000, 0.0007943200000000, -0.0035459700000000 ] - [ 0.0009610700000000, 0.0047996300000000, 0.0037297900000000 ] - [ 0.0000823800000000, -0.0004055500000000, 0.0002895600000000 ] - [ -0.0006650200000000, 0.0006325800000000, -0.0006424500000000 ] - [ -0.0000280000000000, -0.0009100300000000, -0.0011710600000000 ] - [ -0.0000547300000000, 0.0010853400000000, 0.0004749100000000 ] - [ -0.0003551200000000, -0.0044329000000000, -0.0001918100000000 ] - [ -0.0002996100000000, 0.0028080500000000, -0.0010708800000000 ] - [ 0.0004874800000000, -0.0020889500000000, 0.0006349500000000 ] - [ -0.0001530600000000, 0.0024704300000000, 0.0008580600000000 ] - [ -0.0000485500000000, -0.0008312400000000, 0.0001134300000000 ] - [ 0.0001673100000000, 0.0008337600000000, 0.0001539400000000 ] - [ 0.0018582900000000, -0.0059155200000000, 0.0014989900000000 ] - [ -0.0002339200000000, 0.0031348000000000, -0.0008051500000000 ] - [ 0.0001661100000000, -0.0002536800000000, -0.0002633400000000 ] - [ 0.0002299400000000, 0.0002492600000000, -0.0003152100000000 ] - [ 0.0002222400000000, -0.0002412500000000, -0.0010561000000000 ] - [ -0.0000479400000000, 0.0000086900000000, 0.0002057600000000 ] - [ 0.0000854400000000, 0.0004501200000000, -0.0004421900000000 ] - [ 0.0001824000000000, -0.0001664200000000, 0.0013251500000000 ] - [ 0.0002452900000000, 0.0064768700000000, 0.0004804000000000 ] - [ -0.0002455400000000, -0.0004308400000000, 0.0005695800000000 ]- atom: 55 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0125581800000000, -0.0056030200000000, 0.0005191400000000 ] - [ 0.0040970400000000, 0.0064137200000000, 0.0014809000000000 ] - [ 0.0019687400000000, -0.0015161000000000, -0.0019559700000000 ] - [ -0.0000032100000000, 0.0011810800000000, 0.0010342100000000 ] - [ 0.0001037000000000, -0.0003953300000000, -0.0007591500000000 ] - [ 0.0002576400000000, 0.0008101600000000, 0.0000266800000000 ] - [ -0.0015184500000000, -0.0174723900000000, -0.0090372800000000 ] - [ -0.0004981000000000, 0.0035347300000000, -0.0022567600000000 ] - [ 0.0096429500000000, -0.0013342100000000, 0.0032479800000000 ] - [ -0.0045099000000000, 0.0064361700000000, 0.0004586100000000 ] - [ -0.0013113900000000, -0.0029428300000000, -0.0019139600000000 ] - [ -0.0001366800000000, 0.0015155500000000, 0.0019523600000000 ] - [ -0.0001345300000000, -0.0001457500000000, -0.0006347300000000 ] - [ -0.0002762100000000, 0.0007255400000000, -0.0002997600000000 ] - [ -0.0003156500000000, -0.0038753100000000, 0.0005612500000000 ] - [ 0.0005386100000000, 0.0037485100000000, -0.0020659900000000 ] - [ -0.0000656900000000, -0.0010388900000000, -0.0040908200000000 ] - [ 0.0004762600000000, 0.0023922600000000, 0.0013444600000000 ] - [ 0.0004274800000000, -0.0017597900000000, 0.0000440700000000 ] - [ -0.0002692500000000, 0.0011731400000000, -0.0004553200000000 ] - [ -0.0059365300000000, -0.0429943700000000, 0.0307551900000000 ] - [ -0.0001031100000000, 0.0113802000000000, 0.0038833500000000 ] - [ -0.0001716800000000, -0.0017136800000000, 0.0018884900000000 ] - [ -0.0009648900000000, 0.0064051400000000, -0.0021406900000000 ] - [ -0.0006487900000000, -0.0020082600000000, -0.0000071500000000 ] - [ 0.0001815300000000, 0.0014910700000000, -0.0003811000000000 ] - [ 0.0010978900000000, -0.0031641800000000, -0.0060034500000000 ] - [ -0.0006293600000000, 0.0033638900000000, 0.0016091000000000 ] - [ 0.0003796700000000, -0.0015007600000000, 0.0010963300000000 ] - [ 0.0003162600000000, 0.0019335300000000, 0.0001187700000000 ] - [ 0.0002969500000000, -0.0043940600000000, 0.0026294100000000 ] - [ 0.0009127800000000, 0.0055190200000000, 0.0026646800000000 ] - [ 0.0010465700000000, 0.0039996900000000, 0.0027573700000000 ] - [ -0.0002091100000000, -0.0026112500000000, -0.0000594200000000 ] - [ 0.0000227800000000, 0.0011248300000000, 0.0012131200000000 ] - [ 0.0000354100000000, -0.0007028800000000, -0.0006200000000000 ] - [ -0.0086695000000000, 0.0080387800000000, -0.0000525400000000 ] - [ 0.0006611800000000, -0.0028954300000000, 0.0000735400000000 ] - [ -0.0001997600000000, 0.0010670700000000, -0.0000429600000000 ] - [ -0.0009045500000000, -0.0010161700000000, 0.0004433100000000 ] - [ 0.0008410600000000, -0.0011104400000000, 0.0033036200000000 ] - [ -0.0025489900000000, -0.0019174600000000, -0.0018286000000000 ] - [ -0.0000565700000000, 0.0000682800000000, -0.0001760000000000 ] - [ -0.0002442200000000, -0.0000578900000000, -0.0000504700000000 ] - [ -0.0008700100000000, -0.0000942000000000, -0.0012249100000000 ] - [ 0.0000083000000000, -0.0004690100000000, 0.0013736600000000 ] - [ 0.0040165300000000, -0.0203355500000000, -0.0090915200000000 ] - [ -0.0028191000000000, -0.0152584900000000, 0.0018430300000000 ] - [ -0.0011720400000000, -0.0058044900000000, 0.0135647600000000 ] - [ 0.0001771300000000, -0.0000269000000000, -0.0021188600000000 ] - [ -0.0000878400000000, 0.0007015900000000, 0.0006323800000000 ] - [ -0.0000674700000000, -0.0005309800000000, -0.0000418700000000 ] - [ -0.0000027800000000, 0.0023783900000000, 0.0014012600000000 ] - [ -0.0001364300000000, -0.0013642900000000, 0.0000001100000000 ] - [ 0.0109278700000000, 0.0884339200000000, -0.0329052400000000 ] - [ -0.0001465000000000, -0.0040540700000000, 0.0011572300000000 ] - [ -0.0001559000000000, 0.0011878500000000, -0.0000585700000000 ] - [ 0.0002245700000000, -0.0013002500000000, 0.0005523500000000 ] - [ 0.0011405700000000, 0.0059474200000000, -0.0034441700000000 ] - [ 0.0003696100000000, -0.0044364200000000, -0.0022462700000000 ] - [ 0.0010021000000000, -0.0002249100000000, -0.0010931900000000 ] - [ -0.0001099600000000, -0.0005222300000000, 0.0014367200000000 ] - [ 0.0000469100000000, -0.0000646200000000, -0.0001491300000000 ] - [ 0.0000101600000000, -0.0001674200000000, 0.0012469700000000 ] - [ -0.0024370300000000, -0.0033631700000000, 0.0063228200000000 ] - [ 0.0028304100000000, -0.0033705700000000, -0.0029505500000000 ] - [ 0.0079881600000000, -0.0010568900000000, 0.0039043200000000 ] - [ -0.0006038300000000, -0.0050734000000000, -0.0033629000000000 ] - [ -0.0000191600000000, 0.0003886300000000, -0.0004108300000000 ] - [ 0.0007328000000000, -0.0006382900000000, 0.0005195100000000 ] - [ -0.0000079100000000, 0.0012056000000000, 0.0012006000000000 ] - [ 0.0000187500000000, -0.0007851600000000, -0.0004505000000000 ] - [ 0.0004860700000000, 0.0042026000000000, 0.0001685900000000 ] - [ 0.0004632000000000, -0.0030129800000000, 0.0009987900000000 ] - [ -0.0005740900000000, 0.0023591000000000, -0.0011292900000000 ] - [ 0.0000636500000000, -0.0021784600000000, -0.0013459700000000 ] - [ 0.0002061200000000, 0.0009905300000000, 0.0001601500000000 ] - [ -0.0000080200000000, -0.0006720200000000, 0.0001209300000000 ] - [ -0.0017218000000000, 0.0059100600000000, -0.0018758600000000 ] - [ 0.0003745500000000, -0.0031091000000000, 0.0004302500000000 ] - [ 0.0003360500000000, 0.0002957700000000, -0.0001060300000000 ] - [ 0.0002731400000000, -0.0002110200000000, -0.0000552600000000 ] - [ -0.0002633200000000, 0.0002535200000000, 0.0009484400000000 ] - [ 0.0000033200000000, 0.0000222700000000, -0.0003078100000000 ] - [ -0.0001687800000000, -0.0001710900000000, 0.0005480900000000 ] - [ -0.0002686500000000, 0.0004304600000000, -0.0012012200000000 ] - [ -0.0004649700000000, -0.0067345200000000, -0.0005793500000000 ] - [ -0.0000145300000000, 0.0001708900000000, -0.0006555100000000 ]- atom: 55 displacement: [ -0.0014701282124378, 0.0000000000000000, 0.0098913458659069 ] forces: - [ -0.0019610300000000, -0.0021503900000000, 0.0175437800000000 ] - [ 0.0040111300000000, 0.0022278400000000, 0.0063312100000000 ] - [ 0.0027638700000000, -0.0004277600000000, -0.0062044400000000 ] - [ 0.0006395900000000, 0.0004022900000000, -0.0019755000000000 ] - [ 0.0001584300000000, 0.0012670800000000, -0.0048593700000000 ] - [ 0.0002484400000000, -0.0012121100000000, -0.0033562000000000 ] - [ 0.0001110600000000, -0.0001903900000000, 0.0125805900000000 ] - [ -0.0006072100000000, 0.0017409800000000, 0.0017296600000000 ] - [ -0.0010214100000000, 0.0002051100000000, 0.0147493600000000 ] - [ -0.0040248600000000, 0.0026151500000000, 0.0065039200000000 ] - [ -0.0034386200000000, -0.0002136100000000, -0.0053554500000000 ] - [ -0.0007509300000000, 0.0000891400000000, -0.0009540900000000 ] - [ -0.0002671400000000, 0.0003125900000000, -0.0043057400000000 ] - [ -0.0003262700000000, -0.0000694800000000, -0.0036154400000000 ] - [ 0.0021832100000000, -0.0038785600000000, 0.0058502000000000 ] - [ 0.0008172800000000, 0.0018235400000000, 0.0028279900000000 ] - [ -0.0026499400000000, 0.0064113200000000, -0.0038031000000000 ] - [ -0.0005645200000000, -0.0039176400000000, -0.0013170700000000 ] - [ -0.0009954000000000, 0.0007074400000000, -0.0062631900000000 ] - [ -0.0005114700000000, 0.0003513100000000, -0.0033686900000000 ] - [ -0.0114311200000000, -0.0298648500000000, 0.0691920900000000 ] - [ -0.0001076200000000, -0.0002511200000000, 0.0017001900000000 ] - [ 0.0021910500000000, -0.0059443500000000, -0.0077115500000000 ] - [ -0.0006135800000000, 0.0072095100000000, -0.0051667500000000 ] - [ 0.0008609400000000, 0.0005884100000000, -0.0073520200000000 ] - [ 0.0004921000000000, 0.0006222100000000, -0.0034342200000000 ] - [ 0.0031696100000000, 0.0095528300000000, -0.0056249700000000 ] - [ 0.0005876500000000, -0.0037989000000000, -0.0016457700000000 ] - [ 0.0001272000000000, -0.0019373600000000, -0.0029174000000000 ] - [ -0.0000606700000000, 0.0019193700000000, -0.0026267200000000 ] - [ 0.0042129300000000, 0.0007375500000000, 0.0048765600000000 ] - [ -0.0000179600000000, 0.0005631900000000, 0.0016740600000000 ] - [ 0.0102215500000000, -0.0036881500000000, 0.0024598600000000 ] - [ 0.0000871900000000, -0.0000055000000000, -0.0021068100000000 ] - [ 0.0008139400000000, 0.0004041300000000, 0.0026592900000000 ] - [ 0.0004998300000000, 0.0010730800000000, 0.0016745000000000 ] - [ -0.0211525600000000, 0.0016560100000000, 0.0039757600000000 ] - [ -0.0005655100000000, -0.0000512700000000, -0.0005176300000000 ] - [ -0.0016678200000000, 0.0004869300000000, 0.0015809500000000 ] - [ -0.0012420400000000, -0.0010530500000000, 0.0012600800000000 ] - [ 0.0004796100000000, -0.0014889600000000, -0.0023226800000000 ] - [ 0.0040024800000000, 0.0060543400000000, -0.0023775400000000 ] - [ 0.0001336600000000, 0.0005826900000000, 0.0021953500000000 ] - [ -0.0003356100000000, 0.0005967200000000, 0.0027834000000000 ] - [ 0.0029191000000000, 0.0015305400000000, 0.0056646300000000 ] - [ 0.0003304600000000, -0.0021391400000000, 0.0024139300000000 ] - [ -0.0006800600000000, 0.0048731600000000, -0.0023699300000000 ] - [ -0.0020407900000000, -0.0179761300000000, -0.0106500000000000 ] - [ -0.0017239800000000, -0.0070674800000000, 0.0180603100000000 ] - [ -0.0003777700000000, 0.0016363100000000, -0.0000358900000000 ] - [ -0.0000814600000000, 0.0004490300000000, 0.0030948500000000 ] - [ -0.0000911900000000, 0.0003265900000000, 0.0015564000000000 ] - [ 0.0007664900000000, -0.0062154100000000, 0.0061480700000000 ] - [ -0.0000422700000000, 0.0007693900000000, 0.0003506000000000 ] - [ 0.0220013000000000, 0.0351402500000000, -0.1422298400000000 ] - [ 0.0002017800000000, -0.0012131400000000, -0.0027809600000000 ] - [ 0.0001041900000000, -0.0003970800000000, 0.0043590200000000 ] - [ 0.0002016100000000, -0.0013821200000000, 0.0027467200000000 ] - [ 0.0019456800000000, 0.0086875300000000, 0.0151194500000000 ] - [ 0.0009104500000000, -0.0015164100000000, -0.0003148100000000 ] - [ -0.0031152000000000, 0.0015323400000000, 0.0066586900000000 ] - [ -0.0003161500000000, -0.0024668400000000, 0.0029358900000000 ] - [ -0.0002985600000000, 0.0006886500000000, 0.0029592300000000 ] - [ 0.0000867300000000, 0.0003751500000000, 0.0043802900000000 ] - [ -0.0016002500000000, -0.0033576400000000, -0.0028368700000000 ] - [ -0.0033308400000000, 0.0066047400000000, -0.0031155200000000 ] - [ 0.0095495600000000, -0.0046669100000000, 0.0021682000000000 ] - [ 0.0007383200000000, -0.0005596200000000, -0.0005400600000000 ] - [ 0.0009620300000000, 0.0006456800000000, 0.0018133500000000 ] - [ 0.0009476100000000, -0.0013995400000000, 0.0021880500000000 ] - [ -0.0007211400000000, 0.0001519600000000, 0.0035026800000000 ] - [ -0.0005207600000000, 0.0010621600000000, 0.0017763300000000 ] - [ -0.0109567500000000, -0.0030071600000000, 0.0071032200000000 ] - [ -0.0001497700000000, 0.0004287000000000, -0.0004502300000000 ] - [ 0.0006676600000000, 0.0019497400000000, 0.0007413300000000 ] - [ 0.0002208600000000, -0.0004711200000000, -0.0004170300000000 ] - [ 0.0004770900000000, -0.0000537700000000, 0.0031105200000000 ] - [ 0.0001613100000000, -0.0007499700000000, 0.0021267700000000 ] - [ -0.0018897300000000, 0.0014172800000000, -0.0065273900000000 ] - [ 0.0001434000000000, -0.0011082700000000, -0.0018763600000000 ] - [ 0.0002800700000000, 0.0005076500000000, 0.0014105100000000 ] - [ 0.0002617800000000, 0.0001798400000000, 0.0008338800000000 ] - [ -0.0005812800000000, -0.0022610100000000, 0.0003414700000000 ] - [ -0.0001376100000000, 0.0007136400000000, 0.0003843200000000 ] - [ -0.0002693600000000, -0.0014349400000000, 0.0020091000000000 ] - [ 0.0000721100000000, 0.0005800100000000, 0.0001211800000000 ] - [ 0.0005893500000000, 0.0001310700000000, -0.0019034200000000 ] - [ -0.0001134100000000, -0.0009950200000000, -0.0049971200000000 ]- atom: 55 displacement: [ 0.0014701282124378, 0.0000000000000000, -0.0098913458659069 ] forces: - [ 0.0017001400000000, 0.0021180200000000, -0.0174505600000000 ] - [ -0.0040266100000000, -0.0023539800000000, -0.0062329500000000 ] - [ -0.0025556800000000, 0.0008737300000000, 0.0064811600000000 ] - [ -0.0004451300000000, 0.0000540400000000, 0.0022631700000000 ] - [ -0.0000402100000000, -0.0013086300000000, 0.0047550600000000 ] - [ -0.0001318900000000, 0.0012050400000000, 0.0032510800000000 ] - [ -0.0003504700000000, -0.0011281300000000, -0.0144342800000000 ] - [ 0.0005283100000000, -0.0021553600000000, -0.0020404100000000 ] - [ 0.0012815500000000, -0.0004438300000000, -0.0144133000000000 ] - [ 0.0040888500000000, -0.0030426800000000, -0.0062271500000000 ] - [ 0.0032978600000000, 0.0001872900000000, 0.0054760400000000 ] - [ 0.0006319400000000, -0.0001078500000000, 0.0010984000000000 ] - [ 0.0000707600000000, 0.0001332500000000, 0.0040395100000000 ] - [ 0.0001327800000000, 0.0005323900000000, 0.0033520800000000 ] - [ -0.0021535200000000, 0.0036939400000000, -0.0060107900000000 ] - [ -0.0007821500000000, -0.0019562700000000, -0.0029773600000000 ] - [ 0.0029970700000000, -0.0064824900000000, 0.0037341500000000 ] - [ 0.0008981700000000, 0.0039173100000000, 0.0012954900000000 ] - [ 0.0008425400000000, -0.0008695300000000, 0.0061965600000000 ] - [ 0.0003463500000000, -0.0004890200000000, 0.0032789900000000 ] - [ 0.0110278000000000, 0.0267360600000000, -0.0654609700000000 ] - [ 0.0002744100000000, -0.0000191000000000, -0.0015001900000000 ] - [ -0.0020635600000000, 0.0060794800000000, 0.0073046700000000 ] - [ 0.0007165300000000, -0.0069892600000000, 0.0047632400000000 ] - [ -0.0009850700000000, -0.0004288300000000, 0.0077866300000000 ] - [ -0.0006081700000000, -0.0004464400000000, 0.0038472700000000 ] - [ -0.0033687900000000, -0.0099918700000000, 0.0054290100000000 ] - [ -0.0007742700000000, 0.0034790300000000, 0.0014743100000000 ] - [ 0.0000410600000000, 0.0017856500000000, 0.0030382100000000 ] - [ 0.0002304600000000, -0.0020500100000000, 0.0027388500000000 ] - [ -0.0045009500000000, -0.0008219600000000, -0.0048071000000000 ] - [ -0.0002861300000000, -0.0005522100000000, -0.0016210900000000 ] - [ -0.0100146900000000, 0.0034412000000000, -0.0023043300000000 ] - [ 0.0001673600000000, -0.0002934300000000, 0.0022022100000000 ] - [ -0.0007320200000000, -0.0001238900000000, -0.0027672300000000 ] - [ -0.0004149500000000, -0.0008130700000000, -0.0017930500000000 ] - [ 0.0210144100000000, -0.0016010400000000, -0.0039006700000000 ] - [ 0.0006143400000000, 0.0000514700000000, 0.0006199400000000 ] - [ 0.0011563300000000, -0.0004423900000000, -0.0012163500000000 ] - [ 0.0007346000000000, 0.0010870000000000, -0.0008916100000000 ] - [ -0.0006222500000000, 0.0015003600000000, 0.0027421900000000 ] - [ -0.0041923300000000, -0.0060602200000000, 0.0027757000000000 ] - [ -0.0002937800000000, -0.0004217900000000, -0.0024750000000000 ] - [ 0.0001763000000000, -0.0004433300000000, -0.0030674200000000 ] - [ -0.0028626700000000, -0.0012662300000000, -0.0052175700000000 ] - [ -0.0002445600000000, 0.0024237800000000, -0.0019100700000000 ] - [ 0.0005398200000000, -0.0052162900000000, 0.0023626400000000 ] - [ 0.0018750500000000, 0.0176414600000000, 0.0105573600000000 ] - [ 0.0017495200000000, 0.0073447600000000, -0.0179614400000000 ] - [ 0.0004153700000000, -0.0013252600000000, -0.0000149000000000 ] - [ 0.0000157200000000, -0.0004567400000000, -0.0029776600000000 ] - [ 0.0000258200000000, -0.0003426100000000, -0.0014371500000000 ] - [ -0.0011289500000000, 0.0059965600000000, -0.0065520700000000 ] - [ -0.0003057600000000, -0.0010752600000000, -0.0007037700000000 ] - [ -0.0210248700000000, -0.0315113300000000, 0.1401422100000000 ] - [ -0.0000531200000000, 0.0012725100000000, 0.0026819700000000 ] - [ -0.0002688200000000, 0.0003793400000000, -0.0042862800000000 ] - [ -0.0003663700000000, 0.0013522500000000, -0.0026768800000000 ] - [ -0.0017360600000000, -0.0084382600000000, -0.0154915500000000 ] - [ -0.0007315000000000, 0.0016486400000000, -0.0002130500000000 ] - [ 0.0029716400000000, -0.0013814600000000, -0.0062032000000000 ] - [ 0.0001422900000000, 0.0026400000000000, -0.0024325400000000 ] - [ 0.0004670600000000, -0.0007068100000000, -0.0030381800000000 ] - [ 0.0000804100000000, -0.0004041700000000, -0.0044602500000000 ] - [ 0.0014472600000000, 0.0034372300000000, 0.0030311400000000 ] - [ 0.0032121300000000, -0.0065365600000000, 0.0032721900000000 ] - [ -0.0091422600000000, 0.0043797100000000, -0.0018487000000000 ] - [ -0.0003930400000000, 0.0002210700000000, 0.0008531700000000 ] - [ -0.0008916800000000, -0.0006489600000000, -0.0019445500000000 ] - [ -0.0008788200000000, 0.0013833400000000, -0.0023166200000000 ] - [ 0.0006891500000000, 0.0001604400000000, -0.0034763000000000 ] - [ 0.0004866500000000, -0.0007701000000000, -0.0017514200000000 ] - [ 0.0112435100000000, 0.0028251200000000, -0.0072108400000000 ] - [ 0.0003185300000000, -0.0006640700000000, 0.0003952600000000 ] - [ -0.0007622300000000, -0.0016607300000000, -0.0012614000000000 ] - [ -0.0003121200000000, 0.0007328900000000, -0.0000950700000000 ] - [ -0.0003193500000000, 0.0002229200000000, -0.0028509800000000 ] - [ -0.0000040900000000, 0.0009069000000000, -0.0018632900000000 ] - [ 0.0019840900000000, -0.0013451000000000, 0.0061416800000000 ] - [ -0.0000007800000000, 0.0011078100000000, 0.0015158600000000 ] - [ 0.0002240000000000, -0.0004704900000000, -0.0017868200000000 ] - [ 0.0002421800000000, -0.0001404100000000, -0.0012061500000000 ] - [ 0.0005394300000000, 0.0022996700000000, -0.0004337700000000 ] - [ 0.0000885100000000, -0.0006904800000000, -0.0004837000000000 ] - [ 0.0001764100000000, 0.0017072300000000, -0.0019080400000000 ] - [ -0.0001628900000000, -0.0003049300000000, -0.0000248500000000 ] - [ -0.0008245400000000, -0.0004931000000000, 0.0018141500000000 ] - [ -0.0001473600000000, 0.0007270700000000, 0.0049193200000000 ]- atom: 57 displacement: [ 0.0099999999959232, 0.0000000000000000, 0.0000002855446085 ] forces: - [ -0.0003447600000000, -0.0001671400000000, -0.0003709600000000 ] - [ -0.0002316100000000, 0.0000640900000000, -0.0000108500000000 ] - [ -0.0126548800000000, -0.0111421000000000, -0.0064700500000000 ] - [ -0.0016203600000000, 0.0016057800000000, 0.0007609800000000 ] - [ -0.0037930200000000, 0.0035294200000000, 0.0042633900000000 ] - [ -0.0009645500000000, -0.0013432700000000, 0.0004799900000000 ] - [ -0.0002820600000000, -0.0000173200000000, 0.0002896500000000 ] - [ -0.0002004000000000, -0.0003352800000000, -0.0001676000000000 ] - [ 0.0006846700000000, -0.0003146000000000, 0.0001250000000000 ] - [ 0.0002924100000000, 0.0006425700000000, 0.0006551300000000 ] - [ 0.0168539600000000, -0.0042631800000000, -0.0035793300000000 ] - [ 0.0015110200000000, -0.0012314900000000, 0.0012410900000000 ] - [ 0.0093460300000000, -0.0030512700000000, -0.0016946000000000 ] - [ 0.0007992800000000, 0.0010033200000000, -0.0001926900000000 ] - [ 0.0001054800000000, -0.0000343000000000, 0.0000768700000000 ] - [ 0.0001384200000000, -0.0002161000000000, -0.0001746300000000 ] - [ -0.0004537100000000, -0.0003745300000000, -0.0012183400000000 ] - [ -0.0002028800000000, -0.0000054900000000, -0.0001853100000000 ] - [ -0.0095047400000000, 0.0018788000000000, -0.0026356000000000 ] - [ -0.0022930700000000, -0.0008735900000000, -0.0003923400000000 ] - [ 0.0018495700000000, -0.0014868600000000, -0.0014812600000000 ] - [ 0.0005944100000000, 0.0006416200000000, -0.0016361600000000 ] - [ 0.0188496800000000, 0.0013657700000000, 0.0021962600000000 ] - [ 0.0023130700000000, -0.0011722800000000, -0.0007564000000000 ] - [ 0.0113187400000000, -0.0024984400000000, 0.0056130300000000 ] - [ 0.0026301500000000, 0.0010353200000000, 0.0012071400000000 ] - [ 0.0003694600000000, 0.0000696000000000, 0.0000410500000000 ] - [ 0.0005832500000000, -0.0009833800000000, 0.0006487200000000 ] - [ -0.0128488600000000, -0.0019394700000000, 0.0034460300000000 ] - [ -0.0018057400000000, 0.0000039100000000, -0.0000580600000000 ] - [ -0.0024170300000000, -0.0000039000000000, 0.0006463100000000 ] - [ -0.0005218900000000, 0.0000187400000000, 0.0002159200000000 ] - [ 0.0002534700000000, -0.0002305900000000, 0.0002538500000000 ] - [ 0.0002143400000000, -0.0001095400000000, 0.0000374700000000 ] - [ 0.0031640000000000, -0.0014504300000000, 0.0019272700000000 ] - [ 0.0005277900000000, 0.0005248100000000, 0.0001069400000000 ] - [ 0.0004708700000000, 0.0004104600000000, 0.0005898800000000 ] - [ 0.0004378100000000, -0.0001461600000000, 0.0002981100000000 ] - [ 0.0171827600000000, -0.0075884800000000, 0.0080955100000000 ] - [ 0.0002502700000000, -0.0001583100000000, 0.0004503300000000 ] - [ 0.0000710300000000, 0.0002131200000000, 0.0004740000000000 ] - [ 0.0000320000000000, 0.0000140400000000, 0.0001932500000000 ] - [ 0.0019160400000000, 0.0004870700000000, -0.0005341200000000 ] - [ 0.0019501300000000, 0.0005114500000000, -0.0006752000000000 ] - [ 0.0013690700000000, -0.0002200700000000, 0.0005803900000000 ] - [ 0.0005859700000000, -0.0000407500000000, 0.0003759300000000 ] - [ -0.0001398300000000, 0.0000377700000000, 0.0003632300000000 ] - [ -0.0004852400000000, 0.0000556300000000, 0.0002559600000000 ] - [ -0.0030831900000000, 0.0028135600000000, 0.0026450300000000 ] - [ 0.0016127000000000, -0.0067073400000000, 0.0010398100000000 ] - [ 0.0125932500000000, 0.0031841400000000, -0.0076012900000000 ] - [ 0.0004686000000000, 0.0000873900000000, -0.0003286800000000 ] - [ 0.0000567400000000, -0.0002678700000000, -0.0004422700000000 ] - [ 0.0000437700000000, 0.0001171400000000, -0.0003881100000000 ] - [ -0.0000427400000000, 0.0001171800000000, 0.0001136600000000 ] - [ -0.0000608600000000, -0.0002684600000000, 0.0002111100000000 ] - [ -0.0721353500000000, 0.0143421400000000, 0.0035174800000000 ] - [ -0.0011336900000000, -0.0000595000000000, -0.0001526800000000 ] - [ -0.0048070900000000, 0.0037851100000000, 0.0022718200000000 ] - [ -0.0006318500000000, -0.0000282800000000, -0.0001868100000000 ] - [ 0.0013316300000000, 0.0023027800000000, -0.0021986500000000 ] - [ -0.0002803300000000, -0.0000499000000000, -0.0001062300000000 ] - [ -0.0010950100000000, -0.0058212400000000, -0.0023455100000000 ] - [ -0.0010934900000000, 0.0048609700000000, -0.0012677600000000 ] - [ -0.0001640600000000, -0.0000334200000000, 0.0000464800000000 ] - [ -0.0002004400000000, 0.0000052700000000, -0.0003501500000000 ] - [ -0.0007830100000000, -0.0011184300000000, -0.0047516900000000 ] - [ -0.0002332900000000, -0.0000941500000000, -0.0000493700000000 ] - [ 0.0040509200000000, 0.0108050600000000, -0.0066399400000000 ] - [ -0.0005444500000000, -0.0033593300000000, 0.0007870000000000 ] - [ -0.0050322200000000, -0.0020778500000000, -0.0015948300000000 ] - [ -0.0006398500000000, 0.0002199100000000, 0.0000365800000000 ] - [ -0.0000699700000000, -0.0001571500000000, -0.0001690300000000 ] - [ -0.0000180900000000, 0.0001122800000000, -0.0001277800000000 ] - [ 0.0018624200000000, 0.0018490100000000, -0.0015724200000000 ] - [ 0.0002386500000000, 0.0001111800000000, -0.0004426000000000 ] - [ 0.0144119300000000, 0.0009349900000000, -0.0004771100000000 ] - [ 0.0006439300000000, 0.0001483100000000, 0.0000347300000000 ] - [ 0.0002366400000000, 0.0001426500000000, -0.0004935800000000 ] - [ 0.0001942900000000, -0.0000740200000000, -0.0002045200000000 ] - [ 0.0025338100000000, -0.0045252200000000, 0.0051401900000000 ] - [ -0.0010683800000000, 0.0053734000000000, 0.0002499100000000 ] - [ -0.0003147000000000, -0.0000373300000000, 0.0003735600000000 ] - [ -0.0002624300000000, -0.0001350700000000, 0.0001079200000000 ] - [ 0.0059457000000000, 0.0004315300000000, 0.0023391500000000 ] - [ 0.0015247800000000, 0.0008225000000000, -0.0003532300000000 ] - [ -0.0001050800000000, -0.0001204400000000, -0.0000536900000000 ] - [ 0.0001493000000000, -0.0003464900000000, -0.0002916600000000 ]- atom: 57 displacement: [ -0.0099999999959232, 0.0000000000000000, -0.0000002855446085 ] forces: - [ 0.0003028100000000, 0.0000033400000000, 0.0004859500000000 ] - [ 0.0001932500000000, -0.0002178000000000, 0.0001246100000000 ] - [ 0.0126486800000000, 0.0115678900000000, 0.0067425300000000 ] - [ 0.0017810700000000, -0.0011475400000000, -0.0004825500000000 ] - [ 0.0038873600000000, -0.0035917700000000, -0.0044088300000000 ] - [ 0.0010652500000000, 0.0013225400000000, -0.0006052800000000 ] - [ 0.0001974100000000, -0.0004163100000000, -0.0005685400000000 ] - [ 0.0001188700000000, -0.0001004200000000, -0.0001159100000000 ] - [ -0.0005915600000000, -0.0001218800000000, 0.0001524200000000 ] - [ -0.0002085200000000, -0.0010665400000000, -0.0003659700000000 ] - [ -0.0164569600000000, 0.0037820500000000, 0.0031898400000000 ] - [ -0.0016020700000000, 0.0012181900000000, -0.0011180100000000 ] - [ -0.0091832400000000, 0.0037782500000000, 0.0017261600000000 ] - [ -0.0009810000000000, -0.0005517000000000, -0.0000847300000000 ] - [ -0.0000662200000000, -0.0001242600000000, -0.0001834400000000 ] - [ -0.0000994900000000, 0.0000573700000000, 0.0000622000000000 ] - [ 0.0007679000000000, 0.0003282700000000, 0.0011882000000000 ] - [ 0.0005188100000000, -0.0000315200000000, 0.0001607000000000 ] - [ 0.0093754900000000, -0.0019842600000000, 0.0024958400000000 ] - [ 0.0021174400000000, 0.0007228500000000, 0.0002958900000000 ] - [ -0.0016776500000000, 0.0010947000000000, 0.0016297200000000 ] - [ -0.0004199700000000, -0.0009847700000000, 0.0017635500000000 ] - [ -0.0186945500000000, -0.0010742100000000, -0.0026186400000000 ] - [ -0.0021911800000000, 0.0013525300000000, 0.0003449900000000 ] - [ -0.0115090400000000, 0.0025689400000000, -0.0051188700000000 ] - [ -0.0027255200000000, -0.0008425700000000, -0.0007820900000000 ] - [ -0.0005395700000000, -0.0004163200000000, -0.0001841300000000 ] - [ -0.0007456800000000, 0.0006078100000000, -0.0008006600000000 ] - [ 0.0130643600000000, 0.0017169100000000, -0.0033212400000000 ] - [ 0.0019666500000000, -0.0001139800000000, 0.0001507000000000 ] - [ 0.0020885500000000, -0.0000430500000000, -0.0005958900000000 ] - [ 0.0002064800000000, -0.0000621500000000, -0.0001881300000000 ] - [ 0.0000067400000000, -0.0000466500000000, -0.0001689900000000 ] - [ 0.0000450500000000, -0.0001685500000000, 0.0000476100000000 ] - [ -0.0030785000000000, 0.0017322700000000, -0.0020289200000000 ] - [ -0.0004376600000000, -0.0002544600000000, -0.0002190500000000 ] - [ -0.0004148200000000, -0.0003846900000000, -0.0004918500000000 ] - [ -0.0003840000000000, 0.0001665400000000, -0.0001914300000000 ] - [ -0.0178349900000000, 0.0077758100000000, -0.0078753900000000 ] - [ -0.0007440700000000, 0.0001897300000000, -0.0000773400000000 ] - [ -0.0002113500000000, -0.0001888700000000, -0.0001003000000000 ] - [ -0.0001727500000000, 0.0000073500000000, 0.0001790100000000 ] - [ -0.0020711200000000, -0.0003120200000000, 0.0002693900000000 ] - [ -0.0021127500000000, -0.0003703400000000, 0.0004162800000000 ] - [ -0.0012731700000000, 0.0004875100000000, -0.0000681200000000 ] - [ -0.0004927500000000, 0.0003255600000000, 0.0001227500000000 ] - [ -0.0000199900000000, -0.0002489500000000, -0.0002890200000000 ] - [ 0.0003195200000000, -0.0002668100000000, -0.0001874700000000 ] - [ 0.0031404600000000, -0.0025011000000000, -0.0026625300000000 ] - [ -0.0015764000000000, 0.0068783900000000, -0.0010472000000000 ] - [ -0.0127878900000000, -0.0032539900000000, 0.0078687600000000 ] - [ -0.0005254500000000, -0.0001028700000000, 0.0004489300000000 ] - [ -0.0003977100000000, -0.0000189500000000, 0.0000864300000000 ] - [ -0.0003880100000000, -0.0004014200000000, 0.0000298700000000 ] - [ 0.0001943600000000, -0.0000259700000000, -0.0002286000000000 ] - [ 0.0002095400000000, 0.0003479300000000, -0.0003232300000000 ] - [ 0.0713721900000000, -0.0141801700000000, -0.0031649300000000 ] - [ 0.0009612600000000, 0.0000314300000000, 0.0002245700000000 ] - [ 0.0049477500000000, -0.0035905900000000, -0.0026782400000000 ] - [ 0.0008026700000000, 0.0001799100000000, -0.0003129700000000 ] - [ -0.0014923300000000, -0.0020869900000000, 0.0026534800000000 ] - [ 0.0001078700000000, 0.0002132400000000, 0.0006048300000000 ] - [ 0.0012984500000000, 0.0057682500000000, 0.0022464400000000 ] - [ 0.0013000600000000, -0.0048718400000000, 0.0012011400000000 ] - [ 0.0000162500000000, 0.0001130000000000, 0.0000666900000000 ] - [ 0.0000498300000000, 0.0000795500000000, 0.0004609800000000 ] - [ 0.0011169100000000, 0.0008232800000000, 0.0050476600000000 ] - [ 0.0005748500000000, -0.0001951800000000, 0.0004089900000000 ] - [ -0.0040415300000000, -0.0107450900000000, 0.0064880400000000 ] - [ 0.0005983100000000, 0.0033249700000000, -0.0008971200000000 ] - [ 0.0050165000000000, 0.0023429000000000, 0.0015287200000000 ] - [ 0.0006006400000000, 0.0000781200000000, -0.0000102800000000 ] - [ 0.0002326100000000, -0.0000529400000000, 0.0000962600000000 ] - [ 0.0001815500000000, -0.0003196100000000, 0.0000595600000000 ] - [ -0.0019583700000000, -0.0015620000000000, 0.0010577900000000 ] - [ -0.0003322300000000, 0.0001640400000000, -0.0000583300000000 ] - [ -0.0140441600000000, -0.0007638800000000, 0.0007496100000000 ] - [ -0.0004857900000000, 0.0000054200000000, 0.0002378000000000 ] - [ -0.0000946600000000, -0.0001150400000000, 0.0001134600000000 ] - [ -0.0000501800000000, 0.0000942700000000, -0.0001677000000000 ] - [ -0.0020745100000000, 0.0045464400000000, -0.0054937100000000 ] - [ 0.0015565500000000, -0.0052970800000000, -0.0006250700000000 ] - [ 0.0002632600000000, 0.0000608300000000, -0.0004736200000000 ] - [ 0.0002124200000000, 0.0001590500000000, -0.0002118500000000 ] - [ -0.0060676700000000, -0.0001839100000000, -0.0022621300000000 ] - [ -0.0016098300000000, -0.0005260500000000, 0.0004622600000000 ] - [ -0.0001542600000000, -0.0001552800000000, -0.0000325200000000 ] - [ -0.0004049000000000, 0.0000649400000000, 0.0002001500000000 ]- atom: 57 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0005780000000000, 0.0010256800000000, 0.0008138300000000 ] - [ 0.0000199700000000, -0.0013421500000000, 0.0005534200000000 ] - [ -0.0120120000000000, 0.0047049400000000, -0.0058250900000000 ] - [ 0.0035854600000000, -0.0049218800000000, -0.0009929600000000 ] - [ 0.0029215300000000, 0.0038945100000000, -0.0037095400000000 ] - [ -0.0024176600000000, -0.0046936500000000, 0.0011147200000000 ] - [ -0.0004988200000000, 0.0013534000000000, 0.0013949800000000 ] - [ -0.0000764100000000, -0.0012890000000000, 0.0002494000000000 ] - [ -0.0011085700000000, 0.0004419800000000, 0.0020975100000000 ] - [ 0.0000325000000000, -0.0019583600000000, -0.0000067600000000 ] - [ -0.0040065600000000, 0.0148141000000000, -0.0000243500000000 ] - [ -0.0017702000000000, -0.0069296900000000, 0.0007889700000000 ] - [ 0.0001379800000000, 0.0131209100000000, -0.0048467100000000 ] - [ 0.0012750900000000, -0.0058028100000000, 0.0005027900000000 ] - [ 0.0002181800000000, 0.0007551800000000, 0.0005518500000000 ] - [ 0.0001509700000000, -0.0008394400000000, 0.0003006900000000 ] - [ -0.0000183000000000, 0.0007551400000000, -0.0008720000000000 ] - [ -0.0001299700000000, -0.0015740200000000, 0.0011643100000000 ] - [ 0.0023870800000000, 0.0045895200000000, 0.0011681100000000 ] - [ -0.0008971200000000, -0.0036219100000000, -0.0016702100000000 ] - [ 0.0002788700000000, 0.0062680300000000, -0.0015222700000000 ] - [ -0.0005328800000000, -0.0040542500000000, 0.0055271900000000 ] - [ -0.0035341300000000, 0.0248524500000000, -0.0166113000000000 ] - [ 0.0009078300000000, -0.0103646700000000, -0.0035928800000000 ] - [ -0.0064653400000000, 0.0031010500000000, 0.0186674800000000 ] - [ -0.0003693100000000, -0.0078276000000000, -0.0045645600000000 ] - [ -0.0001244500000000, 0.0013230700000000, -0.0006364100000000 ] - [ 0.0008976800000000, -0.0042094700000000, 0.0019477000000000 ] - [ -0.0021884400000000, 0.0056049500000000, 0.0013622100000000 ] - [ 0.0004489000000000, -0.0054892600000000, -0.0004334500000000 ] - [ 0.0007410900000000, 0.0028297600000000, -0.0019719900000000 ] - [ -0.0000139200000000, -0.0018565100000000, 0.0017790800000000 ] - [ 0.0000890200000000, -0.0008330400000000, 0.0000764600000000 ] - [ 0.0002052700000000, 0.0006249700000000, -0.0006020100000000 ] - [ 0.0026872600000000, -0.0046712000000000, 0.0011207000000000 ] - [ -0.0000165100000000, 0.0025352900000000, 0.0001765100000000 ] - [ -0.0003797000000000, -0.0013608200000000, 0.0002132800000000 ] - [ -0.0006158400000000, 0.0011839500000000, -0.0008634200000000 ] - [ -0.0117896600000000, -0.0051855700000000, -0.0008894100000000 ] - [ 0.0002184600000000, 0.0032130700000000, 0.0002288100000000 ] - [ -0.0000763400000000, 0.0000992000000000, 0.0001492000000000 ] - [ -0.0000140400000000, 0.0000434300000000, -0.0003817800000000 ] - [ 0.0003525600000000, 0.0007593400000000, 0.0011623400000000 ] - [ 0.0005164500000000, 0.0008738600000000, -0.0002056800000000 ] - [ 0.0002713700000000, 0.0006548800000000, -0.0009258800000000 ] - [ 0.0000711700000000, 0.0000353100000000, 0.0009165800000000 ] - [ -0.0002274800000000, -0.0004476600000000, -0.0011964200000000 ] - [ 0.0000703900000000, -0.0003038500000000, 0.0006528800000000 ] - [ 0.0017302600000000, 0.0061803200000000, 0.0075533300000000 ] - [ -0.0017153700000000, 0.0184483100000000, -0.0030312700000000 ] - [ 0.0054314300000000, -0.0036039900000000, -0.0024359400000000 ] - [ -0.0009072300000000, 0.0033592900000000, 0.0014406200000000 ] - [ -0.0000761700000000, -0.0009832200000000, 0.0002523300000000 ] - [ 0.0002331500000000, 0.0014090500000000, -0.0011008400000000 ] - [ -0.0001019200000000, -0.0011557200000000, -0.0004786800000000 ] - [ 0.0003463800000000, 0.0013343900000000, -0.0014048200000000 ] - [ 0.0141699700000000, -0.0978032700000000, 0.0226948500000000 ] - [ -0.0001270900000000, 0.0048304000000000, 0.0001967500000000 ] - [ 0.0044556900000000, -0.0123930800000000, -0.0091258100000000 ] - [ -0.0003940900000000, 0.0042197900000000, 0.0008737300000000 ] - [ 0.0032389000000000, 0.0079088900000000, -0.0073921200000000 ] - [ -0.0004002200000000, -0.0005514700000000, 0.0018497800000000 ] - [ -0.0048148300000000, 0.0139616500000000, 0.0064614200000000 ] - [ 0.0058365900000000, 0.0138073200000000, -0.0035239700000000 ] - [ -0.0000792000000000, 0.0001961900000000, -0.0003404200000000 ] - [ -0.0001691600000000, 0.0000965500000000, -0.0006618800000000 ] - [ 0.0010677900000000, -0.0000768400000000, 0.0043586600000000 ] - [ 0.0008919400000000, 0.0005171200000000, -0.0011642100000000 ] - [ 0.0146011800000000, 0.0127821600000000, -0.0050410900000000 ] - [ -0.0008847800000000, 0.0036158300000000, 0.0002495600000000 ] - [ -0.0022415100000000, -0.0072007600000000, 0.0040819900000000 ] - [ 0.0000101200000000, 0.0043576100000000, 0.0002306100000000 ] - [ 0.0000896200000000, -0.0013516700000000, 0.0000706200000000 ] - [ -0.0000269900000000, 0.0016616700000000, -0.0006009000000000 ] - [ -0.0012106900000000, -0.0046488100000000, -0.0011934200000000 ] - [ 0.0005594600000000, 0.0024627100000000, 0.0004994000000000 ] - [ -0.0011312800000000, -0.0062372200000000, 0.0003345400000000 ] - [ 0.0001023800000000, 0.0028627200000000, 0.0001911100000000 ] - [ 0.0002311200000000, -0.0010018000000000, 0.0000773300000000 ] - [ -0.0001474700000000, 0.0008533500000000, -0.0008560800000000 ] - [ -0.0078260900000000, 0.0044494100000000, -0.0066135500000000 ] - [ 0.0009918300000000, 0.0039929800000000, 0.0009048800000000 ] - [ -0.0000622300000000, -0.0002261300000000, 0.0003226400000000 ] - [ -0.0004303700000000, 0.0004941800000000, -0.0007906900000000 ] - [ -0.0009384300000000, 0.0026961500000000, 0.0026165800000000 ] - [ 0.0002859600000000, 0.0011191900000000, -0.0013546400000000 ] - [ 0.0000077000000000, -0.0002735400000000, -0.0005535000000000 ] - [ -0.0003758000000000, 0.0000091200000000, 0.0000672300000000 ]- atom: 57 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0006109200000000, -0.0011782200000000, -0.0006958700000000 ] - [ -0.0000533700000000, 0.0011803600000000, -0.0004354900000000 ] - [ 0.0120794200000000, -0.0043896300000000, 0.0060546200000000 ] - [ -0.0033749100000000, 0.0053712900000000, 0.0012607100000000 ] - [ -0.0028327900000000, -0.0038630400000000, 0.0036041500000000 ] - [ 0.0025456300000000, 0.0046581800000000, -0.0012498700000000 ] - [ 0.0004180100000000, -0.0017896300000000, -0.0016686600000000 ] - [ -0.0000026800000000, 0.0008586600000000, -0.0005292000000000 ] - [ 0.0011849900000000, -0.0008663100000000, -0.0018103900000000 ] - [ 0.0000433000000000, 0.0015174300000000, 0.0002920200000000 ] - [ 0.0042510300000000, -0.0150201300000000, -0.0002319800000000 ] - [ 0.0016456600000000, 0.0068827800000000, -0.0006676200000000 ] - [ 0.0000377100000000, -0.0122469000000000, 0.0048677500000000 ] - [ -0.0014813900000000, 0.0062556500000000, -0.0007829100000000 ] - [ -0.0001805700000000, -0.0009164500000000, -0.0006620200000000 ] - [ -0.0001149100000000, 0.0006855400000000, -0.0004097000000000 ] - [ 0.0003345900000000, -0.0007913100000000, 0.0008567800000000 ] - [ 0.0004453800000000, 0.0015246700000000, -0.0011832000000000 ] - [ -0.0025730400000000, -0.0047582200000000, -0.0012398600000000 ] - [ 0.0007356300000000, 0.0034826900000000, 0.0015687400000000 ] - [ -0.0001133800000000, -0.0066368700000000, 0.0016854200000000 ] - [ 0.0007018500000000, 0.0036873600000000, -0.0053388400000000 ] - [ 0.0031117800000000, -0.0231616100000000, 0.0145778600000000 ] - [ -0.0007994400000000, 0.0105462600000000, 0.0032042500000000 ] - [ 0.0062589600000000, -0.0031707800000000, -0.0179316600000000 ] - [ 0.0002422300000000, 0.0079909500000000, 0.0049469100000000 ] - [ -0.0000510900000000, -0.0016565700000000, 0.0005009100000000 ] - [ -0.0010642200000000, 0.0038353700000000, -0.0021090300000000 ] - [ 0.0023163900000000, -0.0056832200000000, -0.0012928500000000 ] - [ -0.0002821200000000, 0.0053289000000000, 0.0005264200000000 ] - [ -0.0010575500000000, -0.0028684400000000, 0.0019912900000000 ] - [ -0.0003023400000000, 0.0018124600000000, -0.0017507400000000 ] - [ 0.0001695600000000, 0.0005569500000000, 0.0000055100000000 ] - [ 0.0000521500000000, -0.0009004000000000, 0.0006841200000000 ] - [ -0.0025912200000000, 0.0049209700000000, -0.0012353700000000 ] - [ 0.0001016300000000, -0.0022641700000000, -0.0002876300000000 ] - [ 0.0004233900000000, 0.0013852300000000, -0.0001089300000000 ] - [ 0.0006580900000000, -0.0011563800000000, 0.0009626600000000 ] - [ 0.0112747500000000, 0.0051316700000000, 0.0013066200000000 ] - [ -0.0007290800000000, -0.0031682600000000, 0.0001395500000000 ] - [ -0.0000668600000000, -0.0000793600000000, 0.0002185300000000 ] - [ -0.0001277200000000, -0.0000182700000000, 0.0007515000000000 ] - [ -0.0005064100000000, -0.0006071500000000, -0.0014286800000000 ] - [ -0.0006739000000000, -0.0006980500000000, -0.0000640600000000 ] - [ -0.0001781100000000, -0.0003603300000000, 0.0014162900000000 ] - [ 0.0000219500000000, 0.0002417500000000, -0.0004178300000000 ] - [ 0.0000653200000000, 0.0002271600000000, 0.0012578400000000 ] - [ -0.0002327200000000, 0.0000942700000000, -0.0005878000000000 ] - [ -0.0017155200000000, -0.0058964200000000, -0.0076328500000000 ] - [ 0.0017594100000000, -0.0180466600000000, 0.0030070900000000 ] - [ -0.0054418200000000, 0.0036403800000000, 0.0025238600000000 ] - [ 0.0008351300000000, -0.0033616300000000, -0.0013086300000000 ] - [ -0.0002671700000000, 0.0006937100000000, -0.0006151100000000 ] - [ -0.0005816300000000, -0.0016933400000000, 0.0007475500000000 ] - [ 0.0002524100000000, 0.0012434800000000, 0.0003592100000000 ] - [ -0.0001959900000000, -0.0012438500000000, 0.0012792100000000 ] - [ -0.0143564300000000, 0.0963368400000000, -0.0212420800000000 ] - [ -0.0000360300000000, -0.0048495300000000, -0.0001190900000000 ] - [ -0.0042531600000000, 0.0124425600000000, 0.0086640800000000 ] - [ 0.0005719900000000, -0.0040495100000000, -0.0013802100000000 ] - [ -0.0034135100000000, -0.0077526400000000, 0.0078785400000000 ] - [ 0.0002214900000000, 0.0007029600000000, -0.0013400000000000 ] - [ 0.0049185400000000, -0.0138437400000000, -0.0064699400000000 ] - [ -0.0057544000000000, -0.0139985800000000, 0.0035030900000000 ] - [ -0.0000663900000000, -0.0001214100000000, 0.0004489600000000 ] - [ 0.0000188800000000, -0.0000069300000000, 0.0007764800000000 ] - [ -0.0007171600000000, -0.0002182900000000, -0.0039919100000000 ] - [ -0.0005389300000000, -0.0008052200000000, 0.0015143600000000 ] - [ -0.0143348800000000, -0.0126685700000000, 0.0048466900000000 ] - [ 0.0009557700000000, -0.0036160800000000, -0.0003791800000000 ] - [ 0.0022124700000000, 0.0074654900000000, -0.0041530800000000 ] - [ -0.0000441800000000, -0.0040516900000000, -0.0001990100000000 ] - [ 0.0000736000000000, 0.0011433100000000, -0.0001435100000000 ] - [ 0.0001908400000000, -0.0018719400000000, 0.0005336600000000 ] - [ 0.0011261500000000, 0.0049433100000000, 0.0006976700000000 ] - [ -0.0006482800000000, -0.0021743400000000, -0.0009954500000000 ] - [ 0.0012127000000000, 0.0063844300000000, -0.0000449900000000 ] - [ 0.0000570500000000, -0.0026963800000000, 0.0000836900000000 ] - [ -0.0000888200000000, 0.0010225300000000, -0.0004483400000000 ] - [ 0.0002901900000000, -0.0008294400000000, 0.0004813500000000 ] - [ 0.0083873600000000, -0.0043942400000000, 0.0062938700000000 ] - [ -0.0004767900000000, -0.0039707900000000, -0.0012745900000000 ] - [ 0.0000119900000000, 0.0002459900000000, -0.0004293200000000 ] - [ 0.0003846100000000, -0.0004663900000000, 0.0006876800000000 ] - [ 0.0008491600000000, -0.0024212900000000, -0.0024975900000000 ] - [ -0.0003684800000000, -0.0008551300000000, 0.0014650100000000 ] - [ -0.0002657500000000, -0.0000052000000000, 0.0004647300000000 ] - [ 0.0001169500000000, -0.0002825900000000, -0.0001522300000000 ]- atom: 57 displacement: [ -0.0014701282124378, 0.0000000000000000, 0.0098913458659069 ] forces: - [ -0.0009020600000000, 0.0004343200000000, -0.0034030000000000 ] - [ -0.0006905700000000, -0.0002909700000000, -0.0025529700000000 ] - [ -0.0018585600000000, -0.0027719800000000, 0.0130495100000000 ] - [ -0.0018871100000000, 0.0016097900000000, 0.0057976100000000 ] - [ 0.0057434400000000, -0.0063496100000000, 0.0000841900000000 ] - [ 0.0019565400000000, 0.0033210500000000, 0.0018408600000000 ] - [ 0.0013070300000000, -0.0010221500000000, -0.0051073200000000 ] - [ 0.0004410500000000, -0.0004540900000000, -0.0026478300000000 ] - [ 0.0017895700000000, 0.0017561300000000, -0.0052805300000000 ] - [ 0.0007102800000000, -0.0011184200000000, -0.0026664500000000 ] - [ -0.0040371900000000, 0.0018550100000000, 0.0202137300000000 ] - [ 0.0015855600000000, 0.0027830300000000, 0.0019579100000000 ] - [ -0.0062883800000000, -0.0064305100000000, 0.0133567300000000 ] - [ -0.0009056500000000, 0.0035012700000000, 0.0037894000000000 ] - [ -0.0008024900000000, -0.0000499000000000, -0.0036351600000000 ] - [ -0.0004919500000000, -0.0005165900000000, -0.0026840300000000 ] - [ -0.0001829400000000, -0.0009813000000000, -0.0036393500000000 ] - [ 0.0005878100000000, 0.0013569000000000, -0.0026570200000000 ] - [ -0.0011343400000000, 0.0006914200000000, 0.0034431200000000 ] - [ -0.0013441700000000, -0.0005488200000000, 0.0025422900000000 ] - [ -0.0028178200000000, -0.0052477000000000, -0.0071683900000000 ] - [ 0.0006038800000000, 0.0026587100000000, -0.0056387100000000 ] - [ 0.0014871000000000, -0.0006202600000000, 0.0381901000000000 ] - [ -0.0012986900000000, -0.0015996500000000, 0.0058370800000000 ] - [ 0.0086445800000000, 0.0221442200000000, -0.0065102200000000 ] - [ 0.0007574600000000, -0.0014464600000000, 0.0024047800000000 ] - [ 0.0008542900000000, -0.0046016900000000, -0.0083373400000000 ] - [ -0.0015120100000000, 0.0044388100000000, -0.0043692200000000 ] - [ 0.0016590400000000, 0.0006728000000000, 0.0041180700000000 ] - [ 0.0010975300000000, -0.0015681800000000, 0.0037405100000000 ] - [ 0.0012647500000000, -0.0007923700000000, -0.0035845700000000 ] - [ -0.0001389900000000, 0.0005595200000000, -0.0019291600000000 ] - [ 0.0000206700000000, -0.0003146000000000, 0.0021210500000000 ] - [ 0.0000590600000000, -0.0004629300000000, 0.0017537200000000 ] - [ 0.0017275000000000, -0.0001314300000000, 0.0013555000000000 ] - [ -0.0000453300000000, -0.0003833200000000, -0.0002912000000000 ] - [ 0.0010485400000000, -0.0000905700000000, 0.0013958600000000 ] - [ 0.0008290200000000, -0.0007277600000000, 0.0010616600000000 ] - [ 0.0097550500000000, 0.0001058300000000, -0.0024133500000000 ] - [ -0.0000850000000000, 0.0001391900000000, -0.0012039000000000 ] - [ 0.0000742200000000, 0.0002926800000000, 0.0022441100000000 ] - [ -0.0001653500000000, -0.0001516000000000, 0.0021078900000000 ] - [ 0.0000763000000000, -0.0000839400000000, -0.0040256900000000 ] - [ -0.0000778700000000, -0.0013991800000000, -0.0038645400000000 ] - [ -0.0006241600000000, -0.0011254500000000, 0.0015204700000000 ] - [ -0.0003541600000000, 0.0010709700000000, 0.0002745000000000 ] - [ 0.0003301500000000, -0.0005250100000000, 0.0019997400000000 ] - [ 0.0004240200000000, 0.0022733600000000, 0.0019245400000000 ] - [ 0.0032539400000000, 0.0074317800000000, 0.0014385900000000 ] - [ 0.0021310200000000, -0.0183874400000000, 0.0031478600000000 ] - [ -0.0129138100000000, -0.0024476900000000, 0.0008490100000000 ] - [ -0.0004359000000000, -0.0005283100000000, -0.0018200200000000 ] - [ -0.0013713400000000, 0.0002144300000000, 0.0015422000000000 ] - [ -0.0009765300000000, -0.0016547400000000, 0.0008195500000000 ] - [ 0.0003368500000000, 0.0001238800000000, 0.0042728200000000 ] - [ -0.0000361400000000, -0.0004181100000000, 0.0025966000000000 ] - [ 0.0137023800000000, 0.0193453000000000, -0.1142056600000000 ] - [ -0.0001178700000000, 0.0001482900000000, -0.0035531900000000 ] - [ -0.0020403900000000, 0.0004185900000000, 0.0180212000000000 ] - [ -0.0000327200000000, -0.0018069200000000, -0.0004071900000000 ] - [ -0.0057666600000000, -0.0119533300000000, 0.0121347300000000 ] - [ -0.0003245400000000, 0.0019242500000000, 0.0003860200000000 ] - [ -0.0009476700000000, 0.0042821800000000, -0.0056327600000000 ] - [ -0.0020087300000000, -0.0071087900000000, -0.0058009300000000 ] - [ -0.0003827800000000, 0.0013309200000000, 0.0044416700000000 ] - [ 0.0000455500000000, -0.0000655400000000, 0.0031357600000000 ] - [ -0.0004253800000000, 0.0018275800000000, 0.0042501200000000 ] - [ -0.0006627000000000, -0.0007055100000000, 0.0011266400000000 ] - [ -0.0086535600000000, -0.0090780600000000, -0.0048298700000000 ] - [ 0.0000921300000000, 0.0036850500000000, -0.0036198400000000 ] - [ -0.0017896600000000, 0.0085785400000000, 0.0234160600000000 ] - [ 0.0003701300000000, -0.0008605800000000, -0.0004731600000000 ] - [ 0.0003411600000000, -0.0009382500000000, 0.0025080700000000 ] - [ 0.0002612800000000, -0.0017258800000000, 0.0011409200000000 ] - [ -0.0024313900000000, -0.0010735000000000, 0.0005521500000000 ] - [ -0.0005698200000000, -0.0002874100000000, -0.0004156100000000 ] - [ -0.0008385200000000, 0.0003067600000000, -0.0069829600000000 ] - [ 0.0000321300000000, 0.0003418700000000, -0.0025736200000000 ] - [ -0.0000758600000000, -0.0000661400000000, 0.0021196900000000 ] - [ 0.0000235400000000, 0.0001143900000000, 0.0013603500000000 ] - [ 0.0083277800000000, -0.0076600100000000, 0.0013289800000000 ] - [ 0.0001035300000000, 0.0043625500000000, -0.0007643100000000 ] - [ 0.0009849700000000, 0.0011529200000000, 0.0016293300000000 ] - [ 0.0007325200000000, -0.0002383100000000, 0.0012284300000000 ] - [ -0.0040005200000000, 0.0025314800000000, -0.0005566400000000 ] - [ -0.0004781400000000, -0.0010846400000000, 0.0000909700000000 ] - [ -0.0002787700000000, -0.0003805200000000, 0.0015254200000000 ] - [ -0.0003691900000000, 0.0004903600000000, 0.0020576700000000 ]- atom: 57 displacement: [ 0.0014701282124378, 0.0000000000000000, -0.0098913458659069 ] forces: - [ 0.0008740000000000, -0.0005948600000000, 0.0035120900000000 ] - [ 0.0006580600000000, 0.0001356100000000, 0.0026610800000000 ] - [ 0.0019222900000000, 0.0031259100000000, -0.0128353300000000 ] - [ 0.0020773700000000, -0.0011389600000000, -0.0055363400000000 ] - [ -0.0056056300000000, 0.0062952100000000, -0.0001557300000000 ] - [ -0.0018376600000000, -0.0033352700000000, -0.0019322300000000 ] - [ -0.0013734500000000, 0.0005860000000000, 0.0048169200000000 ] - [ -0.0005142500000000, 0.0000170000000000, 0.0023689700000000 ] - [ -0.0017289300000000, -0.0022045600000000, 0.0055649000000000 ] - [ -0.0006335900000000, 0.0006879300000000, 0.0029399400000000 ] - [ 0.0045708400000000, -0.0024254000000000, -0.0207460800000000 ] - [ -0.0017059000000000, -0.0027834300000000, -0.0018539500000000 ] - [ 0.0062954000000000, 0.0070689800000000, -0.0133494500000000 ] - [ 0.0007180600000000, -0.0030358600000000, -0.0040482000000000 ] - [ 0.0008302300000000, -0.0001051800000000, 0.0035142600000000 ] - [ 0.0005219600000000, 0.0003541300000000, 0.0025673600000000 ] - [ 0.0004964700000000, 0.0009345600000000, 0.0036337400000000 ] - [ -0.0002720200000000, -0.0013945800000000, 0.0026459800000000 ] - [ 0.0009647500000000, -0.0008565100000000, -0.0034972700000000 ] - [ 0.0011814600000000, 0.0004128100000000, -0.0026189100000000 ] - [ 0.0030103700000000, 0.0049439300000000, 0.0073357300000000 ] - [ -0.0004358900000000, -0.0030280700000000, 0.0057885200000000 ] - [ -0.0018235200000000, 0.0020777700000000, -0.0396394400000000 ] - [ 0.0014188800000000, 0.0017630300000000, -0.0062577800000000 ] - [ -0.0088227600000000, -0.0222987800000000, 0.0076485900000000 ] - [ -0.0008720200000000, 0.0016485000000000, -0.0019507300000000 ] - [ -0.0010154100000000, 0.0041962900000000, 0.0081350400000000 ] - [ 0.0013340900000000, -0.0047660000000000, 0.0042023500000000 ] - [ -0.0014953300000000, -0.0007996700000000, -0.0040588200000000 ] - [ -0.0009389300000000, 0.0014238400000000, -0.0036478300000000 ] - [ -0.0015875200000000, 0.0007467500000000, 0.0035831800000000 ] - [ -0.0001768700000000, -0.0006001500000000, 0.0019228800000000 ] - [ 0.0002359900000000, 0.0000402100000000, -0.0020376600000000 ] - [ 0.0001988700000000, 0.0001861600000000, -0.0016688400000000 ] - [ -0.0016492900000000, 0.0004129900000000, -0.0014871700000000 ] - [ 0.0001340400000000, 0.0006455800000000, 0.0001680400000000 ] - [ -0.0010119100000000, 0.0001128200000000, -0.0012848900000000 ] - [ -0.0007871000000000, 0.0007498700000000, -0.0009528700000000 ] - [ -0.0102162300000000, -0.0001073700000000, 0.0028625900000000 ] - [ -0.0004170300000000, -0.0001024400000000, 0.0015774600000000 ] - [ -0.0002166700000000, -0.0002713800000000, -0.0018737700000000 ] - [ 0.0000216300000000, 0.0001694500000000, -0.0017363600000000 ] - [ -0.0002330500000000, 0.0002370300000000, 0.0037378900000000 ] - [ -0.0000722600000000, 0.0015645100000000, 0.0035784700000000 ] - [ 0.0007095500000000, 0.0014101200000000, -0.0010331300000000 ] - [ 0.0004437500000000, -0.0007817300000000, 0.0002097700000000 ] - [ -0.0004973300000000, 0.0003236200000000, -0.0019324200000000 ] - [ -0.0005886200000000, -0.0024962800000000, -0.0018572900000000 ] - [ -0.0032347300000000, -0.0071463100000000, -0.0014478100000000 ] - [ -0.0020874500000000, 0.0187779300000000, -0.0032172800000000 ] - [ 0.0127289300000000, 0.0024178900000000, -0.0007530100000000 ] - [ 0.0003769100000000, 0.0005048200000000, 0.0019360400000000 ] - [ 0.0010081300000000, -0.0004986000000000, -0.0019036400000000 ] - [ 0.0006207000000000, 0.0013598800000000, -0.0011817700000000 ] - [ -0.0001912400000000, -0.0000435400000000, -0.0043957100000000 ] - [ 0.0001851900000000, 0.0005039700000000, -0.0027097000000000 ] - [ -0.0140116900000000, -0.0199157700000000, 0.1147361500000000 ] - [ -0.0000527800000000, -0.0001779800000000, 0.0036253400000000 ] - [ 0.0022344500000000, -0.0002054800000000, -0.0188361700000000 ] - [ 0.0002121200000000, 0.0019766800000000, -0.0000839800000000 ] - [ 0.0055106900000000, 0.0119969900000000, -0.0114962000000000 ] - [ 0.0001476500000000, -0.0017380000000000, 0.0000943000000000 ] - [ 0.0011420600000000, -0.0043720700000000, 0.0055169200000000 ] - [ 0.0021813500000000, 0.0071124400000000, 0.0056609300000000 ] - [ 0.0002289400000000, -0.0012263700000000, -0.0043069200000000 ] - [ -0.0001928200000000, 0.0001466300000000, -0.0030107600000000 ] - [ 0.0007865600000000, -0.0021232600000000, -0.0038846600000000 ] - [ 0.0010158100000000, 0.0004222000000000, -0.0007572800000000 ] - [ 0.0086921500000000, 0.0090278900000000, 0.0047789000000000 ] - [ -0.0000309800000000, -0.0037102400000000, 0.0035026700000000 ] - [ 0.0017372400000000, -0.0080885800000000, -0.0229610500000000 ] - [ -0.0004056900000000, 0.0011447700000000, 0.0004854800000000 ] - [ -0.0001753000000000, 0.0007199900000000, -0.0025646000000000 ] - [ -0.0000971300000000, 0.0015055200000000, -0.0012067800000000 ] - [ 0.0023555800000000, 0.0013765300000000, -0.0010240500000000 ] - [ 0.0004786000000000, 0.0005697700000000, -0.0000722600000000 ] - [ 0.0009273500000000, -0.0001330900000000, 0.0072555200000000 ] - [ 0.0001274300000000, -0.0001853300000000, 0.0028420400000000 ] - [ 0.0002221700000000, 0.0000847100000000, -0.0024823400000000 ] - [ 0.0001202000000000, -0.0000953400000000, -0.0017240900000000 ] - [ -0.0077439900000000, 0.0076414100000000, -0.0017163400000000 ] - [ 0.0003923000000000, -0.0043346500000000, 0.0003877900000000 ] - [ -0.0010172000000000, -0.0011207100000000, -0.0017336100000000 ] - [ -0.0007710300000000, 0.0002600700000000, -0.0013318100000000 ] - [ 0.0039694800000000, -0.0022561900000000, 0.0006968700000000 ] - [ 0.0003861200000000, 0.0013359200000000, 0.0000385600000000 ] - [ 0.0000228800000000, 0.0001078900000000, -0.0016026400000000 ] - [ 0.0001121700000000, -0.0007665100000000, -0.0021362900000000 ]- atom: 59 displacement: [ 0.0099999999959232, 0.0000000000000000, 0.0000002855446085 ] forces: - [ -0.0022406200000000, 0.0007427700000000, -0.0023871300000000 ] - [ -0.0016019100000000, -0.0006063300000000, -0.0005329500000000 ] - [ -0.0036322000000000, -0.0028310200000000, 0.0024755000000000 ] - [ -0.0020399600000000, 0.0018978600000000, 0.0004738800000000 ] - [ -0.0009949500000000, -0.0006209500000000, 0.0011678700000000 ] - [ -0.0002133200000000, 0.0002051700000000, -0.0000241800000000 ] - [ 0.0001259800000000, -0.0001376600000000, -0.0004230500000000 ] - [ 0.0004107800000000, -0.0005349700000000, -0.0003346400000000 ] - [ 0.0029595500000000, -0.0052725900000000, 0.0083175200000000 ] - [ 0.0021370600000000, 0.0010578500000000, 0.0012021000000000 ] - [ 0.0110582200000000, 0.0015384500000000, 0.0007210300000000 ] - [ 0.0015315700000000, -0.0001260700000000, -0.0002375200000000 ] - [ 0.0015459300000000, 0.0000872600000000, -0.0006114900000000 ] - [ 0.0002978700000000, 0.0007803500000000, -0.0012051700000000 ] - [ -0.0003309500000000, 0.0002263700000000, 0.0005072800000000 ] - [ -0.0004254500000000, -0.0004535600000000, 0.0003222000000000 ] - [ -0.0000700000000000, -0.0001548200000000, -0.0000075600000000 ] - [ 0.0000418300000000, 0.0000393600000000, -0.0001375000000000 ] - [ -0.0007752300000000, 0.0002193600000000, -0.0011357900000000 ] - [ -0.0003554600000000, 0.0000592100000000, -0.0002177100000000 ] - [ 0.0160324300000000, 0.0054030400000000, 0.0081662400000000 ] - [ 0.0017412900000000, 0.0014481600000000, -0.0011130200000000 ] - [ 0.0257188400000000, -0.0218382200000000, -0.0290509100000000 ] - [ 0.0023335400000000, -0.0002787300000000, 0.0008451600000000 ] - [ 0.0001689300000000, -0.0005569500000000, 0.0010871500000000 ] - [ 0.0006048900000000, 0.0019367300000000, 0.0015508600000000 ] - [ -0.0000090500000000, 0.0003153100000000, 0.0013977100000000 ] - [ 0.0000273000000000, -0.0001494500000000, 0.0003113300000000 ] - [ -0.0093641800000000, -0.0044009500000000, -0.0058502400000000 ] - [ -0.0019195300000000, 0.0014615400000000, -0.0005608000000000 ] - [ -0.0096206900000000, 0.0016396700000000, 0.0038826600000000 ] - [ -0.0015228500000000, -0.0008161100000000, 0.0000411700000000 ] - [ 0.0003225800000000, -0.0000333100000000, 0.0001260600000000 ] - [ 0.0002450900000000, 0.0000287600000000, 0.0001976000000000 ] - [ 0.0001708000000000, 0.0003989000000000, 0.0001644300000000 ] - [ 0.0002099000000000, -0.0000143600000000, -0.0000038400000000 ] - [ 0.0101774600000000, 0.0044914400000000, 0.0043378100000000 ] - [ 0.0009159100000000, 0.0000419000000000, 0.0002651900000000 ] - [ 0.0115133800000000, -0.0011708400000000, -0.0041187500000000 ] - [ 0.0004335300000000, -0.0004618500000000, 0.0003300900000000 ] - [ 0.0001179200000000, -0.0000597900000000, 0.0004764800000000 ] - [ 0.0001662900000000, -0.0000410300000000, 0.0004479700000000 ] - [ 0.0012455900000000, 0.0004560100000000, 0.0005220800000000 ] - [ 0.0004617200000000, 0.0001027700000000, 0.0002027000000000 ] - [ 0.0002123500000000, -0.0000458500000000, 0.0004768500000000 ] - [ 0.0001785900000000, 0.0001204000000000, 0.0001870100000000 ] - [ -0.0019249800000000, -0.0029230300000000, 0.0028854100000000 ] - [ 0.0008301200000000, 0.0071869000000000, 0.0017007000000000 ] - [ -0.0019683800000000, 0.0070805000000000, -0.0030344500000000 ] - [ 0.0000384200000000, -0.0054285100000000, 0.0024628300000000 ] - [ 0.0003439600000000, 0.0003123300000000, -0.0002173900000000 ] - [ 0.0004272200000000, -0.0004944800000000, -0.0001856400000000 ] - [ -0.0002812300000000, -0.0001367200000000, -0.0004544100000000 ] - [ -0.0001825000000000, -0.0001520200000000, -0.0002447700000000 ] - [ -0.0023549900000000, -0.0010032300000000, 0.0014597000000000 ] - [ -0.0004466600000000, -0.0002355800000000, 0.0006957000000000 ] - [ -0.0049622500000000, 0.0043523300000000, -0.0028804800000000 ] - [ -0.0008025000000000, -0.0004947200000000, -0.0001936800000000 ] - [ -0.0770290700000000, 0.0189411000000000, 0.0143845400000000 ] - [ -0.0007482600000000, -0.0003155000000000, -0.0003444900000000 ] - [ -0.0000717300000000, 0.0001716500000000, -0.0000063200000000 ] - [ -0.0000716200000000, 0.0003817800000000, -0.0006772900000000 ] - [ 0.0014949300000000, -0.0033470300000000, -0.0055398700000000 ] - [ -0.0001095100000000, 0.0003001100000000, -0.0003048100000000 ] - [ -0.0008837700000000, 0.0011357400000000, -0.0031460400000000 ] - [ -0.0003460100000000, 0.0000208900000000, -0.0002124000000000 ] - [ 0.0029150200000000, -0.0093502400000000, -0.0047791500000000 ] - [ -0.0004448000000000, 0.0020255400000000, 0.0002498500000000 ] - [ -0.0028523800000000, 0.0029094400000000, 0.0034981900000000 ] - [ -0.0013860500000000, -0.0056525400000000, 0.0006232700000000 ] - [ -0.0001945500000000, 0.0001648900000000, -0.0006110600000000 ] - [ -0.0002220200000000, -0.0006237200000000, -0.0001833500000000 ] - [ -0.0001087500000000, -0.0002263900000000, -0.0001625300000000 ] - [ -0.0000291300000000, 0.0001079100000000, -0.0001731600000000 ] - [ 0.0238424100000000, 0.0015652000000000, 0.0034038900000000 ] - [ 0.0001170000000000, -0.0002164200000000, -0.0002844500000000 ] - [ 0.0017690600000000, 0.0011759100000000, 0.0023004300000000 ] - [ 0.0003168900000000, -0.0005439400000000, 0.0005713600000000 ] - [ 0.0018925800000000, -0.0006984200000000, -0.0012086400000000 ] - [ 0.0004891900000000, 0.0001704800000000, -0.0003795400000000 ] - [ -0.0001611200000000, 0.0001660400000000, 0.0001264300000000 ] - [ -0.0002612300000000, 0.0000395100000000, -0.0001264200000000 ] - [ 0.0001992800000000, -0.0000091200000000, -0.0002511700000000 ] - [ 0.0000067200000000, -0.0001434700000000, -0.0001547300000000 ] - [ 0.0021428200000000, -0.0008352000000000, 0.0002404900000000 ] - [ 0.0009657800000000, 0.0010481600000000, 0.0002653000000000 ] - [ 0.0009866500000000, 0.0004488600000000, -0.0002231000000000 ] - [ 0.0010747000000000, -0.0009682200000000, -0.0011404500000000 ]- atom: 59 displacement: [ -0.0099999999959232, 0.0000000000000000, -0.0000002855446085 ] forces: - [ 0.0021892900000000, -0.0009135400000000, 0.0025174700000000 ] - [ 0.0015566500000000, 0.0004457100000000, 0.0006442300000000 ] - [ 0.0038117300000000, 0.0033184900000000, -0.0022293000000000 ] - [ 0.0022201200000000, -0.0014502600000000, -0.0002050000000000 ] - [ 0.0010999400000000, 0.0005923800000000, -0.0012903600000000 ] - [ 0.0003267200000000, -0.0002302400000000, -0.0000951700000000 ] - [ -0.0002035900000000, -0.0003008000000000, 0.0001326500000000 ] - [ -0.0004877700000000, 0.0000991100000000, 0.0000494300000000 ] - [ -0.0027868600000000, 0.0048880100000000, -0.0081163700000000 ] - [ -0.0020514100000000, -0.0014972700000000, -0.0009220200000000 ] - [ -0.0109186900000000, -0.0018152900000000, -0.0003298100000000 ] - [ -0.0016379400000000, 0.0001008900000000, 0.0003587900000000 ] - [ -0.0017227100000000, 0.0003691900000000, 0.0003378500000000 ] - [ -0.0004869300000000, -0.0003236600000000, 0.0009274700000000 ] - [ 0.0003673600000000, -0.0003832200000000, -0.0006154700000000 ] - [ 0.0004592700000000, 0.0002938900000000, -0.0004346300000000 ] - [ 0.0003846700000000, 0.0001113700000000, -0.0000151600000000 ] - [ 0.0002730800000000, -0.0000831900000000, 0.0001160100000000 ] - [ 0.0006068000000000, -0.0003597400000000, 0.0010305300000000 ] - [ 0.0001913200000000, -0.0002080800000000, 0.0001178200000000 ] - [ -0.0158184200000000, -0.0059958000000000, -0.0081871800000000 ] - [ -0.0015707900000000, -0.0017930400000000, 0.0012773100000000 ] - [ -0.0253725300000000, 0.0222970800000000, 0.0289655600000000 ] - [ -0.0022096700000000, 0.0004403300000000, -0.0012457500000000 ] - [ -0.0002848700000000, 0.0007197000000000, -0.0006689900000000 ] - [ -0.0007162100000000, -0.0017523100000000, -0.0011362600000000 ] - [ -0.0001599500000000, -0.0006730600000000, -0.0015552200000000 ] - [ -0.0001957600000000, -0.0002126500000000, -0.0004730700000000 ] - [ 0.0095554200000000, 0.0042164800000000, 0.0059066100000000 ] - [ 0.0020767100000000, -0.0015946000000000, 0.0006549100000000 ] - [ 0.0093396600000000, -0.0016377600000000, -0.0038329200000000 ] - [ 0.0012093400000000, 0.0007660400000000, -0.0000131800000000 ] - [ -0.0000618800000000, -0.0002437500000000, -0.0000412100000000 ] - [ 0.0000136400000000, -0.0003058700000000, -0.0001127400000000 ] - [ -0.0000836900000000, -0.0001274300000000, -0.0002763400000000 ] - [ -0.0001221000000000, 0.0002854000000000, -0.0001093300000000 ] - [ -0.0102042100000000, -0.0045425600000000, -0.0043084100000000 ] - [ -0.0008655200000000, -0.0000192400000000, -0.0001632300000000 ] - [ -0.0120441700000000, 0.0012565600000000, 0.0045722600000000 ] - [ -0.0009313300000000, 0.0005018700000000, 0.0000407700000000 ] - [ -0.0002577800000000, 0.0000820800000000, -0.0001017400000000 ] - [ -0.0003063500000000, 0.0000631300000000, -0.0000754200000000 ] - [ -0.0013999300000000, -0.0002829700000000, -0.0007760900000000 ] - [ -0.0006175600000000, 0.0000551300000000, -0.0004703900000000 ] - [ -0.0001193400000000, 0.0003268400000000, 0.0000219700000000 ] - [ -0.0000866400000000, 0.0001614000000000, 0.0003107800000000 ] - [ 0.0017866900000000, 0.0027002400000000, -0.0028114000000000 ] - [ -0.0010216300000000, -0.0073884400000000, -0.0016262400000000 ] - [ 0.0020440200000000, -0.0067732300000000, 0.0029918100000000 ] - [ 0.0000014200000000, 0.0057091900000000, -0.0024866400000000 ] - [ -0.0004028800000000, -0.0003232300000000, 0.0003435700000000 ] - [ -0.0004880700000000, 0.0004830500000000, 0.0003099400000000 ] - [ -0.0000679800000000, -0.0001521400000000, 0.0000977400000000 ] - [ -0.0001663800000000, -0.0001358100000000, -0.0001125400000000 ] - [ 0.0025190300000000, 0.0010983200000000, -0.0015386400000000 ] - [ 0.0005956000000000, 0.0003208200000000, -0.0008090300000000 ] - [ 0.0047924100000000, -0.0043555100000000, 0.0028898000000000 ] - [ 0.0006320400000000, 0.0004713800000000, 0.0002672400000000 ] - [ 0.0761962800000000, -0.0185666400000000, -0.0151875500000000 ] - [ 0.0009219500000000, 0.0004792600000000, -0.0001583900000000 ] - [ -0.0001039700000000, -0.0000034200000000, 0.0005049900000000 ] - [ -0.0001038800000000, -0.0002154000000000, 0.0011737700000000 ] - [ -0.0013293400000000, 0.0033046500000000, 0.0054399400000000 ] - [ 0.0002786800000000, -0.0003216500000000, 0.0002303000000000 ] - [ 0.0007315800000000, -0.0010453700000000, 0.0032470900000000 ] - [ 0.0001942600000000, 0.0000649500000000, 0.0003311900000000 ] - [ -0.0026016000000000, 0.0090413900000000, 0.0051249400000000 ] - [ 0.0007856000000000, -0.0023137900000000, 0.0001076000000000 ] - [ 0.0028995700000000, -0.0029042200000000, -0.0036129900000000 ] - [ 0.0014414900000000, 0.0055994800000000, -0.0007498600000000 ] - [ 0.0001587000000000, 0.0001337900000000, 0.0006290700000000 ] - [ 0.0001846300000000, 0.0009183700000000, 0.0002078000000000 ] - [ 0.0002698600000000, 0.0000128400000000, 0.0000956300000000 ] - [ 0.0001921500000000, -0.0003197000000000, 0.0001062400000000 ] - [ -0.0234734000000000, -0.0012798500000000, -0.0038646900000000 ] - [ -0.0002088300000000, 0.0004982000000000, -0.0002140600000000 ] - [ -0.0016132900000000, -0.0010235800000000, -0.0020136300000000 ] - [ -0.0001579300000000, 0.0007023800000000, -0.0002980700000000 ] - [ -0.0017519400000000, 0.0007217700000000, 0.0008280000000000 ] - [ -0.0003477800000000, -0.0001472200000000, 0.0000074700000000 ] - [ 0.0006592400000000, -0.0001257000000000, -0.0004947100000000 ] - [ 0.0007593800000000, -0.0000001400000000, -0.0002441900000000 ] - [ -0.0002442300000000, 0.0000333000000000, 0.0001475600000000 ] - [ -0.0000527100000000, 0.0001672200000000, 0.0000512700000000 ] - [ -0.0022316600000000, 0.0010938400000000, -0.0001209600000000 ] - [ -0.0010521200000000, -0.0007604400000000, -0.0001560800000000 ] - [ -0.0012453600000000, -0.0007242600000000, 0.0001352400000000 ] - [ -0.0013367300000000, 0.0006805200000000, 0.0010498500000000 ]- atom: 59 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0012714400000000, 0.0062540500000000, 0.0003398700000000 ] - [ -0.0032330900000000, -0.0055815600000000, -0.0020067200000000 ] - [ -0.0032590300000000, 0.0064540100000000, 0.0057345400000000 ] - [ 0.0035961600000000, -0.0051474700000000, -0.0011645600000000 ] - [ 0.0018574300000000, 0.0020625500000000, -0.0031139300000000 ] - [ 0.0001696600000000, -0.0011445800000000, -0.0000301100000000 ] - [ 0.0000915800000000, -0.0000628400000000, -0.0040167800000000 ] - [ 0.0002979500000000, -0.0014412300000000, -0.0001384500000000 ] - [ -0.0023833000000000, 0.0066395700000000, 0.0071939800000000 ] - [ 0.0027027700000000, -0.0067157800000000, -0.0024143000000000 ] - [ 0.0002153100000000, 0.0125569600000000, 0.0048018000000000 ] - [ -0.0022955700000000, -0.0078431500000000, -0.0001143000000000 ] - [ -0.0018672200000000, 0.0027067300000000, -0.0046317000000000 ] - [ -0.0003022900000000, -0.0010347300000000, 0.0014482400000000 ] - [ -0.0001247000000000, 0.0006522600000000, -0.0021906500000000 ] - [ -0.0002728900000000, -0.0011191000000000, -0.0002340900000000 ] - [ 0.0001899700000000, 0.0012992400000000, -0.0015923500000000 ] - [ 0.0002914900000000, -0.0010034900000000, -0.0021401700000000 ] - [ -0.0000336600000000, 0.0015856300000000, 0.0002293100000000 ] - [ 0.0000731400000000, -0.0022258800000000, -0.0013456300000000 ] - [ 0.0016424700000000, 0.0039164200000000, 0.0019369300000000 ] - [ 0.0002610500000000, -0.0103109400000000, 0.0049513300000000 ] - [ -0.0178827500000000, 0.0498139700000000, 0.0436132900000000 ] - [ -0.0001310200000000, -0.0108370800000000, 0.0048857500000000 ] - [ 0.0004000900000000, 0.0030974700000000, -0.0009342100000000 ] - [ -0.0010887900000000, -0.0055960500000000, -0.0026070400000000 ] - [ -0.0003228000000000, 0.0020325800000000, -0.0014427000000000 ] - [ -0.0001254700000000, -0.0017587800000000, -0.0023041400000000 ] - [ 0.0007512500000000, 0.0046529600000000, 0.0021771800000000 ] - [ 0.0012251000000000, -0.0044339600000000, 0.0018528300000000 ] - [ 0.0027124000000000, 0.0044377400000000, -0.0001671600000000 ] - [ -0.0012821100000000, -0.0032647500000000, 0.0025418700000000 ] - [ 0.0003535200000000, -0.0013266700000000, 0.0011338500000000 ] - [ 0.0001058100000000, 0.0007749300000000, 0.0009475500000000 ] - [ 0.0005171500000000, -0.0008925000000000, 0.0005468400000000 ] - [ -0.0001660300000000, 0.0014033600000000, 0.0007596900000000 ] - [ 0.0088962100000000, -0.0036405900000000, 0.0019585400000000 ] - [ -0.0009501800000000, 0.0026044400000000, -0.0011967800000000 ] - [ -0.0136446300000000, -0.0076929400000000, 0.0014609800000000 ] - [ 0.0007610600000000, 0.0031310800000000, -0.0010153800000000 ] - [ -0.0005599700000000, -0.0004132100000000, 0.0000462000000000 ] - [ 0.0003761800000000, 0.0005113100000000, 0.0020852900000000 ] - [ -0.0003685800000000, 0.0006481300000000, 0.0011407000000000 ] - [ -0.0002925700000000, -0.0000478400000000, -0.0010940300000000 ] - [ 0.0000694100000000, -0.0000965700000000, 0.0010532800000000 ] - [ -0.0001588300000000, -0.0000552700000000, 0.0011745100000000 ] - [ -0.0032074500000000, 0.0047935700000000, -0.0072796400000000 ] - [ 0.0012020800000000, 0.0208339200000000, 0.0049011200000000 ] - [ 0.0088096400000000, 0.0206093400000000, -0.0117196900000000 ] - [ -0.0021222300000000, 0.0135135300000000, -0.0032996400000000 ] - [ -0.0004739300000000, -0.0014656500000000, -0.0002864200000000 ] - [ -0.0006698500000000, 0.0018464700000000, 0.0009382000000000 ] - [ -0.0002545000000000, -0.0011141100000000, 0.0010495400000000 ] - [ -0.0003079500000000, 0.0003186600000000, 0.0002930700000000 ] - [ -0.0003413500000000, -0.0057929600000000, 0.0085159100000000 ] - [ 0.0005935900000000, 0.0045607900000000, -0.0015815500000000 ] - [ 0.0036083200000000, -0.0124363400000000, 0.0008553800000000 ] - [ -0.0001860000000000, 0.0041190600000000, -0.0018836600000000 ] - [ 0.0194176100000000, -0.1178644200000000, -0.0704589700000000 ] - [ -0.0003074400000000, 0.0054302500000000, 0.0002437700000000 ] - [ -0.0003856000000000, -0.0002416400000000, 0.0012907800000000 ] - [ -0.0001758900000000, -0.0002467000000000, 0.0018736400000000 ] - [ -0.0021087600000000, 0.0078284500000000, 0.0117477000000000 ] - [ 0.0002156600000000, -0.0006341900000000, -0.0018634900000000 ] - [ -0.0001809400000000, 0.0003502300000000, -0.0014224700000000 ] - [ -0.0005092300000000, 0.0006449600000000, 0.0025698400000000 ] - [ -0.0120811000000000, 0.0125311600000000, 0.0055178700000000 ] - [ 0.0022766700000000, 0.0032532600000000, -0.0017674200000000 ] - [ 0.0117531200000000, 0.0043427900000000, 0.0071373200000000 ] - [ -0.0003535200000000, 0.0050470000000000, -0.0019460800000000 ] - [ -0.0004339400000000, -0.0011448800000000, 0.0010823100000000 ] - [ 0.0003216400000000, 0.0026017700000000, 0.0007776500000000 ] - [ 0.0000482400000000, -0.0016203500000000, 0.0012329300000000 ] - [ 0.0001097300000000, 0.0006862400000000, 0.0000619500000000 ] - [ -0.0013876200000000, -0.0078214900000000, -0.0032055400000000 ] - [ 0.0001880200000000, 0.0028200200000000, -0.0003355900000000 ] - [ -0.0016450400000000, -0.0046251800000000, -0.0008694500000000 ] - [ 0.0001568900000000, 0.0023351100000000, -0.0003527400000000 ] - [ 0.0009157900000000, -0.0027624100000000, 0.0013458700000000 ] - [ -0.0003525100000000, 0.0026611500000000, -0.0010518200000000 ] - [ 0.0005825000000000, -0.0006628800000000, -0.0004094100000000 ] - [ 0.0011112400000000, 0.0010886300000000, 0.0007075000000000 ] - [ 0.0001454300000000, -0.0001755100000000, 0.0003719800000000 ] - [ 0.0000649000000000, 0.0004262000000000, 0.0006355300000000 ] - [ -0.0015874500000000, 0.0011829300000000, -0.0015733500000000 ] - [ -0.0000931900000000, 0.0012071400000000, -0.0011613300000000 ] - [ 0.0006637100000000, -0.0005375500000000, -0.0006640400000000 ] - [ -0.0011024700000000, 0.0005651700000000, 0.0018632500000000 ]- atom: 59 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0013225600000000, -0.0064218100000000, -0.0002557700000000 ] - [ 0.0032149200000000, 0.0054422300000000, 0.0021345000000000 ] - [ 0.0034420200000000, -0.0060632800000000, -0.0054572600000000 ] - [ -0.0033912100000000, 0.0056089700000000, 0.0014255600000000 ] - [ -0.0017431400000000, -0.0020885500000000, 0.0030038600000000 ] - [ -0.0000534700000000, 0.0011173900000000, -0.0000902300000000 ] - [ -0.0001696100000000, -0.0003765900000000, 0.0037488100000000 ] - [ -0.0003773800000000, 0.0010128300000000, -0.0001439100000000 ] - [ 0.0025413400000000, -0.0070137500000000, -0.0070641100000000 ] - [ -0.0026358900000000, 0.0062992200000000, 0.0027093800000000 ] - [ 0.0000314200000000, -0.0130800200000000, -0.0043198900000000 ] - [ 0.0021662100000000, 0.0078228600000000, 0.0002251700000000 ] - [ 0.0016825300000000, -0.0022416500000000, 0.0043693900000000 ] - [ 0.0001092700000000, 0.0014869000000000, -0.0017240200000000 ] - [ 0.0001595300000000, -0.0008199100000000, 0.0020804200000000 ] - [ 0.0003093000000000, 0.0009677100000000, 0.0001221600000000 ] - [ 0.0001265000000000, -0.0013450700000000, 0.0015763600000000 ] - [ 0.0000239000000000, 0.0009605600000000, 0.0021298300000000 ] - [ -0.0001309900000000, -0.0017403000000000, -0.0003212000000000 ] - [ -0.0002390200000000, 0.0020924700000000, 0.0012541800000000 ] - [ -0.0019991800000000, -0.0053390300000000, -0.0027881000000000 ] - [ -0.0000867300000000, 0.0099917100000000, -0.0047586800000000 ] - [ 0.0170513700000000, -0.0485348600000000, -0.0418514600000000 ] - [ 0.0002342300000000, 0.0110494000000000, -0.0053280100000000 ] - [ -0.0005204500000000, -0.0029507800000000, 0.0013592400000000 ] - [ 0.0009756900000000, 0.0057820600000000, 0.0030188500000000 ] - [ 0.0001513900000000, -0.0023970400000000, 0.0012809100000000 ] - [ -0.0000441800000000, 0.0013999900000000, 0.0021508700000000 ] - [ -0.0005886900000000, -0.0047584700000000, -0.0020453200000000 ] - [ -0.0010548800000000, 0.0042947300000000, -0.0017660700000000 ] - [ -0.0030544600000000, -0.0045568300000000, 0.0001612100000000 ] - [ 0.0009639300000000, 0.0032375600000000, -0.0025279000000000 ] - [ -0.0000970800000000, 0.0010529700000000, -0.0010498400000000 ] - [ 0.0001518600000000, -0.0010569800000000, -0.0008686500000000 ] - [ -0.0004316800000000, 0.0011638100000000, -0.0006642900000000 ] - [ 0.0002537900000000, -0.0011383600000000, -0.0008761700000000 ] - [ -0.0088806200000000, 0.0037477400000000, -0.0018273700000000 ] - [ 0.0009956000000000, -0.0025901500000000, 0.0013005100000000 ] - [ 0.0131390800000000, 0.0076821300000000, -0.0011436800000000 ] - [ -0.0012744400000000, -0.0031029500000000, 0.0013922600000000 ] - [ 0.0004187500000000, 0.0004332600000000, 0.0003276500000000 ] - [ -0.0005209900000000, -0.0004893800000000, -0.0017227500000000 ] - [ 0.0002104400000000, -0.0004997500000000, -0.0014219500000000 ] - [ 0.0001350000000000, 0.0002108200000000, 0.0008268000000000 ] - [ 0.0000208400000000, 0.0003819400000000, -0.0005622700000000 ] - [ 0.0002499000000000, 0.0003361800000000, -0.0006806800000000 ] - [ 0.0030329200000000, -0.0050404800000000, 0.0073216700000000 ] - [ -0.0013597900000000, -0.0212107000000000, -0.0048400000000000 ] - [ -0.0089213500000000, -0.0205691000000000, 0.0118645700000000 ] - [ 0.0021403400000000, -0.0131641800000000, 0.0032943400000000 ] - [ 0.0004132400000000, 0.0014591600000000, 0.0004099900000000 ] - [ 0.0006050900000000, -0.0018617500000000, -0.0008121400000000 ] - [ -0.0000944800000000, 0.0008279100000000, -0.0014100400000000 ] - [ -0.0000413400000000, -0.0006078800000000, -0.0006523600000000 ] - [ 0.0005045300000000, 0.0059560700000000, -0.0086719000000000 ] - [ -0.0004465800000000, -0.0044899100000000, 0.0014634500000000 ] - [ -0.0037676500000000, 0.0123983600000000, -0.0008724700000000 ] - [ 0.0000222500000000, -0.0041508300000000, 0.0019724400000000 ] - [ -0.0181010500000000, 0.1188815300000000, 0.0685947500000000 ] - [ 0.0004873800000000, -0.0052821000000000, -0.0007501300000000 ] - [ 0.0002116500000000, 0.0004145600000000, -0.0007973500000000 ] - [ -0.0000007600000000, 0.0004094300000000, -0.0013737600000000 ] - [ 0.0022816700000000, -0.0078335600000000, -0.0118121700000000 ] - [ -0.0000476600000000, 0.0006196700000000, 0.0017997100000000 ] - [ 0.0000317700000000, -0.0002702200000000, 0.0015550200000000 ] - [ 0.0003617800000000, -0.0005599400000000, -0.0024637600000000 ] - [ 0.0126062700000000, -0.0129596500000000, -0.0052370100000000 ] - [ -0.0019230000000000, -0.0035395100000000, 0.0021182800000000 ] - [ -0.0116442400000000, -0.0043621500000000, -0.0072246000000000 ] - [ 0.0004333700000000, -0.0050377100000000, 0.0018275700000000 ] - [ 0.0003995100000000, 0.0014431800000000, -0.0010659600000000 ] - [ -0.0003585400000000, -0.0023061600000000, -0.0007540000000000 ] - [ 0.0001162100000000, 0.0014122500000000, -0.0013031100000000 ] - [ 0.0000541400000000, -0.0009033200000000, -0.0001293300000000 ] - [ 0.0011615400000000, 0.0081182600000000, 0.0026961100000000 ] - [ -0.0002773700000000, -0.0025443000000000, -0.0001575200000000 ] - [ 0.0018074100000000, 0.0048091700000000, 0.0011357200000000 ] - [ 0.0000007200000000, -0.0021785600000000, 0.0006270300000000 ] - [ -0.0007764200000000, 0.0027946800000000, -0.0017128000000000 ] - [ 0.0004984300000000, -0.0026498100000000, 0.0006818400000000 ] - [ -0.0000821200000000, 0.0007080400000000, 0.0000389400000000 ] - [ -0.0006071600000000, -0.0010563100000000, -0.0010799300000000 ] - [ -0.0001918000000000, 0.0001988100000000, -0.0004763500000000 ] - [ -0.0001105400000000, -0.0004020100000000, -0.0007408600000000 ] - [ 0.0015063700000000, -0.0009045800000000, 0.0016873800000000 ] - [ 0.0000047500000000, -0.0009549400000000, 0.0012806100000000 ] - [ -0.0009243700000000, 0.0002524500000000, 0.0005805500000000 ] - [ 0.0008527300000000, -0.0008338100000000, -0.0019507600000000 ]- atom: 59 displacement: [ -0.0014701282124378, 0.0000000000000000, 0.0098913458659069 ] forces: - [ -0.0045268600000000, 0.0031818400000000, -0.0031581500000000 ] - [ -0.0032020500000000, -0.0035988700000000, -0.0015451100000000 ] - [ 0.0038227900000000, 0.0070273600000000, 0.0019764000000000 ] - [ 0.0035896400000000, -0.0039262800000000, 0.0004280600000000 ] - [ 0.0023900200000000, 0.0007647900000000, -0.0050966400000000 ] - [ 0.0005359400000000, -0.0001053300000000, -0.0017259300000000 ] - [ 0.0002271200000000, -0.0020526200000000, -0.0072205400000000 ] - [ -0.0002099200000000, 0.0005105300000000, -0.0032084700000000 ] - [ 0.0094070800000000, 0.0129411500000000, -0.0094210800000000 ] - [ 0.0028156200000000, -0.0040729700000000, -0.0003227200000000 ] - [ -0.0013697400000000, 0.0031765400000000, 0.0213242800000000 ] - [ -0.0022654900000000, -0.0045294000000000, 0.0035728800000000 ] - [ -0.0037498700000000, -0.0007320200000000, -0.0069112600000000 ] - [ -0.0006112100000000, 0.0005064700000000, -0.0012435000000000 ] - [ -0.0000741300000000, -0.0010164800000000, -0.0029498400000000 ] - [ 0.0002575600000000, 0.0007123600000000, -0.0019276600000000 ] - [ 0.0002346700000000, 0.0008494300000000, -0.0056325200000000 ] - [ 0.0003681700000000, -0.0002917400000000, -0.0045912800000000 ] - [ -0.0008104300000000, 0.0016201100000000, -0.0030924600000000 ] - [ -0.0004126600000000, -0.0016058300000000, -0.0027517300000000 ] - [ -0.0010032200000000, -0.0175569300000000, 0.0137296900000000 ] - [ -0.0004003700000000, 0.0030479500000000, 0.0105298700000000 ] - [ -0.0296612100000000, 0.0481474700000000, 0.0861505100000000 ] - [ 0.0000462700000000, -0.0004809900000000, 0.0037292800000000 ] - [ 0.0018832700000000, 0.0052415200000000, -0.0070280600000000 ] - [ -0.0004087200000000, -0.0046609800000000, -0.0046181500000000 ] - [ 0.0001494100000000, -0.0002971900000000, -0.0070970300000000 ] - [ -0.0003213300000000, -0.0004736500000000, -0.0045091900000000 ] - [ 0.0031007200000000, 0.0015536800000000, 0.0071703100000000 ] - [ 0.0000232800000000, -0.0006319800000000, 0.0032728000000000 ] - [ 0.0008323900000000, -0.0006614400000000, 0.0051551300000000 ] - [ 0.0004849800000000, 0.0007707000000000, 0.0056995600000000 ] - [ 0.0007791300000000, -0.0009346000000000, 0.0029111300000000 ] - [ 0.0000793500000000, -0.0003066900000000, 0.0017348200000000 ] - [ 0.0008115100000000, 0.0000649700000000, 0.0027644000000000 ] - [ 0.0001594300000000, 0.0011950100000000, 0.0018588000000000 ] - [ 0.0091785600000000, 0.0008511300000000, -0.0012016800000000 ] - [ 0.0001237600000000, 0.0005024600000000, -0.0021352500000000 ] - [ -0.0173507400000000, -0.0034930800000000, 0.0009993400000000 ] - [ -0.0004887000000000, 0.0010614300000000, -0.0006771000000000 ] - [ 0.0002073100000000, -0.0001541400000000, 0.0027043200000000 ] - [ 0.0005492300000000, 0.0010312700000000, 0.0026032200000000 ] - [ -0.0005543700000000, 0.0011754700000000, 0.0010797800000000 ] - [ -0.0002974000000000, -0.0006214000000000, -0.0001826900000000 ] - [ 0.0003313500000000, -0.0008724900000000, 0.0029585200000000 ] - [ -0.0001160500000000, -0.0006707400000000, 0.0027948400000000 ] - [ 0.0035342800000000, -0.0110032000000000, 0.0015467300000000 ] - [ 0.0006233500000000, 0.0186987200000000, 0.0053486800000000 ] - [ -0.0005565600000000, -0.0044913100000000, -0.0068724000000000 ] - [ -0.0011557800000000, 0.0153618700000000, -0.0103463900000000 ] - [ -0.0011386600000000, -0.0009800800000000, 0.0014507800000000 ] - [ -0.0007920900000000, 0.0015023900000000, 0.0011717900000000 ] - [ -0.0001577700000000, -0.0010706400000000, 0.0026798000000000 ] - [ -0.0003196500000000, -0.0004645200000000, 0.0014956200000000 ] - [ 0.0035252100000000, 0.0032956800000000, 0.0153879900000000 ] - [ 0.0001881500000000, 0.0020731700000000, -0.0002137400000000 ] - [ 0.0030963400000000, -0.0095109200000000, 0.0194064700000000 ] - [ 0.0000835600000000, 0.0011863300000000, -0.0000914100000000 ] - [ 0.0268031500000000, -0.0726867100000000, -0.1429708800000000 ] - [ 0.0001181300000000, 0.0006449900000000, -0.0042340300000000 ] - [ -0.0010072100000000, -0.0015413600000000, 0.0038982000000000 ] - [ -0.0003436300000000, -0.0009909200000000, 0.0039942500000000 ] - [ -0.0025265500000000, 0.0080431100000000, 0.0122589100000000 ] - [ -0.0002408000000000, -0.0016407000000000, 0.0000865700000000 ] - [ 0.0005602700000000, -0.0014411000000000, 0.0070204900000000 ] - [ -0.0007032100000000, 0.0012166600000000, 0.0026868400000000 ] - [ -0.0077979500000000, 0.0092678500000000, -0.0034177400000000 ] - [ -0.0000170400000000, -0.0032462400000000, -0.0036747100000000 ] - [ 0.0114551300000000, 0.0064534400000000, 0.0035444700000000 ] - [ -0.0002518700000000, -0.0026583500000000, -0.0007083100000000 ] - [ -0.0007045700000000, 0.0003940200000000, 0.0047174800000000 ] - [ -0.0000338500000000, 0.0022260000000000, 0.0019722100000000 ] - [ -0.0003528800000000, -0.0010013500000000, 0.0020470200000000 ] - [ 0.0001866900000000, -0.0008871500000000, 0.0010832600000000 ] - [ -0.0063643000000000, -0.0030299600000000, -0.0104546900000000 ] - [ -0.0000068200000000, -0.0000580100000000, -0.0029946600000000 ] - [ 0.0013334200000000, -0.0009140600000000, 0.0006874700000000 ] - [ 0.0003085100000000, 0.0008823100000000, -0.0000816700000000 ] - [ -0.0014464600000000, 0.0013469000000000, 0.0002565900000000 ] - [ -0.0001814500000000, 0.0013494400000000, -0.0008803500000000 ] - [ 0.0011625700000000, -0.0010309500000000, 0.0010128500000000 ] - [ 0.0011687400000000, 0.0016296100000000, 0.0011418500000000 ] - [ -0.0001763500000000, 0.0000583700000000, 0.0016425700000000 ] - [ 0.0000874100000000, 0.0004913700000000, 0.0014487800000000 ] - [ -0.0001345600000000, 0.0006611200000000, -0.0045064400000000 ] - [ -0.0005772100000000, 0.0020597200000000, -0.0033342200000000 ] - [ -0.0013715900000000, -0.0029039300000000, -0.0009170400000000 ] - [ -0.0004302300000000, 0.0005225600000000, 0.0008111200000000 ]- atom: 59 displacement: [ 0.0014701282124378, 0.0000000000000000, -0.0098913458659069 ] forces: - [ 0.0045042900000000, -0.0033426200000000, 0.0032369000000000 ] - [ 0.0031640000000000, 0.0034307800000000, 0.0016467200000000 ] - [ -0.0036520000000000, -0.0065502700000000, -0.0016388800000000 ] - [ -0.0033741500000000, 0.0043530400000000, -0.0001633700000000 ] - [ -0.0022595100000000, -0.0007922000000000, 0.0049794500000000 ] - [ -0.0004179900000000, 0.0000795500000000, 0.0016176700000000 ] - [ -0.0003037200000000, 0.0016352600000000, 0.0069599200000000 ] - [ 0.0001372600000000, -0.0009521600000000, 0.0029232800000000 ] - [ -0.0092236500000000, -0.0133398200000000, 0.0094520700000000 ] - [ -0.0027361300000000, 0.0036249500000000, 0.0005875700000000 ] - [ 0.0015236400000000, -0.0035181800000000, -0.0209219200000000 ] - [ 0.0021381400000000, 0.0044866500000000, -0.0034528000000000 ] - [ 0.0035250100000000, 0.0011705600000000, 0.0066310300000000 ] - [ 0.0004177100000000, -0.0000536000000000, 0.0009927800000000 ] - [ 0.0001036700000000, 0.0008660400000000, 0.0028254900000000 ] - [ -0.0002281100000000, -0.0008797200000000, 0.0018139200000000 ] - [ 0.0000821800000000, -0.0008978400000000, 0.0056145500000000 ] - [ -0.0000515900000000, 0.0002500700000000, 0.0045743500000000 ] - [ 0.0006433500000000, -0.0017602000000000, 0.0030184400000000 ] - [ 0.0002464000000000, 0.0014564600000000, 0.0026668900000000 ] - [ 0.0009444200000000, 0.0166471800000000, -0.0139703800000000 ] - [ 0.0005621900000000, -0.0034094500000000, -0.0103421500000000 ] - [ 0.0281320600000000, -0.0447223500000000, -0.0833105200000000 ] - [ 0.0000651700000000, 0.0005870000000000, -0.0041103800000000 ] - [ -0.0019816300000000, -0.0050222400000000, 0.0074170400000000 ] - [ 0.0002918300000000, 0.0048161900000000, 0.0050343100000000 ] - [ -0.0003232200000000, -0.0000645500000000, 0.0069413300000000 ] - [ 0.0001497200000000, 0.0001164800000000, 0.0043471400000000 ] - [ -0.0029059200000000, -0.0016536700000000, -0.0070262800000000 ] - [ 0.0001498100000000, 0.0004666300000000, -0.0031734700000000 ] - [ -0.0011574900000000, 0.0005983700000000, -0.0051889800000000 ] - [ -0.0007957500000000, -0.0008245600000000, -0.0056934100000000 ] - [ -0.0005293300000000, 0.0006596700000000, -0.0028260300000000 ] - [ 0.0001783400000000, 0.0000322300000000, -0.0016471800000000 ] - [ -0.0007226900000000, 0.0001996500000000, -0.0028824200000000 ] - [ -0.0000740900000000, -0.0009244700000000, -0.0019768000000000 ] - [ -0.0091251500000000, -0.0008017100000000, 0.0013802600000000 ] - [ -0.0000810800000000, -0.0004738100000000, 0.0022382300000000 ] - [ 0.0167440600000000, 0.0034816000000000, -0.0006603200000000 ] - [ -0.0000056800000000, -0.0010050100000000, 0.0010415700000000 ] - [ -0.0003490500000000, 0.0001759100000000, -0.0023266000000000 ] - [ -0.0006959300000000, -0.0010150200000000, -0.0022269300000000 ] - [ 0.0003931400000000, -0.0010189100000000, -0.0013597100000000 ] - [ 0.0001383600000000, 0.0007799800000000, -0.0001008000000000 ] - [ -0.0002438300000000, 0.0011547200000000, -0.0024693800000000 ] - [ 0.0002052400000000, 0.0009580900000000, -0.0023026100000000 ] - [ -0.0037257100000000, 0.0108014900000000, -0.0014612200000000 ] - [ -0.0007677900000000, -0.0189461100000000, -0.0053267600000000 ] - [ 0.0006417600000000, 0.0049305500000000, 0.0067799400000000 ] - [ 0.0011931500000000, -0.0149417300000000, 0.0102056400000000 ] - [ 0.0010629700000000, 0.0009627200000000, -0.0013358300000000 ] - [ 0.0007256400000000, -0.0015093700000000, -0.0010494400000000 ] - [ -0.0001956000000000, 0.0007856700000000, -0.0030414600000000 ] - [ -0.0000313800000000, 0.0001766400000000, -0.0018549700000000 ] - [ -0.0034451900000000, -0.0032902500000000, -0.0157121800000000 ] - [ -0.0000370400000000, -0.0019790100000000, 0.0000987900000000 ] - [ -0.0032331300000000, 0.0093675200000000, -0.0190260100000000 ] - [ -0.0002521900000000, -0.0011850600000000, 0.0001454000000000 ] - [ -0.0249964000000000, 0.0703933400000000, 0.1395069300000000 ] - [ 0.0000563800000000, -0.0004555700000000, 0.0037446500000000 ] - [ 0.0008286900000000, 0.0016963300000000, -0.0033966800000000 ] - [ 0.0001669600000000, 0.0011620100000000, -0.0034975300000000 ] - [ 0.0026890100000000, -0.0080400100000000, -0.0122716600000000 ] - [ 0.0004055600000000, 0.0016057700000000, -0.0001790900000000 ] - [ -0.0007219200000000, 0.0015426700000000, -0.0069363100000000 ] - [ 0.0005573100000000, -0.0011374300000000, -0.0025622100000000 ] - [ 0.0081595900000000, -0.0095833300000000, 0.0038329700000000 ] - [ 0.0003642500000000, 0.0029614700000000, 0.0040483300000000 ] - [ -0.0113172500000000, -0.0064390100000000, -0.0036773600000000 ] - [ 0.0003117300000000, 0.0026874600000000, 0.0005731700000000 ] - [ 0.0006677200000000, -0.0000934000000000, -0.0046779100000000 ] - [ 0.0000004000000000, -0.0019221100000000, -0.0019510400000000 ] - [ 0.0005242300000000, 0.0007847100000000, -0.0021136300000000 ] - [ -0.0000230400000000, 0.0006767000000000, -0.0011499000000000 ] - [ 0.0061476800000000, 0.0032974800000000, 0.0099647000000000 ] - [ -0.0000838900000000, 0.0003505200000000, 0.0025059300000000 ] - [ -0.0011809000000000, 0.0010596600000000, -0.0004385100000000 ] - [ -0.0001509700000000, -0.0007108800000000, 0.0003453200000000 ] - [ 0.0016112100000000, -0.0013470600000000, -0.0006079600000000 ] - [ 0.0003217100000000, -0.0013223800000000, 0.0005136800000000 ] - [ -0.0006496300000000, 0.0010605300000000, -0.0013848500000000 ] - [ -0.0006633100000000, -0.0015828600000000, -0.0015141800000000 ] - [ 0.0001355100000000, -0.0000311100000000, -0.0017462100000000 ] - [ -0.0001315500000000, -0.0004669700000000, -0.0015519400000000 ] - [ 0.0000433800000000, -0.0003788800000000, 0.0046166500000000 ] - [ 0.0004865900000000, -0.0017967600000000, 0.0034471100000000 ] - [ 0.0011333100000000, 0.0026399400000000, 0.0008434500000000 ] - [ 0.0001698600000000, -0.0007885800000000, -0.0008774200000000 ]