# Fileset

[phonopy_params.yaml.xz](https://mdr.nims.go.jp/filesets/ebc09aca-f0a9-47b7-845a-8520f026eb98/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 Te4O9 / R-3 (148) / materials id 27127](https://mdr.nims.go.jp/datasets/a6782b6d-3dd8-4e67-a65d-c844ae4737fc)

## 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: "R-3"  number: 148  Hall_symbol: "-R 3"primitive_matrix:- [  0.666666666666667, -0.333333333333333, -0.333333333333333 ]- [  0.333333333333333,  0.333333333333333, -0.666666666666667 ]- [  0.333333333333333,  0.333333333333333,  0.333333333333333 ]supercell_matrix:- [   1,   0,   0 ]- [   0,   1,   0 ]- [   0,   0,   1 ]primitive_cell:  lattice:  - [     4.669669513333338,     2.696034866666664,     4.847021033333329 ] # a  - [    -4.669669436666662,     2.696034986666664,     4.847021033333329 ] # b  - [    -0.000000076666662,    -5.392069853333336,     4.847021033333329 ] # c  points:  - symbol: Te # 1    coordinates: [  0.819055380000000,  0.819055370000000,  0.819055380000000 ]    mass: 127.600000  - symbol: Te # 2    coordinates: [  0.180944630000000,  0.180944620000001,  0.180944630000000 ]    mass: 127.600000  - symbol: Te # 3    coordinates: [  0.158484390000000,  0.699874860000002,  0.399078890000000 ]    mass: 127.600000  - symbol: Te # 4    coordinates: [  0.399078890000000,  0.158484390000002,  0.699874860000000 ]    mass: 127.600000  - symbol: Te # 5    coordinates: [  0.699874860000000,  0.399078890000002,  0.158484390000000 ]    mass: 127.600000  - symbol: Te # 6    coordinates: [  0.841515610000000,  0.300125120000003,  0.600921110000000 ]    mass: 127.600000  - symbol: Te # 7    coordinates: [  0.600921110000000,  0.841515590000003,  0.300125140000000 ]    mass: 127.600000  - symbol: Te # 8    coordinates: [  0.300125140000000,  0.600921090000003,  0.841515610000000 ]    mass: 127.600000  - symbol: O  # 9    coordinates: [  0.932921810000000,  0.049309250000003,  0.720753940000000 ]    mass: 15.999400  - symbol: O  # 10    coordinates: [  0.720753940000000,  0.932921820000002,  0.049309240000000 ]    mass: 15.999400  - symbol: O  # 11    coordinates: [  0.049309240000000,  0.720753950000003,  0.932921810000000 ]    mass: 15.999400  - symbol: O  # 12    coordinates: [  0.067078190000000,  0.950690760000002,  0.279246060000000 ]    mass: 15.999400  - symbol: O  # 13    coordinates: [  0.279246060000000,  0.067078190000002,  0.950690760000000 ]    mass: 15.999400  - symbol: O  # 14    coordinates: [  0.950690760000000,  0.279246060000002,  0.067078190000000 ]    mass: 15.999400  - symbol: O  # 15    coordinates: [  0.414463830000000,  0.085139820000002,  0.280221800000000 ]    mass: 15.999400  - symbol: O  # 16    coordinates: [  0.280221800000000,  0.414463830000002,  0.085139820000000 ]    mass: 15.999400  - symbol: O  # 17    coordinates: [  0.085139820000000,  0.280221800000002,  0.414463830000000 ]    mass: 15.999400  - symbol: O  # 18    coordinates: [  0.585536160000000,  0.914860170000000,  0.719778200000000 ]    mass: 15.999400  - symbol: O  # 19    coordinates: [  0.719778200000000,  0.585536160000000,  0.914860170000000 ]    mass: 15.999400  - symbol: O  # 20    coordinates: [  0.914860170000000,  0.719778200000000,  0.585536160000000 ]    mass: 15.999400  - symbol: O  # 21    coordinates: [  0.705891030000000,  0.224485300000002,  0.426382990000000 ]    mass: 15.999400  - symbol: O  # 22    coordinates: [  0.426382990000000,  0.705891020000002,  0.224485310000000 ]    mass: 15.999400  - symbol: O  # 23    coordinates: [  0.224485310000000,  0.426382980000002,  0.705891030000000 ]    mass: 15.999400  - symbol: O  # 24    coordinates: [  0.294108960000000,  0.775514690000003,  0.573617010000000 ]    mass: 15.999400  - symbol: O  # 25    coordinates: [  0.573617010000000,  0.294108970000003,  0.775514680000000 ]    mass: 15.999400  - symbol: O  # 26    coordinates: [  0.775514680000000,  0.573617020000002,  0.294108960000000 ]    mass: 15.999400  reciprocal_lattice: # without 2pi  - [     0.107073960241940,     0.061819177828022,     0.068770762709915 ] # a*  - [    -0.107073958653326,     0.061819180872865,     0.068770762709915 ] # b*  - [    -0.000000001588614,    -0.123638358700887,     0.068770762709915 ] # c*unit_cell:  lattice:  - [     9.339338950000000,    -0.000000120000000,     0.000000000000000 ] # a  - [    -4.669669360000000,     8.088104840000000,     0.000000000000000 ] # b  - [     0.000000000000000,     0.000000000000000,    14.541063100000001 ] # c  points:  - symbol: Te # 1    coordinates: [  0.666666670000000,  0.333333330000000,  0.152388710000000 ]    mass: 127.600000    reduced_to: 1  - symbol: Te # 2    coordinates: [  0.666666670000000,  0.333333330000000,  0.514277960000000 ]    mass: 127.600000    reduced_to: 2  - symbol: Te # 3    coordinates: [  0.406005010000000,  0.353400490000000,  0.752479380000000 ]    mass: 127.600000    reduced_to: 3  - symbol: Te # 4    coordinates: [  0.646599510000000,  0.052604520000000,  0.752479380000000 ]    mass: 127.600000    reduced_to: 4  - symbol: Te # 5    coordinates: [  0.947395480000000,  0.593994990000000,  0.752479380000000 ]    mass: 127.600000    reduced_to: 5  - symbol: Te # 6    coordinates: [  0.927328330000000,  0.313266170000000,  0.914187280000000 ]    mass: 127.600000    reduced_to: 6  - symbol: Te # 7    coordinates: [  0.686733830000000,  0.614062140000000,  0.914187280000000 ]    mass: 127.600000    reduced_to: 7  - symbol: Te # 8    coordinates: [  0.385937860000000,  0.072671670000000,  0.914187280000000 ]    mass: 127.600000    reduced_to: 8  - symbol: Te # 9    coordinates: [  0.333333330000000,  0.666666670000000,  0.485722040000000 ]    mass: 127.600000    reduced_to: 1  - symbol: Te # 10    coordinates: [  0.333333330000000,  0.666666670000000,  0.847611290000000 ]    mass: 127.600000    reduced_to: 2  - symbol: Te # 11    coordinates: [  0.072671670000000,  0.686733830000000,  0.085812720000000 ]    mass: 127.600000    reduced_to: 3  - symbol: Te # 12    coordinates: [  0.313266170000000,  0.385937860000000,  0.085812720000000 ]    mass: 127.600000    reduced_to: 4  - symbol: Te # 13    coordinates: [  0.614062140000000,  0.927328330000000,  0.085812720000000 ]    mass: 127.600000    reduced_to: 5  - symbol: Te # 14    coordinates: [  0.593994990000000,  0.646599510000000,  0.247520620000000 ]    mass: 127.600000    reduced_to: 6  - symbol: Te # 15    coordinates: [  0.353400490000000,  0.947395480000000,  0.247520620000000 ]    mass: 127.600000    reduced_to: 7  - symbol: Te # 16    coordinates: [  0.052604520000000,  0.406005010000000,  0.247520620000000 ]    mass: 127.600000    reduced_to: 8  - symbol: Te # 17    coordinates: [  0.000000000000000,  0.000000000000000,  0.819055380000000 ]    mass: 127.600000    reduced_to: 1  - symbol: Te # 18    coordinates: [  0.000000000000000,  0.000000000000000,  0.180944620000000 ]    mass: 127.600000    reduced_to: 2  - symbol: Te # 19    coordinates: [  0.739338340000000,  0.020067160000000,  0.419146050000000 ]    mass: 127.600000    reduced_to: 3  - symbol: Te # 20    coordinates: [  0.979932840000000,  0.719271190000000,  0.419146050000000 ]    mass: 127.600000    reduced_to: 4  - symbol: Te # 21    coordinates: [  0.280728810000000,  0.260661660000000,  0.419146050000000 ]    mass: 127.600000    reduced_to: 5  - symbol: Te # 22    coordinates: [  0.260661660000000,  0.979932840000000,  0.580853950000000 ]    mass: 127.600000    reduced_to: 6  - symbol: Te # 23    coordinates: [  0.020067160000000,  0.280728810000000,  0.580853950000000 ]    mass: 127.600000    reduced_to: 7  - symbol: Te # 24    coordinates: [  0.719271190000000,  0.739338340000000,  0.580853950000000 ]    mass: 127.600000    reduced_to: 8  - symbol: O  # 25    coordinates: [  0.031926810000000,  0.180241060000000,  0.900995000000000 ]    mass: 15.999400    reduced_to: 25  - symbol: O  # 26    coordinates: [  0.819758940000000,  0.851685760000000,  0.900995000000000 ]    mass: 15.999400    reduced_to: 26  - symbol: O  # 27    coordinates: [  0.148314240000000,  0.968073190000000,  0.900995000000000 ]    mass: 15.999400    reduced_to: 27  - symbol: O  # 28    coordinates: [  0.301406520000000,  0.486425610000000,  0.765671670000000 ]    mass: 15.999400    reduced_to: 28  - symbol: O  # 29    coordinates: [  0.513574390000000,  0.814980910000000,  0.765671670000000 ]    mass: 15.999400    reduced_to: 29  - symbol: O  # 30    coordinates: [  0.185019090000000,  0.698593480000000,  0.765671670000000 ]    mass: 15.999400    reduced_to: 30  - symbol: O  # 31    coordinates: [  0.821188680000000,  0.313053350000000,  0.593275150000000 ]    mass: 15.999400    reduced_to: 31  - symbol: O  # 32    coordinates: [  0.686946650000000,  0.508135330000000,  0.593275150000000 ]    mass: 15.999400    reduced_to: 32  - symbol: O  # 33    coordinates: [  0.491864670000000,  0.178811320000000,  0.593275150000000 ]    mass: 15.999400    reduced_to: 33  - symbol: O  # 34    coordinates: [  0.512144650000000,  0.353613310000000,  0.073391510000000 ]    mass: 15.999400    reduced_to: 34  - symbol: O  # 35    coordinates: [  0.646386690000000,  0.158531340000000,  0.073391510000000 ]    mass: 15.999400    reduced_to: 35  - symbol: O  # 36    coordinates: [  0.841468660000000,  0.487855350000000,  0.073391510000000 ]    mass: 15.999400    reduced_to: 36  - symbol: O  # 37    coordinates: [  0.920304590000000,  0.359203450000000,  0.785586440000000 ]    mass: 15.999400    reduced_to: 37  - symbol: O  # 38    coordinates: [  0.640796550000000,  0.561101130000000,  0.785586440000000 ]    mass: 15.999400    reduced_to: 38  - symbol: O  # 39    coordinates: [  0.438898870000000,  0.079695410000000,  0.785586440000000 ]    mass: 15.999400    reduced_to: 39  - symbol: O  # 40    coordinates: [  0.413028740000000,  0.307463210000000,  0.881080220000000 ]    mass: 15.999400    reduced_to: 40  - symbol: O  # 41    coordinates: [  0.692536790000000,  0.105565540000000,  0.881080220000000 ]    mass: 15.999400    reduced_to: 41  - symbol: O  # 42    coordinates: [  0.894434460000000,  0.586971260000000,  0.881080220000000 ]    mass: 15.999400    reduced_to: 42  - symbol: O  # 43    coordinates: [  0.698593480000000,  0.513574390000000,  0.234328330000000 ]    mass: 15.999400    reduced_to: 25  - symbol: O  # 44    coordinates: [  0.486425610000000,  0.185019090000000,  0.234328330000000 ]    mass: 15.999400    reduced_to: 26  - symbol: O  # 45    coordinates: [  0.814980910000000,  0.301406520000000,  0.234328330000000 ]    mass: 15.999400    reduced_to: 27  - symbol: O  # 46    coordinates: [  0.968073190000000,  0.819758940000000,  0.099005000000000 ]    mass: 15.999400    reduced_to: 28  - symbol: O  # 47    coordinates: [  0.180241060000000,  0.148314240000000,  0.099005000000000 ]    mass: 15.999400    reduced_to: 29  - symbol: O  # 48    coordinates: [  0.851685760000000,  0.031926810000000,  0.099005000000000 ]    mass: 15.999400    reduced_to: 30  - symbol: O  # 49    coordinates: [  0.487855350000000,  0.646386690000000,  0.926608490000000 ]    mass: 15.999400    reduced_to: 31  - symbol: O  # 50    coordinates: [  0.353613310000000,  0.841468660000000,  0.926608490000000 ]    mass: 15.999400    reduced_to: 32  - symbol: O  # 51    coordinates: [  0.158531340000000,  0.512144650000000,  0.926608490000000 ]    mass: 15.999400    reduced_to: 33  - symbol: O  # 52    coordinates: [  0.178811320000000,  0.686946650000000,  0.406724850000000 ]    mass: 15.999400    reduced_to: 34  - symbol: O  # 53    coordinates: [  0.313053350000000,  0.491864670000000,  0.406724850000000 ]    mass: 15.999400    reduced_to: 35  - symbol: O  # 54    coordinates: [  0.508135330000000,  0.821188680000000,  0.406724850000000 ]    mass: 15.999400    reduced_to: 36  - symbol: O  # 55    coordinates: [  0.586971260000000,  0.692536790000000,  0.118919780000000 ]    mass: 15.999400    reduced_to: 37  - symbol: O  # 56    coordinates: [  0.307463210000000,  0.894434460000000,  0.118919780000000 ]    mass: 15.999400    reduced_to: 38  - symbol: O  # 57    coordinates: [  0.105565540000000,  0.413028740000000,  0.118919780000000 ]    mass: 15.999400    reduced_to: 39  - symbol: O  # 58    coordinates: [  0.079695410000000,  0.640796550000000,  0.214413560000000 ]    mass: 15.999400    reduced_to: 40  - symbol: O  # 59    coordinates: [  0.359203450000000,  0.438898870000000,  0.214413560000000 ]    mass: 15.999400    reduced_to: 41  - symbol: O  # 60    coordinates: [  0.561101130000000,  0.920304590000000,  0.214413560000000 ]    mass: 15.999400    reduced_to: 42  - symbol: O  # 61    coordinates: [  0.365260140000000,  0.846907720000000,  0.567661660000000 ]    mass: 15.999400    reduced_to: 25  - symbol: O  # 62    coordinates: [  0.153092280000000,  0.518352420000000,  0.567661660000000 ]    mass: 15.999400    reduced_to: 26  - symbol: O  # 63    coordinates: [  0.481647580000000,  0.634739860000000,  0.567661660000000 ]    mass: 15.999400    reduced_to: 27  - symbol: O  # 64    coordinates: [  0.634739860000000,  0.153092280000000,  0.432338340000000 ]    mass: 15.999400    reduced_to: 28  - symbol: O  # 65    coordinates: [  0.846907720000000,  0.481647580000000,  0.432338340000000 ]    mass: 15.999400    reduced_to: 29  - symbol: O  # 66    coordinates: [  0.518352420000000,  0.365260140000000,  0.432338340000000 ]    mass: 15.999400    reduced_to: 30  - symbol: O  # 67    coordinates: [  0.154522010000000,  0.979720020000000,  0.259941820000000 ]    mass: 15.999400    reduced_to: 31  - symbol: O  # 68    coordinates: [  0.020279980000000,  0.174801990000000,  0.259941820000000 ]    mass: 15.999400    reduced_to: 32  - symbol: O  # 69    coordinates: [  0.825198010000000,  0.845477990000000,  0.259941820000000 ]    mass: 15.999400    reduced_to: 33  - symbol: O  # 70    coordinates: [  0.845477990000000,  0.020279980000000,  0.740058180000000 ]    mass: 15.999400    reduced_to: 34  - symbol: O  # 71    coordinates: [  0.979720020000000,  0.825198010000000,  0.740058180000000 ]    mass: 15.999400    reduced_to: 35  - symbol: O  # 72    coordinates: [  0.174801990000000,  0.154522010000000,  0.740058180000000 ]    mass: 15.999400    reduced_to: 36  - symbol: O  # 73    coordinates: [  0.253637920000000,  0.025870120000000,  0.452253110000000 ]    mass: 15.999400    reduced_to: 37  - symbol: O  # 74    coordinates: [  0.974129880000000,  0.227767790000000,  0.452253110000000 ]    mass: 15.999400    reduced_to: 38  - symbol: O  # 75    coordinates: [  0.772232210000000,  0.746362080000000,  0.452253110000000 ]    mass: 15.999400    reduced_to: 39  - symbol: O  # 76    coordinates: [  0.746362080000000,  0.974129880000000,  0.547746890000000 ]    mass: 15.999400    reduced_to: 40  - symbol: O  # 77    coordinates: [  0.025870120000000,  0.772232210000000,  0.547746890000000 ]    mass: 15.999400    reduced_to: 41  - symbol: O  # 78    coordinates: [  0.227767790000000,  0.253637920000000,  0.547746890000000 ]    mass: 15.999400    reduced_to: 42supercell:  lattice:  - [     9.339338950000000,    -0.000000120000000,     0.000000000000000 ] # a  - [    -4.669669360000000,     8.088104840000000,     0.000000000000000 ] # b  - [     0.000000000000000,     0.000000000000000,    14.541063100000001 ] # c  points:  - symbol: Te # 1    coordinates: [  0.666666670000000,  0.333333330000000,  0.152388710000000 ]    mass: 127.600000    reduced_to: 1  - symbol: Te # 2    coordinates: [  0.666666670000000,  0.333333330000000,  0.514277960000000 ]    mass: 127.600000    reduced_to: 2  - symbol: Te # 3    coordinates: [  0.406005010000000,  0.353400490000000,  0.752479380000000 ]    mass: 127.600000    reduced_to: 3  - symbol: Te # 4    coordinates: [  0.646599510000000,  0.052604520000000,  0.752479380000000 ]    mass: 127.600000    reduced_to: 4  - symbol: Te # 5    coordinates: [  0.947395480000000,  0.593994990000000,  0.752479380000000 ]    mass: 127.600000    reduced_to: 5  - symbol: Te # 6    coordinates: [  0.927328330000000,  0.313266170000000,  0.914187280000000 ]    mass: 127.600000    reduced_to: 6  - symbol: Te # 7    coordinates: [  0.686733830000000,  0.614062140000000,  0.914187280000000 ]    mass: 127.600000    reduced_to: 7  - symbol: Te # 8    coordinates: [  0.385937860000000,  0.072671670000000,  0.914187280000000 ]    mass: 127.600000    reduced_to: 8  - symbol: Te # 9    coordinates: [  0.333333330000000,  0.666666670000000,  0.485722040000000 ]    mass: 127.600000    reduced_to: 1  - symbol: Te # 10    coordinates: [  0.333333330000000,  0.666666670000000,  0.847611290000000 ]    mass: 127.600000    reduced_to: 2  - symbol: Te # 11    coordinates: [  0.072671670000000,  0.686733830000000,  0.085812720000000 ]    mass: 127.600000    reduced_to: 3  - symbol: Te # 12    coordinates: [  0.313266170000000,  0.385937860000000,  0.085812720000000 ]    mass: 127.600000    reduced_to: 4  - symbol: Te # 13    coordinates: [  0.614062140000000,  0.927328330000000,  0.085812720000000 ]    mass: 127.600000    reduced_to: 5  - symbol: Te # 14    coordinates: [  0.593994990000000,  0.646599510000000,  0.247520620000000 ]    mass: 127.600000    reduced_to: 6  - symbol: Te # 15    coordinates: [  0.353400490000000,  0.947395480000000,  0.247520620000000 ]    mass: 127.600000    reduced_to: 7  - symbol: Te # 16    coordinates: [  0.052604520000000,  0.406005010000000,  0.247520620000000 ]    mass: 127.600000    reduced_to: 8  - symbol: Te # 17    coordinates: [  0.000000000000000,  0.000000000000000,  0.819055380000000 ]    mass: 127.600000    reduced_to: 1  - symbol: Te # 18    coordinates: [  0.000000000000000,  0.000000000000000,  0.180944620000000 ]    mass: 127.600000    reduced_to: 2  - symbol: Te # 19    coordinates: [  0.739338340000000,  0.020067160000000,  0.419146050000000 ]    mass: 127.600000    reduced_to: 3  - symbol: Te # 20    coordinates: [  0.979932840000000,  0.719271190000000,  0.419146050000000 ]    mass: 127.600000    reduced_to: 4  - symbol: Te # 21    coordinates: [  0.280728810000000,  0.260661660000000,  0.419146050000000 ]    mass: 127.600000    reduced_to: 5  - symbol: Te # 22    coordinates: [  0.260661660000000,  0.979932840000000,  0.580853950000000 ]    mass: 127.600000    reduced_to: 6  - symbol: Te # 23    coordinates: [  0.020067160000000,  0.280728810000000,  0.580853950000000 ]    mass: 127.600000    reduced_to: 7  - symbol: Te # 24    coordinates: [  0.719271190000000,  0.739338340000000,  0.580853950000000 ]    mass: 127.600000    reduced_to: 8  - symbol: O  # 25    coordinates: [  0.031926810000000,  0.180241060000000,  0.900995000000000 ]    mass: 15.999400    reduced_to: 25  - symbol: O  # 26    coordinates: [  0.819758940000000,  0.851685760000000,  0.900995000000000 ]    mass: 15.999400    reduced_to: 26  - symbol: O  # 27    coordinates: [  0.148314240000000,  0.968073190000000,  0.900995000000000 ]    mass: 15.999400    reduced_to: 27  - symbol: O  # 28    coordinates: [  0.301406520000000,  0.486425610000000,  0.765671670000000 ]    mass: 15.999400    reduced_to: 28  - symbol: O  # 29    coordinates: [  0.513574390000000,  0.814980910000000,  0.765671670000000 ]    mass: 15.999400    reduced_to: 29  - symbol: O  # 30    coordinates: [  0.185019090000000,  0.698593480000000,  0.765671670000000 ]    mass: 15.999400    reduced_to: 30  - symbol: O  # 31    coordinates: [  0.821188680000000,  0.313053350000000,  0.593275150000000 ]    mass: 15.999400    reduced_to: 31  - symbol: O  # 32    coordinates: [  0.686946650000000,  0.508135330000000,  0.593275150000000 ]    mass: 15.999400    reduced_to: 32  - symbol: O  # 33    coordinates: [  0.491864670000000,  0.178811320000000,  0.593275150000000 ]    mass: 15.999400    reduced_to: 33  - symbol: O  # 34    coordinates: [  0.512144650000000,  0.353613310000000,  0.073391510000000 ]    mass: 15.999400    reduced_to: 34  - symbol: O  # 35    coordinates: [  0.646386690000000,  0.158531340000000,  0.073391510000000 ]    mass: 15.999400    reduced_to: 35  - symbol: O  # 36    coordinates: [  0.841468660000000,  0.487855350000000,  0.073391510000000 ]    mass: 15.999400    reduced_to: 36  - symbol: O  # 37    coordinates: [  0.920304590000000,  0.359203450000000,  0.785586440000000 ]    mass: 15.999400    reduced_to: 37  - symbol: O  # 38    coordinates: [  0.640796550000000,  0.561101130000000,  0.785586440000000 ]    mass: 15.999400    reduced_to: 38  - symbol: O  # 39    coordinates: [  0.438898870000000,  0.079695410000000,  0.785586440000000 ]    mass: 15.999400    reduced_to: 39  - symbol: O  # 40    coordinates: [  0.413028740000000,  0.307463210000000,  0.881080220000000 ]    mass: 15.999400    reduced_to: 40  - symbol: O  # 41    coordinates: [  0.692536790000000,  0.105565540000000,  0.881080220000000 ]    mass: 15.999400    reduced_to: 41  - symbol: O  # 42    coordinates: [  0.894434460000000,  0.586971260000000,  0.881080220000000 ]    mass: 15.999400    reduced_to: 42  - symbol: O  # 43    coordinates: [  0.698593480000000,  0.513574390000000,  0.234328330000000 ]    mass: 15.999400    reduced_to: 25  - symbol: O  # 44    coordinates: [  0.486425610000000,  0.185019090000000,  0.234328330000000 ]    mass: 15.999400    reduced_to: 26  - symbol: O  # 45    coordinates: [  0.814980910000000,  0.301406520000000,  0.234328330000000 ]    mass: 15.999400    reduced_to: 27  - symbol: O  # 46    coordinates: [  0.968073190000000,  0.819758940000000,  0.099005000000000 ]    mass: 15.999400    reduced_to: 28  - symbol: O  # 47    coordinates: [  0.180241060000000,  0.148314240000000,  0.099005000000000 ]    mass: 15.999400    reduced_to: 29  - symbol: O  # 48    coordinates: [  0.851685760000000,  0.031926810000000,  0.099005000000000 ]    mass: 15.999400    reduced_to: 30  - symbol: O  # 49    coordinates: [  0.487855350000000,  0.646386690000000,  0.926608490000000 ]    mass: 15.999400    reduced_to: 31  - symbol: O  # 50    coordinates: [  0.353613310000000,  0.841468660000000,  0.926608490000000 ]    mass: 15.999400    reduced_to: 32  - symbol: O  # 51    coordinates: [  0.158531340000000,  0.512144650000000,  0.926608490000000 ]    mass: 15.999400    reduced_to: 33  - symbol: O  # 52    coordinates: [  0.178811320000000,  0.686946650000000,  0.406724850000000 ]    mass: 15.999400    reduced_to: 34  - symbol: O  # 53    coordinates: [  0.313053350000000,  0.491864670000000,  0.406724850000000 ]    mass: 15.999400    reduced_to: 35  - symbol: O  # 54    coordinates: [  0.508135330000000,  0.821188680000000,  0.406724850000000 ]    mass: 15.999400    reduced_to: 36  - symbol: O  # 55    coordinates: [  0.586971260000000,  0.692536790000000,  0.118919780000000 ]    mass: 15.999400    reduced_to: 37  - symbol: O  # 56    coordinates: [  0.307463210000000,  0.894434460000000,  0.118919780000000 ]    mass: 15.999400    reduced_to: 38  - symbol: O  # 57    coordinates: [  0.105565540000000,  0.413028740000000,  0.118919780000000 ]    mass: 15.999400    reduced_to: 39  - symbol: O  # 58    coordinates: [  0.079695410000000,  0.640796550000000,  0.214413560000000 ]    mass: 15.999400    reduced_to: 40  - symbol: O  # 59    coordinates: [  0.359203450000000,  0.438898870000000,  0.214413560000000 ]    mass: 15.999400    reduced_to: 41  - symbol: O  # 60    coordinates: [  0.561101130000000,  0.920304590000000,  0.214413560000000 ]    mass: 15.999400    reduced_to: 42  - symbol: O  # 61    coordinates: [  0.365260140000000,  0.846907720000000,  0.567661660000000 ]    mass: 15.999400    reduced_to: 25  - symbol: O  # 62    coordinates: [  0.153092280000000,  0.518352420000000,  0.567661660000000 ]    mass: 15.999400    reduced_to: 26  - symbol: O  # 63    coordinates: [  0.481647580000000,  0.634739860000000,  0.567661660000000 ]    mass: 15.999400    reduced_to: 27  - symbol: O  # 64    coordinates: [  0.634739860000000,  0.153092280000000,  0.432338340000000 ]    mass: 15.999400    reduced_to: 28  - symbol: O  # 65    coordinates: [  0.846907720000000,  0.481647580000000,  0.432338340000000 ]    mass: 15.999400    reduced_to: 29  - symbol: O  # 66    coordinates: [  0.518352420000000,  0.365260140000000,  0.432338340000000 ]    mass: 15.999400    reduced_to: 30  - symbol: O  # 67    coordinates: [  0.154522010000000,  0.979720020000000,  0.259941820000000 ]    mass: 15.999400    reduced_to: 31  - symbol: O  # 68    coordinates: [  0.020279980000000,  0.174801990000000,  0.259941820000000 ]    mass: 15.999400    reduced_to: 32  - symbol: O  # 69    coordinates: [  0.825198010000000,  0.845477990000000,  0.259941820000000 ]    mass: 15.999400    reduced_to: 33  - symbol: O  # 70    coordinates: [  0.845477990000000,  0.020279980000000,  0.740058180000000 ]    mass: 15.999400    reduced_to: 34  - symbol: O  # 71    coordinates: [  0.979720020000000,  0.825198010000000,  0.740058180000000 ]    mass: 15.999400    reduced_to: 35  - symbol: O  # 72    coordinates: [  0.174801990000000,  0.154522010000000,  0.740058180000000 ]    mass: 15.999400    reduced_to: 36  - symbol: O  # 73    coordinates: [  0.253637920000000,  0.025870120000000,  0.452253110000000 ]    mass: 15.999400    reduced_to: 37  - symbol: O  # 74    coordinates: [  0.974129880000000,  0.227767790000000,  0.452253110000000 ]    mass: 15.999400    reduced_to: 38  - symbol: O  # 75    coordinates: [  0.772232210000000,  0.746362080000000,  0.452253110000000 ]    mass: 15.999400    reduced_to: 39  - symbol: O  # 76    coordinates: [  0.746362080000000,  0.974129880000000,  0.547746890000000 ]    mass: 15.999400    reduced_to: 40  - symbol: O  # 77    coordinates: [  0.025870120000000,  0.772232210000000,  0.547746890000000 ]    mass: 15.999400    reduced_to: 41  - symbol: O  # 78    coordinates: [  0.227767790000000,  0.253637920000000,  0.547746890000000 ]    mass: 15.999400    reduced_to: 42displacements:- atom:    1  displacement:    [   0.0100000000000000, -0.0000000001284888,  0.0000000000000000 ]  forces:  - [  -0.3792784300000000, -0.0000306900000000,  0.0003853900000000 ]  - [  -0.0030009800000000,  0.0000010900000000,  0.0000914400000000 ]  - [   0.0009153500000000, -0.0007327700000000,  0.0014165100000000 ]  - [  -0.0009456600000000, -0.0006327600000000, -0.0007214000000000 ]  - [  -0.0001962900000000,  0.0011387700000000, -0.0004470200000000 ]  - [   0.0054643600000000, -0.0012996700000000, -0.0087240100000000 ]  - [  -0.0062799300000000, -0.0047183800000000,  0.0044527700000000 ]  - [  -0.0030912200000000,  0.0069808200000000,  0.0040040800000000 ]  - [   0.0002156500000000,  0.0005942100000000, -0.0000938400000000 ]  - [   0.0021273100000000,  0.0000004300000000,  0.0000902700000000 ]  - [   0.0217705700000000,  0.0390879900000000, -0.0011110600000000 ]  - [   0.0764814500000000, -0.0066595100000000, -0.0025347700000000 ]  - [   0.0092821000000000, -0.0312631500000000,  0.0036392200000000 ]  - [   0.0180456800000000, -0.0269339700000000, -0.0105130700000000 ]  - [   0.0033665400000000,  0.0331669800000000,  0.0036105900000000 ]  - [   0.0633831900000000,  0.0155954300000000,  0.0070023600000000 ]  - [   0.0002148700000000, -0.0005948500000000, -0.0000993600000000 ]  - [   0.0117400500000000, -0.0000415200000000,  0.0001332300000000 ]  - [  -0.0008765900000000, -0.0042501300000000,  0.0034284400000000 ]  - [  -0.0011413400000000,  0.0019439500000000, -0.0007691600000000 ]  - [   0.0040682600000000, -0.0007414700000000, -0.0024006900000000 ]  - [  -0.0002015700000000,  0.0006488000000000, -0.0006373300000000 ]  - [   0.0009459900000000,  0.0003555700000000,  0.0005904200000000 ]  - [   0.0004012100000000, -0.0006782900000000, -0.0002207500000000 ]  - [  -0.0020751100000000,  0.0017957000000000,  0.0011834100000000 ]  - [   0.0007677200000000,  0.0023900700000000, -0.0008958400000000 ]  - [  -0.0002213500000000, -0.0001296200000000,  0.0000473500000000 ]  - [  -0.0007184600000000,  0.0007295600000000,  0.0002081500000000 ]  - [   0.0000948600000000,  0.0006721800000000, -0.0003443900000000 ]  - [  -0.0002817100000000, -0.0002592800000000, -0.0002069300000000 ]  - [   0.0000850400000000, -0.0000133100000000, -0.0000789900000000 ]  - [   0.0004441100000000,  0.0002578800000000,  0.0000090500000000 ]  - [   0.0003215400000000, -0.0000926000000000,  0.0001215300000000 ]  - [   0.0689391800000000, -0.0027398900000000,  0.0494932900000000 ]  - [   0.0294250800000000, -0.0194170200000000, -0.0226558300000000 ]  - [   0.0369003200000000,  0.0258605500000000, -0.0298214800000000 ]  - [  -0.0000462900000000, -0.0008510800000000,  0.0016844000000000 ]  - [   0.0005774900000000,  0.0000912700000000, -0.0006198000000000 ]  - [   0.0007488700000000, -0.0001544000000000, -0.0011930800000000 ]  - [   0.0000914400000000, -0.0000566400000000, -0.0029337800000000 ]  - [   0.0009456900000000,  0.0013261100000000,  0.0018827000000000 ]  - [   0.0020475400000000, -0.0008702500000000,  0.0011926500000000 ]  - [   0.0201562000000000, -0.0135848500000000, -0.0106235100000000 ]  - [   0.0378149400000000,  0.0114913400000000, -0.0272499000000000 ]  - [   0.0534598200000000, -0.0164972700000000,  0.0406076300000000 ]  - [   0.0044833100000000, -0.0095084600000000, -0.0045911500000000 ]  - [  -0.0099879400000000, -0.0105501900000000,  0.0049844400000000 ]  - [  -0.0036205600000000,  0.0023159800000000, -0.0007342400000000 ]  - [  -0.0004252500000000,  0.0005924100000000, -0.0007485000000000 ]  - [   0.0004680700000000, -0.0024650700000000, -0.0002828100000000 ]  - [  -0.0027978400000000, -0.0016167700000000,  0.0010744700000000 ]  - [   0.0001056500000000, -0.0012262500000000,  0.0003859800000000 ]  - [  -0.0015699300000000,  0.0003931400000000, -0.0006231800000000 ]  - [   0.0008498700000000,  0.0009419900000000,  0.0001923700000000 ]  - [  -0.0048781600000000,  0.0113772100000000, -0.0051841200000000 ]  - [  -0.0026723000000000, -0.0106751600000000, -0.0095105600000000 ]  - [  -0.0233129000000000, -0.0008236900000000,  0.0145064200000000 ]  - [  -0.0054854300000000, -0.0129289700000000, -0.0025392600000000 ]  - [  -0.0154708900000000,  0.0046191700000000,  0.0076202800000000 ]  - [   0.0050992400000000,  0.0038520100000000, -0.0049364800000000 ]  - [   0.0001396800000000, -0.0003430200000000,  0.0000035200000000 ]  - [  -0.0001567100000000, -0.0004003900000000,  0.0003371300000000 ]  - [  -0.0001346600000000,  0.0001019800000000,  0.0000237100000000 ]  - [   0.0014567400000000,  0.0003790700000000, -0.0009838300000000 ]  - [   0.0009605300000000, -0.0011051500000000, -0.0008680600000000 ]  - [   0.0000068500000000, -0.0001482800000000,  0.0014868600000000 ]  - [  -0.0059354000000000, -0.0010711300000000, -0.0000569200000000 ]  - [  -0.0095489600000000,  0.0104002500000000,  0.0019694200000000 ]  - [   0.0020380800000000,  0.0078996800000000, -0.0018644700000000 ]  - [  -0.0002669700000000,  0.0002493100000000, -0.0000286800000000 ]  - [   0.0001944500000000, -0.0007431900000000, -0.0000133600000000 ]  - [  -0.0007365400000000, -0.0007264500000000, -0.0000049800000000 ]  - [  -0.0002548400000000, -0.0005928500000000,  0.0008127800000000 ]  - [  -0.0004312800000000,  0.0000593600000000, -0.0013369800000000 ]  - [  -0.0001114600000000,  0.0006504400000000,  0.0004058800000000 ]  - [   0.0001627800000000,  0.0007258400000000, -0.0007430800000000 ]  - [  -0.0003456900000000, -0.0003716300000000,  0.0001268500000000 ]  - [  -0.0007090100000000, -0.0001465400000000,  0.0007416500000000 ]- atom:    1  displacement:    [  -0.0100000000000000,  0.0000000001284888,  0.0000000000000000 ]  forces:  - [   0.3803769800000000, -0.0000305300000000,  0.0005081400000000 ]  - [   0.0029958600000000,  0.0000012300000000,  0.0000934000000000 ]  - [  -0.0009425900000000,  0.0005109100000000, -0.0012545100000000 ]  - [   0.0011513000000000,  0.0007206600000000,  0.0008888700000000 ]  - [   0.0000123300000000, -0.0010033100000000,  0.0006124900000000 ]  - [  -0.0054607100000000,  0.0015184400000000,  0.0085233000000000 ]  - [   0.0060930600000000,  0.0046187200000000, -0.0046162700000000 ]  - [   0.0032834500000000, -0.0071030600000000, -0.0041714400000000 ]  - [  -0.0002136000000000, -0.0005894100000000, -0.0000958200000000 ]  - [  -0.0021209900000000,  0.0000007100000000,  0.0000927500000000 ]  - [  -0.0217471400000000, -0.0391728500000000,  0.0011505900000000 ]  - [  -0.0767324800000000,  0.0069050300000000,  0.0023903600000000 ]  - [  -0.0095657200000000,  0.0313722200000000, -0.0035506000000000 ]  - [  -0.0179016200000000,  0.0273457800000000,  0.0104810400000000 ]  - [  -0.0035876500000000, -0.0333864100000000, -0.0036492800000000 ]  - [  -0.0627075100000000, -0.0156358200000000, -0.0067331200000000 ]  - [  -0.0002141900000000,  0.0005887400000000, -0.0001014700000000 ]  - [  -0.0117512400000000, -0.0000420500000000,  0.0001348600000000 ]  - [   0.0008705600000000,  0.0040130200000000, -0.0032599400000000 ]  - [   0.0013360500000000, -0.0018361400000000,  0.0009316200000000 ]  - [  -0.0042551700000000,  0.0008523200000000,  0.0025859700000000 ]  - [   0.0002089100000000, -0.0004216500000000,  0.0004589700000000 ]  - [  -0.0011453900000000, -0.0004585000000000, -0.0007661800000000 ]  - [  -0.0002118000000000,  0.0005608000000000,  0.0000412900000000 ]  - [   0.0019603800000000, -0.0019192800000000, -0.0009582800000000 ]  - [  -0.0005987200000000, -0.0024243500000000,  0.0011180400000000 ]  - [   0.0001716000000000,  0.0002937300000000,  0.0001753900000000 ]  - [   0.0008427600000000, -0.0005986100000000, -0.0004369500000000 ]  - [  -0.0002699600000000, -0.0006283300000000,  0.0001153700000000 ]  - [   0.0003301200000000,  0.0000847100000000, -0.0000218500000000 ]  - [  -0.0000754600000000, -0.0001201900000000,  0.0001132700000000 ]  - [  -0.0003298600000000, -0.0001856700000000,  0.0000243000000000 ]  - [  -0.0004410400000000,  0.0001536100000000, -0.0000899100000000 ]  - [  -0.0740624600000000,  0.0034395100000000, -0.0538515100000000 ]  - [  -0.0296012800000000,  0.0189053200000000,  0.0222610600000000 ]  - [  -0.0362287600000000, -0.0245596200000000,  0.0285422000000000 ]  - [  -0.0002824300000000,  0.0004059600000000, -0.0017669100000000 ]  - [  -0.0000249400000000, -0.0001562400000000,  0.0005278000000000 ]  - [  -0.0009699800000000,  0.0006667900000000,  0.0011002400000000 ]  - [   0.0002380000000000,  0.0004991900000000,  0.0030379900000000 ]  - [  -0.0014938300000000, -0.0012594500000000, -0.0017911100000000 ]  - [  -0.0018246100000000,  0.0003568800000000, -0.0010984600000000 ]  - [  -0.0202617700000000,  0.0136941800000000,  0.0110382800000000 ]  - [  -0.0382887800000000, -0.0127030700000000,  0.0285806900000000 ]  - [  -0.0494161700000000,  0.0159783300000000, -0.0369401300000000 ]  - [  -0.0043712500000000,  0.0096247800000000,  0.0043620900000000 ]  - [   0.0099044000000000,  0.0106236100000000, -0.0052150100000000 ]  - [   0.0036573500000000, -0.0024360500000000,  0.0005132500000000 ]  - [   0.0004259600000000, -0.0007251300000000,  0.0007757900000000 ]  - [  -0.0003616500000000,  0.0025332800000000,  0.0003105000000000 ]  - [   0.0026796800000000,  0.0016701800000000, -0.0010474700000000 ]  - [  -0.0001131600000000,  0.0013572700000000, -0.0004126900000000 ]  - [   0.0014579100000000, -0.0004700600000000,  0.0005910800000000 ]  - [  -0.0007274500000000, -0.0010005600000000, -0.0002187300000000 ]  - [   0.0045704100000000, -0.0118873700000000,  0.0050734000000000 ]  - [   0.0032097700000000,  0.0106424200000000,  0.0093773400000000 ]  - [   0.0229683200000000,  0.0012894200000000, -0.0146438700000000 ]  - [   0.0057536600000000,  0.0133380300000000,  0.0026509100000000 ]  - [   0.0150123800000000, -0.0046886400000000, -0.0075337000000000 ]  - [  -0.0048518100000000, -0.0043336500000000,  0.0050372500000000 ]  - [  -0.0002437600000000,  0.0002264600000000,  0.0002392500000000 ]  - [   0.0003082200000000,  0.0003669300000000, -0.0000936100000000 ]  - [   0.0000867100000000,  0.0000452100000000,  0.0002182500000000 ]  - [  -0.0013562000000000, -0.0002560700000000,  0.0007391400000000 ]  - [  -0.0011115700000000,  0.0011288600000000,  0.0006253100000000 ]  - [   0.0000393300000000, -0.0000006000000000, -0.0017291300000000 ]  - [   0.0059218600000000,  0.0009583200000000,  0.0000902700000000 ]  - [   0.0096521600000000, -0.0103363700000000, -0.0019461300000000 ]  - [  -0.0021520900000000, -0.0078229100000000,  0.0018999300000000 ]  - [   0.0002571300000000, -0.0001302500000000, -0.0000015300000000 ]  - [  -0.0002911600000000,  0.0006743700000000, -0.0000176000000000 ]  - [   0.0008422700000000,  0.0006765100000000, -0.0000230800000000 ]  - [  -0.0000771400000000,  0.0001513600000000, -0.0008947000000000 ]  - [   0.0009850900000000, -0.0001198200000000,  0.0012537900000000 ]  - [  -0.0001102100000000, -0.0001408700000000, -0.0004863000000000 ]  - [   0.0001680400000000, -0.0002818500000000,  0.0008301600000000 ]  - [  -0.0002054000000000,  0.0004339200000000, -0.0000401000000000 ]  - [   0.0009287100000000, -0.0003629800000000, -0.0006586400000000 ]- atom:    1  displacement:    [   0.0000000000000000,  0.0000000000000000,  0.0100000000000000 ]  forces:  - [   0.0000000000000000,  0.0000000000000000, -0.3811601000000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0111105100000000 ]  - [   0.0007891800000000,  0.0007398200000000,  0.0056543000000000 ]  - [  -0.0010352900000000,  0.0003135400000000,  0.0056543000000000 ]  - [   0.0002461100000000, -0.0010533600000000,  0.0056543000000000 ]  - [  -0.0062321400000000,  0.0009450600000000,  0.0086975300000000 ]  - [   0.0022976300000000, -0.0058697200000000,  0.0086975300000000 ]  - [   0.0039345200000000,  0.0049246700000000,  0.0086975300000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0056817100000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0055961500000000 ]  - [  -0.0251206500000000, -0.0352029300000000, -0.0209979000000000 ]  - [   0.0430469600000000, -0.0041536600000000, -0.0209979000000000 ]  - [  -0.0179263100000000,  0.0393565900000000, -0.0209979000000000 ]  - [  -0.0300646000000000,  0.0218641400000000, -0.0084481000000000 ]  - [  -0.0039026000000000, -0.0369687800000000, -0.0084481000000000 ]  - [   0.0339672000000000,  0.0151046300000000, -0.0084481000000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0056917700000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0248311300000000 ]  - [   0.0030311600000000, -0.0024828900000000,  0.0042304500000000 ]  - [   0.0006346600000000,  0.0038665100000000,  0.0042304500000000 ]  - [  -0.0036658200000000, -0.0013836200000000,  0.0042304500000000 ]  - [   0.0003414500000000,  0.0006305300000000,  0.0049811300000000 ]  - [  -0.0007167800000000, -0.0000195600000000,  0.0049811300000000 ]  - [   0.0003753300000000, -0.0006109700000000,  0.0049811300000000 ]  - [   0.0011845000000000, -0.0015081900000000, -0.0016164600000000 ]  - [   0.0007138900000000,  0.0017799000000000, -0.0016164600000000 ]  - [  -0.0018983800000000, -0.0002717100000000, -0.0016164600000000 ]  - [   0.0000949600000000, -0.0004467600000000, -0.0017703100000000 ]  - [   0.0003394300000000,  0.0003056100000000, -0.0017703100000000 ]  - [  -0.0004343800000000,  0.0001411500000000, -0.0017703100000000 ]  - [  -0.0006036600000000, -0.0000592600000000, -0.0028149000000000 ]  - [   0.0003531600000000, -0.0004931600000000, -0.0028149000000000 ]  - [   0.0002505100000000,  0.0005524200000000, -0.0028149000000000 ]  - [   0.0368563500000000, -0.0012641800000000,  0.0636534100000000 ]  - [  -0.0173333600000000,  0.0325506300000000,  0.0636534100000000 ]  - [  -0.0195229900000000, -0.0312864400000000,  0.0636534100000000 ]  - [  -0.0004469300000000,  0.0005161300000000, -0.0035783400000000 ]  - [  -0.0002235200000000, -0.0006451200000000, -0.0035783400000000 ]  - [   0.0006704500000000,  0.0001289900000000, -0.0035783400000000 ]  - [  -0.0008572100000000,  0.0010161100000000, -0.0034215100000000 ]  - [  -0.0004513700000000, -0.0012504200000000, -0.0034215100000000 ]  - [   0.0013085800000000,  0.0002343100000000, -0.0034215100000000 ]  - [  -0.0008285600000000,  0.0367817200000000,  0.0539169900000000 ]  - [  -0.0314396200000000, -0.0191084100000000,  0.0539169900000000 ]  - [   0.0322681800000000, -0.0176733100000000,  0.0539169900000000 ]  - [  -0.0028525700000000,  0.0060475200000000,  0.0069411300000000 ]  - [  -0.0038110200000000, -0.0054941600000000,  0.0069411300000000 ]  - [   0.0066635900000000, -0.0005533600000000,  0.0069411300000000 ]  - [  -0.0010351200000000, -0.0000360400000000, -0.0016037900000000 ]  - [   0.0005487700000000, -0.0008784200000000, -0.0016037900000000 ]  - [   0.0004863500000000,  0.0009144600000000, -0.0016037900000000 ]  - [  -0.0000980400000000,  0.0002306600000000, -0.0017704400000000 ]  - [  -0.0001507400000000, -0.0002002300000000, -0.0017704400000000 ]  - [   0.0002487800000000, -0.0000304300000000, -0.0017704400000000 ]  - [   0.0070211400000000, -0.0090708500000000,  0.0185802400000000 ]  - [   0.0043450100000000,  0.0106159100000000,  0.0185802400000000 ]  - [  -0.0113661600000000, -0.0015450600000000,  0.0185802400000000 ]  - [   0.0039723400000000, -0.0026617200000000,  0.0145365700000000 ]  - [   0.0003189500000000,  0.0047710100000000,  0.0145365700000000 ]  - [  -0.0042912900000000, -0.0021092900000000,  0.0145365700000000 ]  - [   0.0001878900000000, -0.0006065200000000, -0.0015677700000000 ]  - [   0.0004313100000000,  0.0004659800000000, -0.0015677700000000 ]  - [  -0.0006192000000000,  0.0001405400000000, -0.0015677700000000 ]  - [  -0.0008459400000000,  0.0006289000000000, -0.0034073400000000 ]  - [  -0.0001216700000000, -0.0010470500000000, -0.0034073400000000 ]  - [   0.0009676100000000,  0.0004181500000000, -0.0034073400000000 ]  - [   0.0065623000000000,  0.0024597700000000,  0.0037219000000000 ]  - [  -0.0054113700000000,  0.0044532400000000,  0.0037219000000000 ]  - [  -0.0011509300000000, -0.0069130100000000,  0.0037219000000000 ]  - [   0.0000545000000000, -0.0000064900000000, -0.0023258400000000 ]  - [  -0.0000216300000000,  0.0000504400000000, -0.0023258400000000 ]  - [  -0.0000328700000000, -0.0000439500000000, -0.0023258400000000 ]  - [  -0.0003782100000000,  0.0004983500000000, -0.0025784200000000 ]  - [  -0.0002424800000000, -0.0005767100000000, -0.0025784200000000 ]  - [   0.0006206900000000,  0.0000783600000000, -0.0025784200000000 ]  - [  -0.0004350900000000,  0.0010292100000000, -0.0030421900000000 ]  - [  -0.0006737800000000, -0.0008914000000000, -0.0030421900000000 ]  - [   0.0011088700000000, -0.0001378100000000, -0.0030421900000000 ]- atom:    1  displacement:    [   0.0000000000000000,  0.0000000000000000, -0.0100000000000000 ]  forces:  - [   0.0000000000000000,  0.0000000000000000,  0.3814140000000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0108734800000000 ]  - [  -0.0008192800000000, -0.0009582000000000, -0.0054952600000000 ]  - [   0.0012394700000000, -0.0002304200000000, -0.0054952600000000 ]  - [  -0.0004201900000000,  0.0011886200000000, -0.0054952600000000 ]  - [   0.0063090900000000, -0.0007214100000000, -0.0088994400000000 ]  - [  -0.0025297800000000,  0.0058245400000000, -0.0088994400000000 ]  - [  -0.0037793100000000, -0.0051031300000000, -0.0088994400000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0058943300000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0053953100000000 ]  - [   0.0251973800000000,  0.0350334400000000,  0.0210971500000000 ]  - [  -0.0429385400000000,  0.0043048500000000,  0.0210971500000000 ]  - [   0.0177411600000000, -0.0393382900000000,  0.0210971500000000 ]  - [   0.0299940800000000, -0.0214902900000000,  0.0083440300000000 ]  - [   0.0036141000000000,  0.0367207800000000,  0.0083440300000000 ]  - [  -0.0336081800000000, -0.0152304900000000,  0.0083440300000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0058844100000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0250492000000000 ]  - [  -0.0030060500000000,  0.0022167600000000, -0.0040808700000000 ]  - [  -0.0004167500000000, -0.0037116900000000, -0.0040808700000000 ]  - [   0.0034227900000000,  0.0014949300000000, -0.0040808700000000 ]  - [  -0.0003366200000000, -0.0004159800000000, -0.0051623800000000 ]  - [   0.0005285600000000, -0.0000835300000000, -0.0051623800000000 ]  - [  -0.0001919400000000,  0.0004995100000000, -0.0051623800000000 ]  - [  -0.0013007300000000,  0.0013894200000000,  0.0018427300000000 ]  - [  -0.0005529100000000, -0.0018211800000000,  0.0018427300000000 ]  - [   0.0018536400000000,  0.0004317600000000,  0.0018427300000000 ]  - [   0.0000246500000000,  0.0005720200000000,  0.0015331500000000 ]  - [  -0.0005077100000000, -0.0002646700000000,  0.0015331500000000 ]  - [   0.0004830600000000, -0.0003073600000000,  0.0015331500000000 ]  - [   0.0006003700000000, -0.0000742700000000,  0.0028474200000000 ]  - [  -0.0002358700000000,  0.0005570700000000,  0.0028474200000000 ]  - [  -0.0003645100000000, -0.0004828000000000,  0.0028474200000000 ]  - [  -0.0396986200000000,  0.0016798000000000, -0.0652434000000000 ]  - [   0.0183945600000000, -0.0352199100000000, -0.0652434000000000 ]  - [   0.0213040600000000,  0.0335401100000000, -0.0652434000000000 ]  - [   0.0001156100000000, -0.0009685200000000,  0.0034833700000000 ]  - [   0.0007809600000000,  0.0005843800000000,  0.0034833700000000 ]  - [  -0.0008965700000000,  0.0003841400000000,  0.0034833700000000 ]  - [   0.0011936100000000, -0.0005699700000000,  0.0035273400000000 ]  - [  -0.0001032000000000,  0.0013186800000000,  0.0035273400000000 ]  - [  -0.0010904100000000, -0.0007487200000000,  0.0035273400000000 ]  - [  -0.0001704300000000, -0.0346585600000000, -0.0522616400000000 ]  - [   0.0301004100000000,  0.0171816800000000, -0.0522616400000000 ]  - [  -0.0299299800000000,  0.0174768700000000, -0.0522616400000000 ]  - [   0.0029484600000000, -0.0059437000000000, -0.0071708200000000 ]  - [   0.0036731600000000,  0.0055252900000000, -0.0071708200000000 ]  - [  -0.0066216200000000,  0.0004184100000000, -0.0071708200000000 ]  - [   0.0010519700000000, -0.0000994300000000,  0.0016236900000000 ]  - [  -0.0004398700000000,  0.0009607500000000,  0.0016236900000000 ]  - [  -0.0006120900000000, -0.0008613100000000,  0.0016236900000000 ]  - [   0.0000853400000000, -0.0000977300000000,  0.0017532400000000 ]  - [   0.0000419600000000,  0.0001227700000000,  0.0017532400000000 ]  - [  -0.0001273100000000, -0.0000250500000000,  0.0017532400000000 ]  - [  -0.0072971300000000,  0.0085656100000000, -0.0186652000000000 ]  - [  -0.0037694700000000, -0.0106023000000000, -0.0186652000000000 ]  - [   0.0110666000000000,  0.0020366900000000, -0.0186652000000000 ]  - [  -0.0036968400000000,  0.0030951700000000, -0.0144356000000000 ]  - [  -0.0008320800000000, -0.0047491400000000, -0.0144356000000000 ]  - [   0.0045289200000000,  0.0016539700000000, -0.0144356000000000 ]  - [  -0.0002851500000000,  0.0004967300000000,  0.0018210700000000 ]  - [  -0.0002876000000000, -0.0004953100000000,  0.0018210700000000 ]  - [   0.0005727500000000, -0.0000014200000000,  0.0018210700000000 ]  - [   0.0009216200000000, -0.0004883700000000,  0.0031422200000000 ]  - [  -0.0000378700000000,  0.0010423300000000,  0.0031422200000000 ]  - [  -0.0008837500000000, -0.0005539600000000,  0.0031422200000000 ]  - [  -0.0065803600000000, -0.0025941100000000, -0.0036711000000000 ]  - [   0.0055367500000000, -0.0044017000000000, -0.0036711000000000 ]  - [   0.0010436100000000,  0.0069958200000000, -0.0036711000000000 ]  - [  -0.0000623100000000,  0.0001251800000000,  0.0022940700000000 ]  - [  -0.0000772600000000, -0.0001165500000000,  0.0022940700000000 ]  - [   0.0001395700000000, -0.0000086300000000,  0.0022940700000000 ]  - [   0.0000518200000000, -0.0009459500000000,  0.0024977800000000 ]  - [   0.0007933100000000,  0.0005178600000000,  0.0024977800000000 ]  - [  -0.0008451300000000,  0.0004281000000000,  0.0024977800000000 ]  - [   0.0007629900000000, -0.0005775300000000,  0.0031398800000000 ]  - [   0.0001186600000000,  0.0009495400000000,  0.0031398800000000 ]  - [  -0.0008816500000000, -0.0003720100000000,  0.0031398800000000 ]- atom:    3  displacement:    [   0.0100000000000000, -0.0000000001284888,  0.0000000000000000 ]  forces:  - [   0.0009230000000000, -0.0004673400000000,  0.0007022500000000 ]  - [   0.0054622400000000, -0.0020619400000000, -0.0062055500000000 ]  - [  -0.2116439900000000,  0.0167617200000000,  0.0019611300000000 ]  - [   0.0188593300000000, -0.0062889500000000, -0.0030063300000000 ]  - [   0.0193057500000000,  0.0060304200000000, -0.0026184200000000 ]  - [   0.0112322400000000,  0.0015483700000000, -0.0010671800000000 ]  - [  -0.0044619700000000,  0.0153916200000000,  0.0353699900000000 ]  - [  -0.0037311100000000, -0.0157623900000000,  0.0148518300000000 ]  - [  -0.0008588000000000, -0.0020992400000000,  0.0029175700000000 ]  - [   0.0178533400000000, -0.0415043300000000, -0.0298545500000000 ]  - [   0.0010537400000000, -0.0003106000000000, -0.0002224100000000 ]  - [  -0.0024822500000000,  0.0004961600000000,  0.0006217300000000 ]  - [  -0.0000438400000000,  0.0001565100000000,  0.0000300700000000 ]  - [  -0.0001766900000000,  0.0003111500000000,  0.0003477500000000 ]  - [  -0.0001809400000000, -0.0002234800000000,  0.0002286500000000 ]  - [   0.0005132500000000, -0.0001736100000000,  0.0003237000000000 ]  - [   0.0217494000000000,  0.0383437900000000, -0.0252502900000000 ]  - [  -0.0002059700000000,  0.0003203600000000,  0.0004307500000000 ]  - [   0.0010503000000000,  0.0005791100000000,  0.0003952500000000 ]  - [   0.0015737700000000,  0.0007800900000000, -0.0002353600000000 ]  - [  -0.0030136600000000, -0.0002039400000000,  0.0021584800000000 ]  - [  -0.0058142900000000, -0.0030291300000000,  0.0017635900000000 ]  - [   0.0097040000000000,  0.0009175700000000,  0.0086105100000000 ]  - [  -0.0047343200000000,  0.0074179300000000, -0.0040074900000000 ]  - [  -0.0058953100000000, -0.0013016400000000,  0.0051965400000000 ]  - [  -0.0024372900000000, -0.0096220000000000,  0.0006679400000000 ]  - [   0.0067914400000000, -0.0002480500000000,  0.0060922100000000 ]  - [   0.1013912800000000, -0.0540707200000000, -0.0117753000000000 ]  - [   0.0009095600000000,  0.0130782600000000, -0.0008978100000000 ]  - [  -0.0103569100000000,  0.0011527700000000, -0.0022069400000000 ]  - [  -0.0048864500000000,  0.0007994600000000, -0.0010973300000000 ]  - [  -0.0016423300000000, -0.0018057200000000,  0.0041476500000000 ]  - [   0.0007687000000000,  0.0023793200000000,  0.0017904800000000 ]  - [   0.0000047600000000,  0.0002265100000000, -0.0009289000000000 ]  - [  -0.0004836000000000,  0.0000463800000000, -0.0000213600000000 ]  - [  -0.0007472500000000,  0.0001941500000000, -0.0002359200000000 ]  - [  -0.0044305600000000,  0.0007373900000000, -0.0003544900000000 ]  - [   0.0111862200000000,  0.0036184500000000, -0.0131721000000000 ]  - [  -0.0069595500000000,  0.0085197100000000, -0.0033971100000000 ]  - [   0.0221918500000000,  0.0032799100000000,  0.0125790800000000 ]  - [  -0.0044701600000000, -0.0012851200000000, -0.0005716000000000 ]  - [  -0.0076699500000000, -0.0001910400000000, -0.0011488600000000 ]  - [  -0.0000511900000000, -0.0002230500000000, -0.0000869900000000 ]  - [   0.0001020300000000,  0.0002361100000000, -0.0000941800000000 ]  - [  -0.0002674900000000,  0.0001168200000000, -0.0000832600000000 ]  - [  -0.0003241700000000,  0.0000300700000000, -0.0002275300000000 ]  - [   0.0002444400000000,  0.0001499400000000, -0.0001827500000000 ]  - [  -0.0000606600000000, -0.0003278800000000, -0.0001098400000000 ]  - [   0.0140087000000000,  0.0022731700000000,  0.0068764600000000 ]  - [  -0.0004545100000000,  0.0036748000000000, -0.0004732200000000 ]  - [  -0.0055297200000000,  0.0006209200000000,  0.0059507900000000 ]  - [  -0.0008156600000000,  0.0003348800000000, -0.0006606900000000 ]  - [   0.0002690300000000,  0.0000827700000000, -0.0007955900000000 ]  - [   0.0000929600000000,  0.0001055500000000, -0.0003345800000000 ]  - [   0.0001827000000000, -0.0004758700000000, -0.0003772800000000 ]  - [   0.0002941500000000,  0.0000908100000000, -0.0002597700000000 ]  - [   0.0002103200000000,  0.0003433400000000,  0.0000050900000000 ]  - [   0.0000480900000000,  0.0003112300000000, -0.0001145700000000 ]  - [  -0.0001384900000000,  0.0000882100000000, -0.0003465200000000 ]  - [   0.0001834200000000, -0.0003411700000000, -0.0000512500000000 ]  - [   0.0002289200000000,  0.0003834600000000, -0.0004701200000000 ]  - [  -0.0003576200000000,  0.0009722500000000, -0.0021719600000000 ]  - [   0.0028752000000000,  0.0007094700000000, -0.0002144700000000 ]  - [  -0.0008740300000000,  0.0003777700000000,  0.0005151400000000 ]  - [  -0.0009724300000000, -0.0001097000000000,  0.0007384500000000 ]  - [   0.0022945200000000,  0.0003419400000000,  0.0013950700000000 ]  - [   0.0000182500000000, -0.0001732600000000, -0.0001573100000000 ]  - [   0.0000960700000000, -0.0001170300000000, -0.0001936800000000 ]  - [  -0.0000819500000000, -0.0001345900000000,  0.0000183800000000 ]  - [  -0.0067691700000000, -0.0021724700000000, -0.0005237500000000 ]  - [  -0.0022259300000000, -0.0096611600000000,  0.0009067900000000 ]  - [   0.0312304700000000,  0.0239032600000000,  0.0022034400000000 ]  - [   0.0005859700000000, -0.0001873800000000, -0.0001820000000000 ]  - [  -0.0006579500000000, -0.0008150100000000, -0.0023562800000000 ]  - [   0.0000794300000000, -0.0005486200000000,  0.0010818000000000 ]  - [   0.0004093300000000, -0.0013431800000000,  0.0004743900000000 ]  - [  -0.0011308200000000, -0.0005196000000000,  0.0000553700000000 ]  - [   0.0020608600000000, -0.0004346800000000, -0.0026654400000000 ]- atom:    3  displacement:    [  -0.0100000000000000,  0.0000000001284888,  0.0000000000000000 ]  forces:  - [  -0.0009401900000000,  0.0004720300000000, -0.0009037800000000 ]  - [  -0.0054584500000000,  0.0020436500000000,  0.0063330400000000 ]  - [   0.2181070100000000, -0.0205846600000000, -0.0027683300000000 ]  - [  -0.0185629200000000,  0.0063455900000000,  0.0031682500000000 ]  - [  -0.0195103800000000, -0.0057994700000000,  0.0028010500000000 ]  - [  -0.0112751400000000, -0.0013026700000000,  0.0009609300000000 ]  - [   0.0042588000000000, -0.0155081100000000, -0.0354839600000000 ]  - [   0.0037362600000000,  0.0158609700000000, -0.0149256800000000 ]  - [   0.0008834400000000,  0.0021117300000000, -0.0031163100000000 ]  - [  -0.0180893100000000,  0.0417802300000000,  0.0302012300000000 ]  - [  -0.0010555800000000,  0.0000906700000000,  0.0003879900000000 ]  - [   0.0026944300000000, -0.0004013200000000, -0.0004807500000000 ]  - [  -0.0001404400000000, -0.0000445800000000,  0.0001438600000000 ]  - [   0.0001964500000000, -0.0000955100000000, -0.0005323400000000 ]  - [  -0.0000193500000000,  0.0001326100000000, -0.0004126200000000 ]  - [  -0.0003304300000000,  0.0000507800000000, -0.0005128200000000 ]  - [  -0.0217729800000000, -0.0385423000000000,  0.0250697900000000 ]  - [   0.0002102600000000, -0.0003185100000000, -0.0002500200000000 ]  - [  -0.0010609000000000, -0.0008180200000000, -0.0002328200000000 ]  - [  -0.0013747700000000, -0.0006657600000000,  0.0004019100000000 ]  - [   0.0028177600000000,  0.0003165900000000, -0.0019938900000000 ]  - [   0.0057856500000000,  0.0032562500000000, -0.0019138600000000 ]  - [  -0.0099098800000000, -0.0010396400000000, -0.0088428400000000 ]  - [   0.0048937100000000, -0.0075067800000000,  0.0038473800000000 ]  - [   0.0057978700000000,  0.0012317900000000, -0.0049919100000000 ]  - [   0.0026119400000000,  0.0096423600000000, -0.0004515300000000 ]  - [  -0.0068168300000000,  0.0003843400000000, -0.0058475200000000 ]  - [  -0.1066618500000000,  0.0584329700000000,  0.0125850300000000 ]  - [  -0.0010585300000000, -0.0130243100000000,  0.0006208800000000 ]  - [   0.0103111500000000, -0.0013122800000000,  0.0019363900000000 ]  - [   0.0048998100000000, -0.0009341900000000,  0.0011413200000000 ]  - [   0.0017585800000000,  0.0018564900000000, -0.0040818200000000 ]  - [  -0.0008724500000000, -0.0023084000000000, -0.0017615200000000 ]  - [   0.0000053500000000, -0.0000981100000000,  0.0009166800000000 ]  - [   0.0003785800000000, -0.0001124100000000, -0.0000042700000000 ]  - [   0.0008606700000000, -0.0002570100000000,  0.0002096500000000 ]  - [   0.0041345500000000, -0.0012031400000000,  0.0002468700000000 ]  - [  -0.0100625900000000, -0.0029079500000000,  0.0132832000000000 ]  - [   0.0068053900000000, -0.0080244600000000,  0.0032281800000000 ]  - [  -0.0220583000000000, -0.0027722300000000, -0.0127951500000000 ]  - [   0.0039155500000000,  0.0013468300000000,  0.0006560600000000 ]  - [   0.0079387400000000, -0.0003458400000000,  0.0012647600000000 ]  - [  -0.0000697700000000,  0.0000960100000000,  0.0003245100000000 ]  - [   0.0000715400000000, -0.0002809000000000,  0.0003297400000000 ]  - [   0.0002177500000000,  0.0000536500000000,  0.0003179700000000 ]  - [   0.0004326900000000,  0.0001020200000000,  0.0000124200000000 ]  - [  -0.0004161700000000, -0.0001201000000000, -0.0000315300000000 ]  - [   0.0001106600000000,  0.0001673700000000, -0.0001106800000000 ]  - [  -0.0139763700000000, -0.0024214800000000, -0.0068653500000000 ]  - [   0.0005864400000000, -0.0036634700000000,  0.0004670600000000 ]  - [   0.0053974700000000, -0.0006210700000000, -0.0059013400000000 ]  - [   0.0008079900000000, -0.0002039400000000,  0.0006328700000000 ]  - [  -0.0003865100000000, -0.0001528400000000,  0.0007676100000000 ]  - [   0.0000285800000000, -0.0001608200000000,  0.0003017300000000 ]  - [  -0.0005110100000000,  0.0000338300000000,  0.0002828000000000 ]  - [   0.0002588600000000, -0.0001487500000000,  0.0001703700000000 ]  - [  -0.0004437600000000,  0.0001653300000000, -0.0000908700000000 ]  - [   0.0002806500000000,  0.0001339800000000,  0.0002173500000000 ]  - [  -0.0004154500000000, -0.0000263800000000,  0.0004565800000000 ]  - [   0.0000407000000000, -0.0001686400000000,  0.0001509200000000 ]  - [  -0.0003261600000000, -0.0005045200000000,  0.0007127700000000 ]  - [   0.0005068300000000, -0.0010091900000000,  0.0024359200000000 ]  - [  -0.0029320200000000, -0.0005575900000000,  0.0004533000000000 ]  - [   0.0009717700000000, -0.0002587800000000, -0.0007546500000000 ]  - [   0.0008179800000000,  0.0001357500000000, -0.0009725000000000 ]  - [  -0.0022358100000000, -0.0004859800000000, -0.0016287100000000 ]  - [  -0.0000089700000000,  0.0000544800000000,  0.0001940500000000 ]  - [   0.0000007900000000,  0.0001841200000000,  0.0002312400000000 ]  - [  -0.0000249500000000,  0.0001867400000000,  0.0000158900000000 ]  - [   0.0067009500000000,  0.0023058600000000,  0.0004741200000000 ]  - [   0.0021461000000000,  0.0095391100000000, -0.0009664600000000 ]  - [  -0.0322336800000000, -0.0256422900000000, -0.0023284300000000 ]  - [  -0.0009126900000000, -0.0002559800000000,  0.0000930300000000 ]  - [   0.0012080600000000,  0.0007575400000000,  0.0022800700000000 ]  - [  -0.0003005400000000,  0.0010519200000000, -0.0011697000000000 ]  - [  -0.0000757200000000,  0.0017958800000000, -0.0003767000000000 ]  - [   0.0005770400000000,  0.0005775000000000,  0.0000333700000000 ]  - [  -0.0018639400000000, -0.0000865900000000,  0.0027405300000000 ]- atom:    3  displacement:    [  -0.0049999998822658,  0.0086602541058182,  0.0000000000000000 ]  forces:  - [  -0.0010131800000000, -0.0006929900000000,  0.0002342500000000 ]  - [  -0.0039504300000000, -0.0059193500000000,  0.0039422200000000 ]  - [   0.1275709100000000, -0.1826699500000000, -0.0027462100000000 ]  - [  -0.0202558900000000,  0.0105923800000000,  0.0018657400000000 ]  - [   0.0010258000000000,  0.0038949900000000, -0.0047091700000000 ]  - [  -0.0043708900000000, -0.0137293700000000,  0.0006464300000000 ]  - [   0.0116889800000000,  0.0023372700000000,  0.0213459400000000 ]  - [  -0.0079999400000000,  0.0175571200000000, -0.0326792200000000 ]  - [  -0.0031435300000000,  0.0029845600000000, -0.0036542200000000 ]  - [  -0.0327019000000000,  0.0541241000000000,  0.0339813800000000 ]  - [   0.0000713600000000,  0.0016316400000000,  0.0013813200000000 ]  - [   0.0015766300000000, -0.0024675500000000,  0.0000286700000000 ]  - [  -0.0007801900000000,  0.0020274300000000,  0.0011219000000000 ]  - [   0.0002797900000000, -0.0003834600000000,  0.0005268400000000 ]  - [  -0.0005687400000000,  0.0001721300000000,  0.0004055100000000 ]  - [   0.0001384100000000, -0.0003132200000000,  0.0002827300000000 ]  - [   0.0230140800000000,  0.0241795800000000, -0.0179572700000000 ]  - [   0.0005686600000000,  0.0006828500000000,  0.0003751400000000 ]  - [  -0.0006990200000000,  0.0011862000000000, -0.0001063600000000 ]  - [   0.0007427800000000,  0.0004778100000000,  0.0011483400000000 ]  - [   0.0013409900000000, -0.0018200500000000,  0.0013680400000000 ]  - [   0.0001521100000000,  0.0115203600000000,  0.0095054200000000 ]  - [  -0.0006648400000000, -0.0059662800000000, -0.0015226000000000 ]  - [   0.0055225200000000,  0.0034445200000000, -0.0041977300000000 ]  - [  -0.0054556800000000,  0.0058172300000000,  0.0049231500000000 ]  - [  -0.0026956400000000, -0.0057902000000000,  0.0013336100000000 ]  - [  -0.0024377200000000, -0.0041953200000000,  0.0037071600000000 ]  - [  -0.1036140400000000,  0.0756137100000000,  0.0168037600000000 ]  - [  -0.0001885500000000, -0.0204757400000000,  0.0028050400000000 ]  - [   0.0059914700000000, -0.0036281500000000, -0.0000440000000000 ]  - [   0.0011941700000000,  0.0007261800000000,  0.0001028300000000 ]  - [  -0.0002837100000000,  0.0038090700000000,  0.0006077600000000 ]  - [   0.0007499100000000,  0.0015025900000000, -0.0028581000000000 ]  - [   0.0003821800000000,  0.0010045700000000,  0.0006944800000000 ]  - [   0.0005304200000000, -0.0003148000000000,  0.0000358700000000 ]  - [  -0.0001468100000000,  0.0003100300000000, -0.0005747600000000 ]  - [   0.0026901500000000,  0.0017996600000000,  0.0002237500000000 ]  - [  -0.0064715300000000,  0.0188876500000000, -0.0012894800000000 ]  - [   0.0170636800000000, -0.0088901700000000,  0.0058684600000000 ]  - [  -0.0083429700000000,  0.0277188000000000, -0.0284779800000000 ]  - [   0.0052729200000000,  0.0026023900000000,  0.0029475900000000 ]  - [  -0.0056602100000000, -0.0007926800000000, -0.0019485200000000 ]  - [  -0.0001018100000000,  0.0002223600000000,  0.0001615400000000 ]  - [   0.0001948700000000, -0.0001092300000000, -0.0000201400000000 ]  - [  -0.0000624700000000,  0.0001986100000000, -0.0000818200000000 ]  - [   0.0001354700000000, -0.0005140300000000, -0.0003587400000000 ]  - [  -0.0002872800000000,  0.0004212500000000,  0.0001261800000000 ]  - [  -0.0001480800000000, -0.0002437700000000, -0.0002824400000000 ]  - [  -0.0044729400000000, -0.0051161400000000, -0.0111532200000000 ]  - [   0.0034356900000000, -0.0077013200000000,  0.0006056600000000 ]  - [   0.0084202000000000,  0.0031710200000000, -0.0084685200000000 ]  - [   0.0000267000000000, -0.0002833500000000, -0.0000814100000000 ]  - [  -0.0004973800000000,  0.0014341000000000,  0.0007002900000000 ]  - [   0.0002981000000000, -0.0007958400000000,  0.0004281800000000 ]  - [  -0.0000550500000000, -0.0001065500000000, -0.0012332900000000 ]  - [   0.0002092200000000, -0.0006033300000000, -0.0001114800000000 ]  - [  -0.0003582000000000,  0.0003418300000000, -0.0004009900000000 ]  - [   0.0000538000000000,  0.0002068600000000, -0.0003825700000000 ]  - [  -0.0002967100000000,  0.0002349200000000,  0.0000987600000000 ]  - [   0.0004241200000000, -0.0004073800000000, -0.0004684700000000 ]  - [   0.0025434600000000, -0.0035540900000000, -0.0012495100000000 ]  - [   0.0011575100000000,  0.0008926400000000,  0.0020971500000000 ]  - [   0.0000240400000000, -0.0016556400000000,  0.0033655800000000 ]  - [   0.0015433900000000, -0.0009014100000000, -0.0013873200000000 ]  - [  -0.0001457100000000, -0.0001378400000000, -0.0001705400000000 ]  - [  -0.0004148100000000,  0.0007263500000000, -0.0009737800000000 ]  - [  -0.0001113100000000, -0.0001760500000000, -0.0002510600000000 ]  - [  -0.0001337600000000,  0.0001288600000000, -0.0001193800000000 ]  - [  -0.0001908300000000, -0.0000978400000000, -0.0002414700000000 ]  - [  -0.0050462800000000, -0.0033890200000000,  0.0016166400000000 ]  - [   0.0007936200000000, -0.0114460700000000, -0.0005849300000000 ]  - [   0.0018283900000000,  0.0128316600000000,  0.0071482200000000 ]  - [  -0.0009991100000000, -0.0001321500000000, -0.0023214800000000 ]  - [  -0.0000111000000000, -0.0000551700000000, -0.0000187200000000 ]  - [  -0.0012189900000000,  0.0002565000000000,  0.0009986200000000 ]  - [   0.0005965300000000, -0.0008088700000000,  0.0003946000000000 ]  - [  -0.0017823600000000, -0.0022101100000000, -0.0015251700000000 ]  - [  -0.0014734700000000,  0.0008227100000000, -0.0013026600000000 ]- atom:    3  displacement:    [   0.0049999998822658, -0.0086602541058182,  0.0000000000000000 ]  forces:  - [   0.0009950300000000,  0.0007096800000000, -0.0004326500000000 ]  - [   0.0039519800000000,  0.0060017400000000, -0.0037707600000000 ]  - [  -0.1196919100000000,  0.1775994400000000,  0.0010480600000000 ]  - [   0.0208805200000000, -0.0104811300000000, -0.0017720300000000 ]  - [  -0.0012919300000000, -0.0037374800000000,  0.0048850200000000 ]  - [   0.0044131700000000,  0.0140084700000000, -0.0007906700000000 ]  - [  -0.0117788700000000, -0.0025880000000000, -0.0215595100000000 ]  - [   0.0079998100000000, -0.0175464400000000,  0.0330005400000000 ]  - [   0.0031405500000000, -0.0029955700000000,  0.0034328300000000 ]  - [   0.0322795800000000, -0.0539594400000000, -0.0335953100000000 ]  - [  -0.0000840100000000, -0.0018642300000000, -0.0012135200000000 ]  - [  -0.0013670300000000,  0.0025656700000000,  0.0001052600000000 ]  - [   0.0006108700000000, -0.0019232100000000, -0.0009356900000000 ]  - [  -0.0002595400000000,  0.0005969200000000, -0.0007105300000000 ]  - [   0.0003671200000000, -0.0002610500000000, -0.0005847900000000 ]  - [   0.0000459700000000,  0.0001889900000000, -0.0004685300000000 ]  - [  -0.0229997600000000, -0.0241475000000000,  0.0177085000000000 ]  - [  -0.0005656100000000, -0.0006818100000000, -0.0001914100000000 ]  - [   0.0007038300000000, -0.0014103000000000,  0.0002741300000000 ]  - [  -0.0005513100000000, -0.0003807100000000, -0.0009851200000000 ]  - [  -0.0015458000000000,  0.0019383700000000, -0.0011871800000000 ]  - [  -0.0002044800000000, -0.0113511800000000, -0.0097500300000000 ]  - [   0.0005147200000000,  0.0058307300000000,  0.0013650100000000 ]  - [  -0.0052843900000000, -0.0035980900000000,  0.0040351400000000 ]  - [   0.0053120800000000, -0.0059251200000000, -0.0046930300000000 ]  - [   0.0028754600000000,  0.0058328500000000, -0.0011279900000000 ]  - [   0.0024758000000000,  0.0043398000000000, -0.0034561900000000 ]  - [   0.0965627400000000, -0.0709868800000000, -0.0156850000000000 ]  - [   0.0000243100000000,  0.0205096300000000, -0.0030871100000000 ]  - [  -0.0059941700000000,  0.0035065600000000, -0.0002020600000000 ]  - [  -0.0011981100000000, -0.0008701200000000, -0.0000665700000000 ]  - [   0.0004206100000000, -0.0037384500000000, -0.0006062600000000 ]  - [  -0.0008578700000000, -0.0014813700000000,  0.0028983900000000 ]  - [  -0.0003701200000000, -0.0008859300000000, -0.0007041600000000 ]  - [  -0.0006388300000000,  0.0002437200000000, -0.0000692300000000 ]  - [   0.0002647300000000, -0.0003740100000000,  0.0005526500000000 ]  - [  -0.0030062800000000, -0.0022742600000000, -0.0003220400000000 ]  - [   0.0072937300000000, -0.0185485100000000,  0.0013696200000000 ]  - [  -0.0174835300000000,  0.0093793300000000, -0.0060900700000000 ]  - [   0.0085554700000000, -0.0271089200000000,  0.0287534300000000 ]  - [  -0.0059109000000000, -0.0025880900000000, -0.0028999200000000 ]  - [   0.0059298500000000,  0.0002698700000000,  0.0020617900000000 ]  - [  -0.0000200400000000, -0.0003494500000000,  0.0000754600000000 ]  - [  -0.0000207000000000,  0.0000619600000000,  0.0002555800000000 ]  - [   0.0000103900000000, -0.0000292500000000,  0.0003145300000000 ]  - [  -0.0000249500000000,  0.0006483100000000,  0.0001446600000000 ]  - [   0.0001171300000000, -0.0003934800000000, -0.0003412900000000 ]  - [   0.0001926400000000,  0.0000826700000000,  0.0000604000000000 ]  - [   0.0044453700000000,  0.0049694800000000,  0.0111354000000000 ]  - [  -0.0033131900000000,  0.0077747200000000, -0.0006304100000000 ]  - [  -0.0085655600000000, -0.0031564000000000,  0.0085388200000000 ]  - [  -0.0000319100000000,  0.0004181600000000,  0.0000557200000000 ]  - [   0.0003820500000000, -0.0014989300000000, -0.0007267900000000 ]  - [  -0.0001803000000000,  0.0007339000000000, -0.0004534000000000 ]  - [  -0.0002770900000000, -0.0003301300000000,  0.0011387400000000 ]  - [   0.0003448500000000,  0.0005478600000000,  0.0000152400000000 ]  - [   0.0001251900000000,  0.0001671500000000,  0.0003160500000000 ]  - [   0.0002759100000000,  0.0002406600000000,  0.0004827200000000 ]  - [  -0.0002565300000000, -0.0001718700000000,  0.0000111000000000 ]  - [  -0.0002014600000000, -0.0001010900000000,  0.0005651400000000 ]  - [  -0.0026436300000000,  0.0034465000000000,  0.0015058500000000 ]  - [  -0.0009994600000000, -0.0009103000000000, -0.0018407900000000 ]  - [  -0.0000973000000000,  0.0018014900000000, -0.0031007700000000 ]  - [  -0.0014527700000000,  0.0010188900000000,  0.0011491300000000 ]  - [   0.0000023100000000,  0.0001734700000000, -0.0000782800000000 ]  - [   0.0004697500000000, -0.0008787600000000,  0.0007357000000000 ]  - [   0.0001234700000000,  0.0000569100000000,  0.0002859800000000 ]  - [   0.0002310200000000, -0.0000634100000000,  0.0001532800000000 ]  - [   0.0000846100000000,  0.0001505100000000,  0.0002736700000000 ]  - [   0.0048980100000000,  0.0035112000000000, -0.0016915000000000 ]  - [  -0.0008812300000000,  0.0113500900000000,  0.0005406000000000 ]  - [  -0.0021591600000000, -0.0132131900000000, -0.0072046200000000 ]  - [   0.0006790700000000, -0.0003183300000000,  0.0022499500000000 ]  - [   0.0005568100000000, -0.0000078700000000, -0.0000785500000000 ]  - [   0.0009943100000000,  0.0002579100000000, -0.0010880700000000 ]  - [  -0.0002731700000000,  0.0012543700000000, -0.0002999500000000 ]  - [   0.0012399000000000,  0.0022890900000000,  0.0016294400000000 ]  - [   0.0016922000000000, -0.0013468200000000,  0.0013682500000000 ]- atom:    3  displacement:    [   0.0000000000000000,  0.0000000000000000,  0.0100000000000000 ]  forces:  - [   0.0013353200000000,  0.0001641000000000,  0.0054663700000000 ]  - [  -0.0085603500000000, -0.0002504100000000,  0.0088505600000000 ]  - [   0.0011540600000000,  0.0002086500000000, -0.2685422900000000 ]  - [   0.0076181800000000,  0.0012320300000000, -0.0077089400000000 ]  - [   0.0017222400000000,  0.0025972900000000, -0.0077118400000000 ]  - [  -0.0010160100000000,  0.0003695500000000, -0.0005730000000000 ]  - [   0.0179539600000000,  0.0276150900000000,  0.0066432000000000 ]  - [   0.0216719400000000, -0.0535716300000000,  0.0067390300000000 ]  - [   0.0033263900000000, -0.0009452000000000,  0.0040616500000000 ]  - [  -0.0104971900000000,  0.0018013300000000, -0.0084534500000000 ]  - [   0.0003140600000000, -0.0001547700000000,  0.0028343500000000 ]  - [  -0.0032585500000000,  0.0005115400000000,  0.0080508800000000 ]  - [   0.0009748700000000, -0.0001938000000000,  0.0035698300000000 ]  - [   0.0004510500000000,  0.0010812500000000,  0.0041751700000000 ]  - [  -0.0008914000000000, -0.0000243800000000,  0.0039887800000000 ]  - [   0.0005849500000000, -0.0007151300000000,  0.0039883800000000 ]  - [  -0.0011153700000000,  0.0035209000000000, -0.0212543500000000 ]  - [  -0.0005505600000000, -0.0004708300000000,  0.0051528500000000 ]  - [  -0.0003015400000000,  0.0011999800000000,  0.0028501600000000 ]  - [  -0.0008713400000000, -0.0005689700000000,  0.0035773000000000 ]  - [  -0.0001310300000000, -0.0005548000000000,  0.0080057200000000 ]  - [   0.0018151200000000,  0.0122195800000000,  0.0018286300000000 ]  - [   0.0079027700000000,  0.0000566300000000, -0.0010215800000000 ]  - [  -0.0013462500000000, -0.0092489800000000, -0.0010416200000000 ]  - [   0.0012531200000000,  0.0015046000000000,  0.0028926000000000 ]  - [  -0.0010338000000000, -0.0034975200000000,  0.0046861700000000 ]  - [   0.0078544600000000,  0.0054940600000000,  0.0054244900000000 ]  - [  -0.0169064700000000,  0.0211585900000000,  0.0248613300000000 ]  - [  -0.0017481500000000, -0.0022734600000000,  0.0032697600000000 ]  - [   0.0003321500000000,  0.0002569000000000,  0.0016162600000000 ]  - [   0.0010594700000000, -0.0001385800000000,  0.0008259300000000 ]  - [   0.0025884500000000,  0.0039108300000000, -0.0020589800000000 ]  - [   0.0011059200000000, -0.0027692300000000, -0.0025626700000000 ]  - [  -0.0005213500000000, -0.0003138000000000, -0.0027280200000000 ]  - [  -0.0007737700000000, -0.0002179700000000, -0.0018176400000000 ]  - [  -0.0005920800000000, -0.0001551000000000, -0.0012701000000000 ]  - [   0.0001491900000000, -0.0010821700000000,  0.0029667400000000 ]  - [   0.0030603700000000,  0.0138392300000000,  0.0293598900000000 ]  - [  -0.0070134100000000,  0.0016078800000000,  0.0154232800000000 ]  - [   0.0000274900000000, -0.0121131800000000,  0.1657257700000000 ]  - [  -0.0016517600000000,  0.0004053800000000,  0.0027426300000000 ]  - [  -0.0029086500000000, -0.0006191400000000,  0.0035792400000000 ]  - [   0.0000602000000000, -0.0008203600000000, -0.0015692700000000 ]  - [   0.0004939200000000,  0.0006900600000000, -0.0015869600000000 ]  - [  -0.0006216600000000,  0.0001723700000000, -0.0013836000000000 ]  - [   0.0001208500000000, -0.0002856300000000, -0.0013672300000000 ]  - [   0.0008931100000000,  0.0010573700000000, -0.0020639400000000 ]  - [  -0.0005992300000000, -0.0000767700000000, -0.0012907900000000 ]  - [   0.0005936500000000, -0.0034872700000000, -0.0009013900000000 ]  - [  -0.0036012700000000,  0.0102829900000000,  0.0052769200000000 ]  - [   0.0013675900000000,  0.0019198300000000,  0.0022747300000000 ]  - [  -0.0002091000000000,  0.0001467000000000, -0.0013668000000000 ]  - [  -0.0006800200000000,  0.0007782800000000, -0.0019155200000000 ]  - [   0.0000591500000000,  0.0006346300000000, -0.0020116500000000 ]  - [  -0.0004973100000000, -0.0001357600000000, -0.0025142300000000 ]  - [   0.0000869900000000, -0.0001049800000000, -0.0027456200000000 ]  - [   0.0013073100000000,  0.0003472200000000, -0.0024276000000000 ]  - [  -0.0000885900000000,  0.0007207000000000, -0.0020738000000000 ]  - [  -0.0005123200000000, -0.0005876600000000, -0.0033292200000000 ]  - [   0.0006395500000000, -0.0002420800000000, -0.0022147600000000 ]  - [   0.0006273000000000, -0.0014780500000000, -0.0004723800000000 ]  - [  -0.0009059600000000,  0.0003311000000000,  0.0002487200000000 ]  - [  -0.0008752800000000,  0.0024007100000000, -0.0017463300000000 ]  - [   0.0015147200000000, -0.0010534200000000, -0.0021253500000000 ]  - [   0.0010600700000000,  0.0006729800000000, -0.0019229000000000 ]  - [  -0.0001862300000000,  0.0000717400000000, -0.0021383100000000 ]  - [  -0.0000485200000000, -0.0001485400000000, -0.0019176800000000 ]  - [   0.0001235900000000, -0.0001102900000000, -0.0018877100000000 ]  - [  -0.0001136800000000, -0.0000872800000000, -0.0016215000000000 ]  - [  -0.0070843800000000, -0.0010409600000000,  0.0020804500000000 ]  - [  -0.0001458200000000, -0.0051257900000000,  0.0032913100000000 ]  - [  -0.0107637700000000, -0.0136136700000000,  0.0276142300000000 ]  - [  -0.0003974500000000, -0.0013525000000000, -0.0020414300000000 ]  - [  -0.0014712000000000, -0.0006850500000000, -0.0017113800000000 ]  - [   0.0004046400000000,  0.0011995700000000, -0.0016921300000000 ]  - [  -0.0001524500000000,  0.0009803200000000, -0.0003786800000000 ]  - [  -0.0004962700000000, -0.0009692100000000, -0.0010711400000000 ]  - [  -0.0024686500000000, -0.0018776400000000, -0.0057095300000000 ]- atom:    3  displacement:    [   0.0000000000000000,  0.0000000000000000, -0.0100000000000000 ]  forces:  - [  -0.0013352300000000, -0.0001537700000000, -0.0056818000000000 ]  - [   0.0086878100000000,  0.0002653200000000, -0.0087475800000000 ]  - [  -0.0035226500000000,  0.0017906200000000,  0.2582960300000000 ]  - [  -0.0073977100000000, -0.0011788200000000,  0.0079066200000000 ]  - [  -0.0019150400000000, -0.0024328500000000,  0.0079031900000000 ]  - [   0.0010132300000000, -0.0001204300000000,  0.0003653900000000 ]  - [  -0.0179452100000000, -0.0274947000000000, -0.0068462400000000 ]  - [  -0.0212372600000000,  0.0530171500000000, -0.0067523500000000 ]  - [  -0.0033616100000000,  0.0009518200000000, -0.0042488100000000 ]  - [   0.0104976700000000, -0.0019360300000000,  0.0083378800000000 ]  - [  -0.0003143800000000, -0.0000756800000000, -0.0026969100000000 ]  - [   0.0034465500000000, -0.0004116300000000, -0.0078864200000000 ]  - [  -0.0011571600000000,  0.0003017600000000, -0.0034244500000000 ]  - [  -0.0004277100000000, -0.0008566500000000, -0.0043712800000000 ]  - [   0.0006977000000000, -0.0000722200000000, -0.0041843800000000 ]  - [  -0.0004072900000000,  0.0005976200000000, -0.0041849300000000 ]  - [   0.0011465500000000, -0.0034737900000000,  0.0208419100000000 ]  - [   0.0005452700000000,  0.0004642900000000, -0.0049910700000000 ]  - [   0.0003066200000000, -0.0014426500000000, -0.0026835000000000 ]  - [   0.0010725900000000,  0.0006830700000000, -0.0034177900000000 ]  - [  -0.0000530900000000,  0.0006734100000000, -0.0079317500000000 ]  - [  -0.0018610400000000, -0.0121396100000000, -0.0019517800000000 ]  - [  -0.0081849400000000, -0.0001594100000000,  0.0009444800000000 ]  - [   0.0015391100000000,  0.0092368400000000,  0.0009249700000000 ]  - [  -0.0013450500000000, -0.0016015700000000, -0.0026286800000000 ]  - [   0.0011966300000000,  0.0034804700000000, -0.0044320400000000 ]  - [  -0.0078572500000000, -0.0052859400000000, -0.0051506000000000 ]  - [   0.0172469400000000, -0.0211241400000000, -0.0250788300000000 ]  - [   0.0015996900000000,  0.0024023900000000, -0.0035166800000000 ]  - [  -0.0003966700000000, -0.0003971200000000, -0.0018700700000000 ]  - [  -0.0010738300000000,  0.0000046100000000, -0.0008162000000000 ]  - [  -0.0025037500000000, -0.0038915800000000,  0.0021040400000000 ]  - [  -0.0012421700000000,  0.0028778600000000,  0.0026253600000000 ]  - [   0.0005216700000000,  0.0004385100000000,  0.0027155700000000 ]  - [   0.0006564000000000,  0.0001527300000000,  0.0017954400000000 ]  - [   0.0007000200000000,  0.0000892400000000,  0.0012583100000000 ]  - [  -0.0004794800000000,  0.0006188600000000, -0.0030466600000000 ]  - [  -0.0023677700000000, -0.0137580500000000, -0.0295066300000000 ]  - [   0.0067837700000000, -0.0011154200000000, -0.0154355900000000 ]  - [   0.0017684500000000,  0.0103620400000000, -0.1552911400000000 ]  - [   0.0011046200000000, -0.0003403300000000, -0.0026231800000000 ]  - [   0.0031450200000000,  0.0001061300000000, -0.0034334500000000 ]  - [  -0.0001846100000000,  0.0006933000000000,  0.0018109900000000 ]  - [  -0.0003226400000000, -0.0007333900000000,  0.0018267100000000 ]  - [   0.0005753700000000, -0.0000023500000000,  0.0016225900000000 ]  - [  -0.0000138200000000,  0.0004243200000000,  0.0011605800000000 ]  - [  -0.0010611100000000, -0.0010228300000000,  0.0018504900000000 ]  - [   0.0006527600000000, -0.0000850000000000,  0.0010804900000000 ]  - [  -0.0005502000000000,  0.0033098200000000,  0.0009845200000000 ]  - [   0.0036943100000000, -0.0101724400000000, -0.0051966400000000 ]  - [  -0.0014973200000000, -0.0018925500000000, -0.0021794100000000 ]  - [   0.0002038300000000, -0.0000140600000000,  0.0013384400000000 ]  - [   0.0005764300000000, -0.0008652600000000,  0.0018924500000000 ]  - [   0.0000610100000000, -0.0007006700000000,  0.0019895300000000 ]  - [   0.0001704300000000, -0.0003138000000000,  0.0024336500000000 ]  - [   0.0004662300000000,  0.0000539800000000,  0.0026664100000000 ]  - [  -0.0015289900000000,  0.0001608900000000,  0.0023468700000000 ]  - [   0.0004196900000000, -0.0002792100000000,  0.0021851400000000 ]  - [  -0.0000398800000000,  0.0006477200000000,  0.0034419300000000 ]  - [  -0.0004195300000000, -0.0002668500000000,  0.0023242900000000 ]  - [  -0.0007327300000000,  0.0013774600000000,  0.0007113200000000 ]  - [   0.0010705700000000, -0.0003608700000000, -0.0000228600000000 ]  - [   0.0008328100000000, -0.0022796700000000,  0.0019883300000000 ]  - [  -0.0014344400000000,  0.0011796900000000,  0.0018971200000000 ]  - [  -0.0012236400000000, -0.0006470600000000,  0.0016918300000000 ]  - [   0.0002308300000000, -0.0002197000000000,  0.0019124400000000 ]  - [   0.0000575700000000,  0.0000336800000000,  0.0019609700000000 ]  - [  -0.0000233300000000,  0.0001775100000000,  0.0019302600000000 ]  - [   0.0000057300000000,  0.0001369900000000,  0.0016622000000000 ]  - [   0.0069738400000000,  0.0011584900000000, -0.0021407700000000 ]  - [   0.0000673200000000,  0.0049729000000000, -0.0033493600000000 ]  - [   0.0110257300000000,  0.0137371000000000, -0.0276592500000000 ]  - [   0.0000685000000000,  0.0009299300000000,  0.0019568700000000 ]  - [   0.0020495100000000,  0.0006284400000000,  0.0016177700000000 ]  - [  -0.0006269100000000, -0.0007017100000000,  0.0016033000000000 ]  - [   0.0004810000000000, -0.0005439100000000,  0.0004571300000000 ]  - [  -0.0000557800000000,  0.0010350800000000,  0.0011524200000000 ]  - [   0.0027414600000000,  0.0013916800000000,  0.0058628600000000 ]- atom:   25  displacement:    [   0.0100000000000000, -0.0000000001284888,  0.0000000000000000 ]  forces:  - [  -0.0020180700000000, -0.0008443300000000,  0.0011445700000000 ]  - [  -0.0007781500000000, -0.0000975700000000,  0.0001296100000000 ]  - [  -0.0058468400000000, -0.0097089400000000,  0.0013882800000000 ]  - [  -0.0017656600000000, -0.0045684600000000, -0.0084370500000000 ]  - [  -0.0037100500000000,  0.0102856700000000, -0.0023670500000000 ]  - [   0.1016176900000000, -0.0533362000000000, -0.0167030400000000 ]  - [  -0.0042831400000000,  0.0022245200000000, -0.0005593600000000 ]  - [  -0.0175635500000000, -0.0023354600000000, -0.0012711800000000 ]  - [   0.0001891900000000,  0.0001423300000000,  0.0001425700000000 ]  - [   0.0043911900000000,  0.0022774100000000, -0.0027750000000000 ]  - [   0.0002872100000000,  0.0030383200000000,  0.0007576000000000 ]  - [   0.0006335700000000, -0.0019370900000000, -0.0015002700000000 ]  - [   0.0001380100000000, -0.0013251200000000,  0.0008791500000000 ]  - [  -0.0003710400000000, -0.0000127000000000, -0.0000225700000000 ]  - [  -0.0005831600000000, -0.0000335100000000,  0.0002169300000000 ]  - [   0.0005463500000000, -0.0002651000000000,  0.0003208200000000 ]  - [   0.0203144900000000, -0.0020385300000000, -0.0005937500000000 ]  - [   0.0014081900000000,  0.0008946000000000, -0.0007808100000000 ]  - [   0.0000102200000000, -0.0001559700000000,  0.0002108600000000 ]  - [   0.0000860200000000,  0.0001577500000000,  0.0003135000000000 ]  - [  -0.0002239400000000, -0.0001213000000000,  0.0005023400000000 ]  - [  -0.0009250900000000,  0.0013132100000000,  0.0013871000000000 ]  - [   0.0018646800000000, -0.0006370200000000, -0.0001132700000000 ]  - [   0.0000028000000000, -0.0003995000000000, -0.0000955700000000 ]  - [  -0.1451092000000000,  0.0867045600000000,  0.0240782700000000 ]  - [  -0.0016881400000000, -0.0049014200000000,  0.0004143300000000 ]  - [   0.0199787000000000, -0.0075409800000000,  0.0004309200000000 ]  - [  -0.0021659500000000,  0.0039159100000000,  0.0012648200000000 ]  - [   0.0005030800000000,  0.0019834700000000, -0.0005699900000000 ]  - [  -0.0008407800000000, -0.0012130700000000,  0.0001097500000000 ]  - [  -0.0000720200000000,  0.0000387500000000,  0.0004212700000000 ]  - [   0.0004499500000000,  0.0003371700000000,  0.0000481500000000 ]  - [   0.0003867200000000,  0.0001777400000000, -0.0001702800000000 ]  - [   0.0008308500000000,  0.0001209400000000,  0.0005113000000000 ]  - [   0.0006892300000000,  0.0007301000000000, -0.0005892300000000 ]  - [   0.0012186700000000, -0.0011607400000000, -0.0021930900000000 ]  - [   0.0043325100000000, -0.0082018300000000,  0.0107523400000000 ]  - [   0.0022937000000000,  0.0020020900000000,  0.0009593900000000 ]  - [   0.0045786500000000, -0.0000280000000000, -0.0004192900000000 ]  - [   0.0052536100000000,  0.0014967900000000,  0.0002044400000000 ]  - [   0.0126205800000000,  0.0056672000000000,  0.0051954000000000 ]  - [   0.0045324700000000, -0.0047518500000000,  0.0017920800000000 ]  - [   0.0003919500000000, -0.0002313300000000, -0.0002530500000000 ]  - [   0.0003077900000000, -0.0000219700000000, -0.0000413500000000 ]  - [  -0.0003082300000000,  0.0001480700000000, -0.0002074100000000 ]  - [   0.0004348300000000, -0.0007766500000000, -0.0000068700000000 ]  - [  -0.0000346800000000,  0.0000390500000000,  0.0016836700000000 ]  - [  -0.0005749700000000,  0.0002770000000000, -0.0008053500000000 ]  - [  -0.0022626900000000, -0.0005780100000000,  0.0000678400000000 ]  - [   0.0033019700000000, -0.0040733000000000, -0.0006983200000000 ]  - [  -0.0077942100000000, -0.0081350000000000,  0.0032317800000000 ]  - [  -0.0000625200000000,  0.0000428600000000, -0.0001224000000000 ]  - [  -0.0001598800000000,  0.0001487600000000, -0.0001161400000000 ]  - [   0.0001217100000000,  0.0000663500000000, -0.0001746400000000 ]  - [  -0.0002126600000000,  0.0001992600000000, -0.0001014800000000 ]  - [   0.0003138700000000, -0.0003483600000000, -0.0002251400000000 ]  - [  -0.0009074000000000,  0.0002253300000000, -0.0005058300000000 ]  - [  -0.0000275200000000,  0.0000949000000000, -0.0002393400000000 ]  - [  -0.0002997200000000,  0.0002774000000000,  0.0004799800000000 ]  - [   0.0002041200000000, -0.0001231500000000, -0.0002938900000000 ]  - [   0.0004031600000000, -0.0005434200000000, -0.0001490700000000 ]  - [  -0.0000827600000000, -0.0000061800000000,  0.0001892600000000 ]  - [   0.0000559000000000,  0.0001564200000000,  0.0000564300000000 ]  - [   0.0001404800000000,  0.0000734800000000, -0.0001507600000000 ]  - [  -0.0000290100000000, -0.0000848100000000, -0.0001558400000000 ]  - [   0.0001558700000000, -0.0000218500000000, -0.0001414000000000 ]  - [   0.0001958800000000, -0.0002244500000000,  0.0001709900000000 ]  - [  -0.0002657200000000,  0.0002137600000000,  0.0000872400000000 ]  - [  -0.0000762100000000,  0.0001331900000000, -0.0001507500000000 ]  - [  -0.0035674400000000,  0.0026721100000000,  0.0024104900000000 ]  - [   0.0020751700000000, -0.0067896500000000, -0.0031286600000000 ]  - [   0.0081135000000000, -0.0004477300000000, -0.0138861600000000 ]  - [  -0.0001972300000000, -0.0002037500000000, -0.0004032700000000 ]  - [   0.0000966700000000, -0.0000652300000000, -0.0001104200000000 ]  - [  -0.0001233000000000,  0.0002894700000000, -0.0001224100000000 ]  - [   0.0000704200000000,  0.0003178300000000,  0.0000666100000000 ]  - [  -0.0004729900000000, -0.0004033900000000, -0.0000408100000000 ]  - [  -0.0001377000000000, -0.0001908300000000, -0.0006285300000000 ]- atom:   25  displacement:    [  -0.0100000000000000,  0.0000000001284888,  0.0000000000000000 ]  forces:  - [   0.0020222000000000,  0.0008425700000000, -0.0013399500000000 ]  - [   0.0007791400000000,  0.0000976500000000,  0.0000569100000000 ]  - [   0.0058368900000000,  0.0094790500000000, -0.0012158000000000 ]  - [   0.0018263500000000,  0.0047210800000000,  0.0087505000000000 ]  - [   0.0035782500000000, -0.0102634500000000,  0.0025548200000000 ]  - [  -0.1064239700000000,  0.0576552900000000,  0.0174743900000000 ]  - [   0.0041037000000000, -0.0023921100000000,  0.0003775300000000 ]  - [   0.0178170500000000,  0.0021950700000000,  0.0011090600000000 ]  - [  -0.0001886500000000, -0.0001433200000000, -0.0003271500000000 ]  - [  -0.0044659700000000, -0.0022898400000000,  0.0030246300000000 ]  - [  -0.0002743600000000, -0.0032668800000000, -0.0006075100000000 ]  - [  -0.0004351600000000,  0.0020575300000000,  0.0016933400000000 ]  - [  -0.0003389300000000,  0.0014377500000000, -0.0007154200000000 ]  - [   0.0003932700000000,  0.0002362200000000, -0.0001535600000000 ]  - [   0.0003842400000000, -0.0000607800000000, -0.0003965800000000 ]  - [  -0.0003681100000000,  0.0001440500000000, -0.0004975000000000 ]  - [  -0.0200974700000000,  0.0015332200000000,  0.0000527900000000 ]  - [  -0.0014081300000000, -0.0009035300000000,  0.0009853500000000 ]  - [  -0.0000163400000000, -0.0000683100000000, -0.0000401700000000 ]  - [   0.0001118800000000, -0.0000519400000000, -0.0001393000000000 ]  - [   0.0000348600000000,  0.0002335200000000, -0.0003275900000000 ]  - [   0.0009290500000000, -0.0010852900000000, -0.0015555400000000 ]  - [  -0.0020659200000000,  0.0005447500000000, -0.0000634300000000 ]  - [   0.0001890500000000,  0.0002711400000000, -0.0000905800000000 ]  - [   0.1495152600000000, -0.0906415000000000, -0.0242702100000000 ]  - [   0.0018385000000000,  0.0050255500000000, -0.0001722600000000 ]  - [  -0.0197293600000000,  0.0074952400000000, -0.0001556100000000 ]  - [   0.0022954600000000, -0.0038096500000000, -0.0015102600000000 ]  - [  -0.0006640900000000, -0.0019539900000000,  0.0003288900000000 ]  - [   0.0008897100000000,  0.0010526400000000, -0.0003532800000000 ]  - [   0.0000780300000000, -0.0001726800000000, -0.0003939000000000 ]  - [  -0.0003403000000000, -0.0002612700000000, -0.0000137000000000 ]  - [  -0.0005047000000000, -0.0001151500000000,  0.0002007400000000 ]  - [  -0.0008392800000000,  0.0000106400000000, -0.0005422700000000 ]  - [  -0.0007969800000000, -0.0007978500000000,  0.0005664100000000 ]  - [  -0.0011162800000000,  0.0010990400000000,  0.0021771200000000 ]  - [  -0.0047143500000000,  0.0078631600000000, -0.0110094500000000 ]  - [  -0.0017413600000000, -0.0020477000000000, -0.0010471400000000 ]  - [  -0.0048269600000000,  0.0005454300000000,  0.0002687600000000 ]  - [  -0.0048876200000000, -0.0010110700000000, -0.0001126800000000 ]  - [  -0.0134774500000000, -0.0057050300000000, -0.0052039100000000 ]  - [  -0.0043644300000000,  0.0043058400000000, -0.0016972800000000 ]  - [  -0.0005137500000000,  0.0001016200000000,  0.0004862000000000 ]  - [  -0.0001353000000000, -0.0000173000000000,  0.0002734000000000 ]  - [   0.0002599200000000,  0.0000217700000000,  0.0004411000000000 ]  - [  -0.0003325600000000,  0.0009136800000000, -0.0002098300000000 ]  - [  -0.0001370400000000, -0.0000062900000000, -0.0019069400000000 ]  - [   0.0006373900000000, -0.0004353000000000,  0.0005788300000000 ]  - [   0.0023097000000000,  0.0004548200000000, -0.0000362200000000 ]  - [  -0.0031901000000000,  0.0041431800000000,  0.0007276800000000 ]  - [   0.0077937800000000,  0.0083224500000000, -0.0032543900000000 ]  - [   0.0000558300000000,  0.0000900300000000,  0.0000904200000000 ]  - [   0.0000459500000000, -0.0002191900000000,  0.0000842900000000 ]  - [  -0.0000007300000000, -0.0001270400000000,  0.0001439200000000 ]  - [  -0.0001148900000000, -0.0006475900000000,  0.0000053900000000 ]  - [   0.0002386900000000,  0.0002921500000000,  0.0001352700000000 ]  - [   0.0006880900000000,  0.0002820000000000,  0.0004097900000000 ]  - [   0.0003566300000000,  0.0003500700000000,  0.0003424700000000 ]  - [  -0.0002551700000000, -0.0002191800000000, -0.0003849200000000 ]  - [   0.0000219600000000, -0.0003876200000000,  0.0003934700000000 ]  - [  -0.0005020100000000,  0.0004248800000000,  0.0003911700000000 ]  - [   0.0002320400000000, -0.0000258500000000,  0.0000564100000000 ]  - [  -0.0001022200000000, -0.0000119000000000,  0.0001884300000000 ]  - [  -0.0000400600000000,  0.0000402200000000, -0.0000958600000000 ]  - [  -0.0001220100000000,  0.0001152200000000, -0.0000877200000000 ]  - [  -0.0001066600000000, -0.0001230900000000, -0.0001024200000000 ]  - [  -0.0001887500000000,  0.0001073400000000, -0.0001397400000000 ]  - [   0.0003647800000000, -0.0001497600000000, -0.0000564200000000 ]  - [  -0.0000312900000000, -0.0000823700000000,  0.0001810600000000 ]  - [   0.0036472700000000, -0.0025162000000000, -0.0023778800000000 ]  - [  -0.0022106400000000,  0.0068019800000000,  0.0031359100000000 ]  - [  -0.0079682300000000,  0.0004476800000000,  0.0136759300000000 ]  - [  -0.0001330300000000, -0.0002412100000000,  0.0003108000000000 ]  - [   0.0004568800000000,  0.0000035500000000,  0.0000177100000000 ]  - [  -0.0001004000000000,  0.0002209300000000,  0.0000346700000000 ]  - [   0.0002613400000000,  0.0001248400000000,  0.0000328000000000 ]  - [  -0.0000812700000000,  0.0004644900000000,  0.0001280000000000 ]  - [   0.0003591500000000, -0.0003181100000000,  0.0007180100000000 ]- atom:   25  displacement:    [  -0.0049999998822658,  0.0086602541058182,  0.0000000000000000 ]  forces:  - [   0.0026186100000000,  0.0012888200000000, -0.0019730500000000 ]  - [   0.0009657800000000,  0.0002010400000000, -0.0003648300000000 ]  - [   0.0018242000000000,  0.0099236300000000,  0.0007695400000000 ]  - [  -0.0042769300000000,  0.0053962600000000,  0.0079353000000000 ]  - [   0.0063524000000000, -0.0147696600000000,  0.0036682600000000 ]  - [  -0.1042229800000000,  0.0751958700000000,  0.0273689100000000 ]  - [   0.0042508400000000, -0.0094487700000000,  0.0002809500000000 ]  - [   0.0178583100000000,  0.0032441600000000,  0.0027884400000000 ]  - [  -0.0003397800000000, -0.0003249500000000, -0.0006844400000000 ]  - [  -0.0105344500000000, -0.0102663800000000,  0.0067707900000000 ]  - [   0.0002447500000000, -0.0049675600000000, -0.0015069900000000 ]  - [  -0.0028562700000000,  0.0017050000000000, -0.0007576100000000 ]  - [  -0.0014222200000000,  0.0015560100000000,  0.0002769500000000 ]  - [   0.0001753400000000, -0.0004241000000000, -0.0004278900000000 ]  - [   0.0001523700000000,  0.0000067600000000, -0.0007142000000000 ]  - [  -0.0001659500000000,  0.0004071000000000, -0.0014745700000000 ]  - [  -0.0211613200000000,  0.0448188100000000,  0.0292557000000000 ]  - [  -0.0004241400000000, -0.0002805200000000,  0.0010298500000000 ]  - [  -0.0001520700000000,  0.0001148500000000, -0.0006303200000000 ]  - [   0.0003808500000000, -0.0000707200000000, -0.0005115400000000 ]  - [  -0.0000721300000000,  0.0003179900000000, -0.0007327200000000 ]  - [   0.0007451400000000, -0.0012860400000000, -0.0017870700000000 ]  - [  -0.0019265600000000,  0.0015186400000000, -0.0002905900000000 ]  - [   0.0002651800000000, -0.0008079200000000, -0.0012290800000000 ]  - [   0.1530565700000000, -0.1771116600000000, -0.0684491300000000 ]  - [   0.0014370500000000,  0.0235325900000000,  0.0010543000000000 ]  - [  -0.0210245100000000,  0.0062599400000000,  0.0006285700000000 ]  - [   0.0045230000000000, -0.0028507500000000, -0.0033346200000000 ]  - [   0.0002955300000000, -0.0007586900000000, -0.0003087900000000 ]  - [   0.0005104600000000,  0.0019423700000000, -0.0012338600000000 ]  - [  -0.0000541600000000, -0.0003021900000000, -0.0004629300000000 ]  - [  -0.0006026800000000,  0.0000596400000000,  0.0001846000000000 ]  - [  -0.0003458500000000, -0.0001156200000000,  0.0003952400000000 ]  - [  -0.0000937300000000,  0.0000344200000000, -0.0007021200000000 ]  - [  -0.0009342100000000, -0.0016845700000000,  0.0007624100000000 ]  - [  -0.0016612400000000,  0.0015178800000000,  0.0029993000000000 ]  - [  -0.0087289100000000,  0.0091299000000000, -0.0164702700000000 ]  - [  -0.0016801600000000, -0.0008432500000000, -0.0000422700000000 ]  - [  -0.0029807400000000,  0.0004535700000000, -0.0001801700000000 ]  - [  -0.0016479100000000, -0.0005201400000000, -0.0002790700000000 ]  - [  -0.0053766100000000, -0.0101903200000000, -0.0068983900000000 ]  - [  -0.0078461700000000,  0.0072184900000000, -0.0021346400000000 ]  - [  -0.0007076600000000,  0.0003022700000000,  0.0007467700000000 ]  - [  -0.0001789500000000, -0.0000830500000000,  0.0003944800000000 ]  - [   0.0001500900000000, -0.0000955800000000,  0.0005653400000000 ]  - [  -0.0008725900000000,  0.0013946200000000, -0.0001623300000000 ]  - [  -0.0000514200000000, -0.0006570500000000, -0.0011391900000000 ]  - [   0.0005963100000000, -0.0003470200000000, -0.0005904500000000 ]  - [   0.0049728500000000,  0.0014157200000000, -0.0000897700000000 ]  - [  -0.0031731900000000,  0.0066105400000000,  0.0004316900000000 ]  - [   0.0059157200000000,  0.0219588600000000, -0.0016899900000000 ]  - [   0.0000533900000000,  0.0001338600000000,  0.0002567400000000 ]  - [   0.0000640000000000, -0.0001720000000000,  0.0002768500000000 ]  - [   0.0000862100000000, -0.0000359700000000,  0.0003369500000000 ]  - [   0.0000215800000000, -0.0002485900000000, -0.0000568500000000 ]  - [   0.0004684000000000,  0.0005594900000000,  0.0002992900000000 ]  - [   0.0004221600000000,  0.0003408800000000,  0.0013663300000000 ]  - [   0.0003696100000000,  0.0004798000000000,  0.0006831400000000 ]  - [   0.0000492500000000, -0.0000137300000000,  0.0004117900000000 ]  - [   0.0002106900000000, -0.0004194100000000,  0.0002386000000000 ]  - [  -0.0004212200000000,  0.0004675300000000,  0.0004639000000000 ]  - [   0.0001866000000000, -0.0002796600000000,  0.0001304200000000 ]  - [   0.0001633500000000,  0.0000914100000000,  0.0003321900000000 ]  - [   0.0000207400000000, -0.0000529600000000, -0.0000294600000000 ]  - [  -0.0002004000000000,  0.0000962000000000,  0.0000578700000000 ]  - [   0.0000174400000000, -0.0001425300000000,  0.0000804200000000 ]  - [  -0.0000698500000000,  0.0000039900000000,  0.0000897700000000 ]  - [   0.0003196900000000, -0.0004381500000000,  0.0000736500000000 ]  - [  -0.0000065300000000,  0.0000807700000000,  0.0001811600000000 ]  - [   0.0064528300000000,  0.0002716000000000,  0.0050646000000000 ]  - [  -0.0048635500000000,  0.0116630700000000,  0.0059134100000000 ]  - [  -0.0056471100000000, -0.0018795200000000,  0.0096312500000000 ]  - [  -0.0000891900000000, -0.0002568400000000,  0.0005134700000000 ]  - [   0.0004447600000000, -0.0000516900000000,  0.0001917400000000 ]  - [  -0.0002790700000000,  0.0002861200000000,  0.0004929900000000 ]  - [   0.0003426700000000, -0.0000449200000000,  0.0008412500000000 ]  - [  -0.0001689400000000,  0.0005590800000000,  0.0002379700000000 ]  - [   0.0002766800000000, -0.0003170600000000,  0.0008660100000000 ]- atom:   25  displacement:    [   0.0049999998822658, -0.0086602541058182,  0.0000000000000000 ]  forces:  - [  -0.0026202400000000, -0.0012866100000000,  0.0017791000000000 ]  - [  -0.0009623500000000, -0.0001997600000000,  0.0005536700000000 ]  - [  -0.0018207100000000, -0.0101438400000000, -0.0006181800000000 ]  - [   0.0044155100000000, -0.0052907200000000, -0.0077737500000000 ]  - [  -0.0065046500000000,  0.0148239400000000, -0.0034855600000000 ]  - [   0.0972458300000000, -0.0706492100000000, -0.0263484000000000 ]  - [  -0.0044281600000000,  0.0093938300000000, -0.0004505400000000 ]  - [  -0.0177378400000000, -0.0034362100000000, -0.0029368200000000 ]  - [   0.0003407700000000,  0.0003219300000000,  0.0005043300000000 ]  - [   0.0104662700000000,  0.0102626600000000, -0.0065110400000000 ]  - [  -0.0002394300000000,  0.0047450200000000,  0.0016489500000000 ]  - [   0.0030684400000000, -0.0015710400000000,  0.0009533800000000 ]  - [   0.0012137600000000, -0.0014574100000000, -0.0001086000000000 ]  - [  -0.0001474600000000,  0.0006490100000000,  0.0002529700000000 ]  - [  -0.0003561400000000, -0.0000976300000000,  0.0005355000000000 ]  - [   0.0003412000000000, -0.0005289900000000,  0.0013002500000000 ]  - [   0.0226863100000000, -0.0486612000000000, -0.0329743300000000 ]  - [   0.0004352300000000,  0.0002576500000000, -0.0008190500000000 ]  - [   0.0001408900000000, -0.0003393600000000,  0.0008058700000000 ]  - [  -0.0001800100000000,  0.0001721000000000,  0.0006886100000000 ]  - [  -0.0001153900000000, -0.0001997100000000,  0.0009116900000000 ]  - [  -0.0007376900000000,  0.0015134000000000,  0.0016165100000000 ]  - [   0.0017201300000000, -0.0016120900000000,  0.0001228700000000 ]  - [  -0.0000732000000000,  0.0006767200000000,  0.0010513600000000 ]  - [  -0.1478720400000000,  0.1764256700000000,  0.0711287400000000 ]  - [  -0.0013961400000000, -0.0239484600000000, -0.0007845300000000 ]  - [   0.0215143800000000, -0.0063422000000000, -0.0003414400000000 ]  - [  -0.0044049300000000,  0.0029563900000000,  0.0030980300000000 ]  - [  -0.0004574900000000,  0.0007972300000000,  0.0000639400000000 ]  - [  -0.0004599600000000, -0.0021020400000000,  0.0009855100000000 ]  - [   0.0000564200000000,  0.0001669500000000,  0.0004874600000000 ]  - [   0.0007148300000000,  0.0000139300000000, -0.0001518200000000 ]  - [   0.0002277100000000,  0.0001788400000000, -0.0003639800000000 ]  - [   0.0000857600000000,  0.0000923400000000,  0.0006771500000000 ]  - [   0.0008288100000000,  0.0016169700000000, -0.0007853200000000 ]  - [   0.0017676700000000, -0.0015871600000000, -0.0030155800000000 ]  - [   0.0083144900000000, -0.0095049900000000,  0.0162163700000000 ]  - [   0.0022248500000000,  0.0007652800000000, -0.0000768700000000 ]  - [   0.0027756500000000,  0.0000684300000000,  0.0000605700000000 ]  - [   0.0019349800000000,  0.0009748800000000,  0.0003675500000000 ]  - [   0.0048805200000000,  0.0101838500000000,  0.0069873300000000 ]  - [   0.0080346900000000, -0.0076731900000000,  0.0022337300000000 ]  - [   0.0005897100000000, -0.0004320300000000, -0.0005146600000000 ]  - [   0.0003512100000000,  0.0000469900000000, -0.0001632400000000 ]  - [  -0.0002000000000000,  0.0002620300000000, -0.0003328500000000 ]  - [   0.0009696800000000, -0.0012544600000000, -0.0000492500000000 ]  - [  -0.0001266000000000,  0.0006926600000000,  0.0008955300000000 ]  - [  -0.0005348900000000,  0.0002069400000000,  0.0003449100000000 ]  - [  -0.0049801900000000, -0.0015520400000000,  0.0001201500000000 ]  - [   0.0032938100000000, -0.0065164500000000, -0.0003934700000000 ]  - [  -0.0060217600000000, -0.0214748800000000,  0.0017356100000000 ]  - [  -0.0000571300000000, -0.0000001100000000, -0.0002910800000000 ]  - [  -0.0001797100000000,  0.0001033200000000, -0.0003115100000000 ]  - [   0.0000329000000000, -0.0000276000000000, -0.0003696300000000 ]  - [  -0.0003506400000000, -0.0001977300000000, -0.0000356100000000 ]  - [   0.0000882300000000, -0.0006122500000000, -0.0003864000000000 ]  - [  -0.0006435300000000,  0.0001642700000000, -0.0014604700000000 ]  - [  -0.0000402900000000, -0.0000363900000000, -0.0005834200000000 ]  - [  -0.0006057400000000,  0.0000699200000000, -0.0003253200000000 ]  - [   0.0000200700000000, -0.0000900700000000, -0.0001462200000000 ]  - [   0.0003251200000000, -0.0005847000000000, -0.0002214000000000 ]  - [  -0.0000364200000000,  0.0002533600000000,  0.0001117900000000 ]  - [  -0.0002142600000000,  0.0000510100000000, -0.0000892200000000 ]  - [   0.0000764100000000,  0.0001677800000000, -0.0002180800000000 ]  - [   0.0000512900000000, -0.0000685900000000, -0.0003036500000000 ]  - [   0.0000344200000000,  0.0000005900000000, -0.0003253300000000 ]  - [   0.0000736300000000, -0.0001193500000000, -0.0000606200000000 ]  - [  -0.0002178300000000,  0.0004974200000000, -0.0000472000000000 ]  - [  -0.0001008500000000, -0.0000238800000000, -0.0001542200000000 ]  - [  -0.0065145900000000, -0.0000636700000000, -0.0050620200000000 ]  - [   0.0047443800000000, -0.0116767900000000, -0.0059422600000000 ]  - [   0.0057791700000000,  0.0019647200000000, -0.0097519700000000 ]  - [  -0.0002400400000000, -0.0001887800000000, -0.0006019700000000 ]  - [   0.0001091200000000, -0.0000096300000000, -0.0002834100000000 ]  - [   0.0000551100000000,  0.0002243200000000, -0.0005802600000000 ]  - [  -0.0000130600000000,  0.0004893100000000, -0.0007506700000000 ]  - [  -0.0003854000000000, -0.0004978300000000, -0.0001544300000000 ]  - [  -0.0000525600000000, -0.0001926300000000, -0.0007837900000000 ]- atom:   25  displacement:    [   0.0000000000000000,  0.0000000000000000,  0.0100000000000000 ]  forces:  - [   0.0010655500000000,  0.0005418600000000, -0.0018201700000000 ]  - [   0.0003195800000000,  0.0000783700000000, -0.0015598700000000 ]  - [   0.0050672900000000,  0.0083467800000000,  0.0028322700000000 ]  - [  -0.0094109300000000,  0.0014082300000000,  0.0053357000000000 ]  - [   0.0011308200000000, -0.0012632700000000,  0.0046457400000000 ]  - [  -0.0119872800000000,  0.0117416400000000,  0.0249502400000000 ]  - [   0.0018892200000000, -0.0012933000000000,  0.0016563300000000 ]  - [   0.0030167000000000, -0.0008931100000000,  0.0033032300000000 ]  - [  -0.0001165900000000, -0.0001800700000000, -0.0017873300000000 ]  - [  -0.0044675400000000, -0.0032917300000000,  0.0071376100000000 ]  - [  -0.0005931500000000, -0.0020392100000000, -0.0005007500000000 ]  - [  -0.0028082600000000, -0.0020115000000000, -0.0017813900000000 ]  - [   0.0018861700000000,  0.0015816900000000,  0.0002279800000000 ]  - [  -0.0001058000000000, -0.0002461600000000, -0.0013530600000000 ]  - [   0.0000679800000000,  0.0000545600000000, -0.0012727500000000 ]  - [   0.0003273800000000, -0.0001145900000000, -0.0020473000000000 ]  - [  -0.0103776300000000,  0.0373898600000000,  0.0524591300000000 ]  - [  -0.0008662600000000,  0.0013613100000000, -0.0031797500000000 ]  - [  -0.0002100400000000, -0.0001850000000000, -0.0016012200000000 ]  - [   0.0004994100000000,  0.0000495800000000, -0.0014160100000000 ]  - [  -0.0002337500000000,  0.0003853200000000, -0.0016170600000000 ]  - [   0.0006372000000000, -0.0009772300000000, -0.0020964000000000 ]  - [  -0.0007551400000000,  0.0013103100000000, -0.0021083900000000 ]  - [   0.0000469000000000, -0.0010158700000000, -0.0018936400000000 ]  - [   0.0233461200000000, -0.0653543700000000, -0.0847899700000000 ]  - [  -0.0007068800000000, -0.0001176000000000, -0.0015899500000000 ]  - [   0.0009464300000000, -0.0008008900000000, -0.0015805800000000 ]  - [   0.0014421400000000, -0.0028442900000000, -0.0018000100000000 ]  - [   0.0007897500000000,  0.0007894700000000, -0.0014334700000000 ]  - [  -0.0001665400000000,  0.0005415500000000, -0.0014387100000000 ]  - [   0.0000873000000000, -0.0002188700000000,  0.0003054000000000 ]  - [  -0.0002201500000000,  0.0002413600000000,  0.0006021200000000 ]  - [  -0.0000841700000000, -0.0000291200000000,  0.0005504700000000 ]  - [   0.0005623900000000,  0.0000035800000000, -0.0001134100000000 ]  - [  -0.0005141400000000, -0.0007389700000000,  0.0002965500000000 ]  - [  -0.0007149200000000,  0.0009055800000000,  0.0015889700000000 ]  - [   0.0060809000000000, -0.0054092100000000, -0.0078936600000000 ]  - [  -0.0013443200000000, -0.0021112300000000, -0.0026964000000000 ]  - [   0.0002714700000000,  0.0005485800000000, -0.0023708500000000 ]  - [  -0.0008118600000000,  0.0003553700000000, -0.0026333600000000 ]  - [  -0.0000367000000000, -0.0047483000000000, -0.0066649600000000 ]  - [  -0.0028035900000000,  0.0033096700000000, -0.0035650700000000 ]  - [  -0.0003276100000000,  0.0001745400000000,  0.0006894400000000 ]  - [  -0.0000592000000000, -0.0001790000000000,  0.0005670700000000 ]  - [  -0.0000170100000000,  0.0000013400000000,  0.0005743400000000 ]  - [   0.0001558000000000,  0.0000553600000000,  0.0000487200000000 ]  - [   0.0010864000000000, -0.0001162000000000,  0.0022036600000000 ]  - [  -0.0009974100000000, -0.0015747300000000,  0.0022080400000000 ]  - [   0.0014534300000000,  0.0003208900000000, -0.0010156700000000 ]  - [  -0.0004258000000000,  0.0024447200000000, -0.0006543300000000 ]  - [   0.0037199500000000,  0.0095497400000000, -0.0037961000000000 ]  - [   0.0000464800000000,  0.0001076400000000,  0.0006291300000000 ]  - [  -0.0000281900000000, -0.0000934100000000,  0.0006690100000000 ]  - [   0.0000973200000000, -0.0000027500000000,  0.0006932500000000 ]  - [  -0.0000191900000000, -0.0003496100000000,  0.0002830000000000 ]  - [   0.0003615500000000,  0.0002318600000000,  0.0003043900000000 ]  - [  -0.0003030900000000,  0.0006084000000000,  0.0012319800000000 ]  - [   0.0002676200000000,  0.0003679400000000,  0.0007148600000000 ]  - [   0.0000774800000000,  0.0003703400000000,  0.0012038700000000 ]  - [  -0.0003824400000000, -0.0003931400000000,  0.0008320000000000 ]  - [  -0.0004167700000000,  0.0004568600000000,  0.0006968600000000 ]  - [  -0.0000515000000000, -0.0004589200000000,  0.0005815500000000 ]  - [   0.0002544700000000,  0.0000910900000000,  0.0005738300000000 ]  - [   0.0000208500000000,  0.0001508600000000,  0.0003346200000000 ]  - [  -0.0002564700000000, -0.0001146100000000,  0.0004050600000000 ]  - [   0.0002057200000000, -0.0001351200000000,  0.0004053900000000 ]  - [   0.0002316500000000, -0.0002297500000000,  0.0007827400000000 ]  - [   0.0000015700000000,  0.0001854600000000,  0.0009819500000000 ]  - [  -0.0000217900000000, -0.0002940000000000,  0.0009029300000000 ]  - [   0.0074363900000000,  0.0070265300000000,  0.0084336700000000 ]  - [  -0.0022947400000000,  0.0051441400000000,  0.0017438800000000 ]  - [  -0.0101296700000000,  0.0014923800000000,  0.0090971300000000 ]  - [  -0.0000312000000000, -0.0004227000000000,  0.0009579700000000 ]  - [   0.0004332700000000,  0.0001173000000000,  0.0009031700000000 ]  - [  -0.0003753500000000,  0.0002875500000000,  0.0009947700000000 ]  - [   0.0004027300000000, -0.0000015800000000,  0.0014167800000000 ]  - [  -0.0001362000000000,  0.0004436400000000,  0.0008935600000000 ]  - [  -0.0001240600000000, -0.0003238000000000,  0.0012212600000000 ]- atom:   25  displacement:    [   0.0000000000000000,  0.0000000000000000, -0.0100000000000000 ]  forces:  - [  -0.0010763100000000, -0.0005458200000000,  0.0016408300000000 ]  - [  -0.0003254400000000, -0.0000796900000000,  0.0017410700000000 ]  - [  -0.0051180200000000, -0.0086380100000000, -0.0026943500000000 ]  - [   0.0096901900000000, -0.0013484700000000, -0.0052436800000000 ]  - [  -0.0013298400000000,  0.0014490200000000, -0.0044753100000000 ]  - [   0.0123530900000000, -0.0116956400000000, -0.0249816100000000 ]  - [  -0.0020925500000000,  0.0011901400000000, -0.0018315200000000 ]  - [  -0.0028779600000000,  0.0007583700000000, -0.0034791100000000 ]  - [   0.0001208600000000,  0.0001794200000000,  0.0016038900000000 ]  - [   0.0044846000000000,  0.0033199900000000, -0.0069737000000000 ]  - [   0.0005925600000000,  0.0018274500000000,  0.0006803700000000 ]  - [   0.0029873600000000,  0.0021076600000000,  0.0019499900000000 ]  - [  -0.0020523700000000, -0.0014694500000000, -0.0000466200000000 ]  - [   0.0001294000000000,  0.0004723800000000,  0.0011772900000000 ]  - [  -0.0002715000000000, -0.0001442200000000,  0.0010996300000000 ]  - [  -0.0001401600000000, -0.0000165500000000,  0.0018700100000000 ]  - [   0.0112968600000000, -0.0395991700000000, -0.0537206900000000 ]  - [   0.0008564800000000, -0.0013564500000000,  0.0033696300000000 ]  - [   0.0002033500000000, -0.0000451300000000,  0.0017758800000000 ]  - [  -0.0003012300000000,  0.0000537700000000,  0.0015903900000000 ]  - [   0.0000431400000000, -0.0002669500000000,  0.0017930200000000 ]  - [  -0.0006335100000000,  0.0012154400000000,  0.0019285900000000 ]  - [   0.0005621300000000, -0.0014226200000000,  0.0019417400000000 ]  - [   0.0001378400000000,  0.0009086000000000,  0.0017236100000000 ]  - [  -0.0250043700000000,  0.0678427700000000,  0.0863877000000000 ]  - [   0.0008556700000000,  0.0000998800000000,  0.0018398800000000 ]  - [  -0.0008921500000000,  0.0009459700000000,  0.0018491900000000 ]  - [  -0.0013277200000000,  0.0029852200000000,  0.0015791000000000 ]  - [  -0.0009720000000000, -0.0007564000000000,  0.0012114800000000 ]  - [   0.0002067600000000, -0.0007194300000000,  0.0012061900000000 ]  - [  -0.0000806400000000,  0.0000866700000000, -0.0002704400000000 ]  - [   0.0003372700000000, -0.0001701300000000, -0.0005679100000000 ]  - [  -0.0000358200000000,  0.0000898700000000, -0.0005199800000000 ]  - [  -0.0005565300000000,  0.0001234600000000,  0.0000855000000000 ]  - [   0.0004076400000000,  0.0006783200000000, -0.0003295600000000 ]  - [   0.0008328200000000, -0.0009726600000000, -0.0016262000000000 ]  - [  -0.0063645000000000,  0.0049341700000000,  0.0077972400000000 ]  - [   0.0019089400000000,  0.0020634900000000,  0.0026188100000000 ]  - [  -0.0004922800000000, -0.0000373500000000,  0.0022948400000000 ]  - [   0.0011323200000000,  0.0000969600000000,  0.0027295000000000 ]  - [  -0.0004361900000000,  0.0048214300000000,  0.0067887600000000 ]  - [   0.0030247200000000, -0.0038098600000000,  0.0036607200000000 ]  - [   0.0002067600000000, -0.0003082300000000, -0.0004639700000000 ]  - [   0.0002358800000000,  0.0001368200000000, -0.0003402500000000 ]  - [  -0.0000354800000000,  0.0001721900000000, -0.0003484800000000 ]  - [  -0.0000409900000000,  0.0000715200000000, -0.0002692500000000 ]  - [  -0.0012380600000000,  0.0001460200000000, -0.0023973200000000 ]  - [   0.0010372300000000,  0.0013907000000000, -0.0023931600000000 ]  - [  -0.0014531700000000, -0.0004491500000000,  0.0010446100000000 ]  - [   0.0005448900000000, -0.0023857600000000,  0.0006832000000000 ]  - [  -0.0038346900000000, -0.0095072700000000,  0.0037745000000000 ]  - [  -0.0000545200000000,  0.0000260800000000, -0.0006623200000000 ]  - [  -0.0000864300000000,  0.0000220700000000, -0.0007021400000000 ]  - [   0.0000219100000000, -0.0000586200000000, -0.0007263800000000 ]  - [  -0.0003095900000000, -0.0000935400000000, -0.0003753500000000 ]  - [   0.0001881300000000, -0.0002919500000000, -0.0003970700000000 ]  - [   0.0000756400000000, -0.0000954100000000, -0.0013170100000000 ]  - [   0.0000586600000000,  0.0000789400000000, -0.0006273400000000 ]  - [  -0.0006311500000000, -0.0003112800000000, -0.0011095500000000 ]  - [   0.0006021600000000, -0.0001166200000000, -0.0007415400000000 ]  - [   0.0003162500000000, -0.0005767200000000, -0.0004569000000000 ]  - [   0.0002034000000000,  0.0004302600000000, -0.0003406000000000 ]  - [  -0.0003027500000000,  0.0000563600000000, -0.0003333600000000 ]  - [   0.0000812200000000, -0.0000317400000000, -0.0005760000000000 ]  - [   0.0001039400000000,  0.0001460200000000, -0.0006462300000000 ]  - [  -0.0001562200000000, -0.0000127900000000, -0.0006462500000000 ]  - [  -0.0002219300000000,  0.0001106600000000, -0.0007516400000000 ]  - [   0.0000966800000000, -0.0001161700000000, -0.0009503000000000 ]  - [  -0.0000848900000000,  0.0003417900000000, -0.0008707600000000 ]  - [  -0.0076349500000000, -0.0070599600000000, -0.0086693500000000 ]  - [   0.0022032600000000, -0.0052328400000000, -0.0017916000000000 ]  - [   0.0104939800000000, -0.0015346900000000, -0.0093683700000000 ]  - [  -0.0002988900000000, -0.0000218700000000, -0.0010439200000000 ]  - [   0.0001186000000000, -0.0001784800000000, -0.0009896300000000 ]  - [   0.0001552600000000,  0.0002216200000000, -0.0010818600000000 ]  - [  -0.0000728400000000,  0.0004452200000000, -0.0013375300000000 ]  - [  -0.0004160000000000, -0.0003845400000000, -0.0008102400000000 ]  - [   0.0003457900000000, -0.0001851000000000, -0.0011408200000000 ]- atom:   31  displacement:    [   0.0100000000000000, -0.0000000001284888,  0.0000000000000000 ]  forces:  - [   0.0000828200000000, -0.0000458700000000, -0.0006891300000000 ]  - [   0.0688515700000000, -0.0047088000000000,  0.0362265700000000 ]  - [  -0.0048975600000000, -0.0015506400000000,  0.0011311300000000 ]  - [   0.0042222500000000, -0.0004105100000000,  0.0019766000000000 ]  - [   0.0033577000000000, -0.0010431300000000,  0.0022153000000000 ]  - [   0.0000048200000000,  0.0005463800000000, -0.0005948200000000 ]  - [  -0.0001148900000000,  0.0001815300000000,  0.0003476100000000 ]  - [  -0.0004486100000000, -0.0000733200000000,  0.0001203900000000 ]  - [  -0.0059338200000000, -0.0125014300000000,  0.0065091500000000 ]  - [   0.0001059600000000, -0.0013774100000000,  0.0000101100000000 ]  - [   0.0000115500000000, -0.0002348700000000,  0.0000399500000000 ]  - [  -0.0002362500000000,  0.0000346900000000,  0.0002197000000000 ]  - [   0.0000876100000000,  0.0001297000000000, -0.0000676000000000 ]  - [  -0.0008006800000000, -0.0003235500000000, -0.0002840600000000 ]  - [  -0.0005132400000000, -0.0004358000000000, -0.0006564300000000 ]  - [   0.0015831000000000, -0.0008550100000000,  0.0009501000000000 ]  - [  -0.0004162900000000,  0.0029825700000000, -0.0011326500000000 ]  - [  -0.0002659900000000,  0.0010049100000000,  0.0001654000000000 ]  - [   0.0140136200000000,  0.0028065100000000,  0.0006238400000000 ]  - [   0.0049025900000000,  0.0053654500000000, -0.0022786000000000 ]  - [  -0.0084808800000000,  0.0009308500000000,  0.0107404200000000 ]  - [  -0.0066870200000000, -0.0094510400000000, -0.0070958100000000 ]  - [   0.0522002000000000, -0.0149104500000000,  0.0170734800000000 ]  - [  -0.0101711700000000,  0.0141422600000000, -0.0043856900000000 ]  - [  -0.0001301700000000, -0.0001721100000000,  0.0001951600000000 ]  - [   0.0001634100000000, -0.0003718500000000,  0.0001744500000000 ]  - [   0.0003238100000000, -0.0001929100000000,  0.0004295000000000 ]  - [   0.0008893300000000,  0.0004530000000000,  0.0004456000000000 ]  - [   0.0000122500000000,  0.0005533600000000, -0.0005569700000000 ]  - [  -0.0009691000000000,  0.0001505700000000, -0.0005028500000000 ]  - [  -0.2079555000000000,  0.0173435700000000, -0.0521710100000000 ]  - [   0.0179032900000000, -0.0184058900000000,  0.0028487000000000 ]  - [   0.0240778300000000,  0.0148118900000000,  0.0041638300000000 ]  - [   0.0002027600000000,  0.0000427000000000,  0.0000705600000000 ]  - [  -0.0001294800000000, -0.0000398600000000,  0.0000870900000000 ]  - [  -0.0000183400000000, -0.0000245800000000,  0.0000871500000000 ]  - [  -0.0010113600000000,  0.0001399800000000,  0.0028377200000000 ]  - [   0.0004974000000000,  0.0000977500000000, -0.0006843600000000 ]  - [   0.0000341600000000,  0.0001574200000000, -0.0006142500000000 ]  - [   0.0005491000000000,  0.0004051000000000,  0.0000591500000000 ]  - [  -0.0006930600000000, -0.0003240200000000, -0.0004271500000000 ]  - [  -0.0001519100000000,  0.0001070400000000, -0.0002556700000000 ]  - [   0.0001345700000000, -0.0000400200000000,  0.0003435000000000 ]  - [   0.0002398600000000, -0.0000250400000000,  0.0003761200000000 ]  - [  -0.0005693900000000,  0.0000322000000000,  0.0002700900000000 ]  - [  -0.0000053000000000,  0.0000954800000000, -0.0000634700000000 ]  - [   0.0000407900000000, -0.0000439400000000, -0.0001575100000000 ]  - [  -0.0001554400000000, -0.0002193600000000, -0.0001806200000000 ]  - [   0.0002525400000000,  0.0000682700000000,  0.0000706900000000 ]  - [   0.0000825900000000,  0.0001475200000000, -0.0001280000000000 ]  - [   0.0000941900000000,  0.0003673400000000,  0.0001014400000000 ]  - [  -0.0037809900000000,  0.0012545800000000, -0.0019255100000000 ]  - [   0.0010936800000000,  0.0011698800000000, -0.0021256900000000 ]  - [  -0.0011065200000000,  0.0000931600000000,  0.0006484700000000 ]  - [  -0.0000828800000000, -0.0001739200000000,  0.0000259900000000 ]  - [   0.0003111900000000,  0.0000403100000000,  0.0000845400000000 ]  - [  -0.0001318600000000,  0.0003454200000000, -0.0002211700000000 ]  - [  -0.0000729500000000,  0.0005151800000000, -0.0000235600000000 ]  - [  -0.0000825300000000,  0.0002702200000000, -0.0002045100000000 ]  - [   0.0000385200000000, -0.0002498500000000,  0.0001713600000000 ]  - [  -0.0023401400000000,  0.0043838700000000,  0.0015821900000000 ]  - [   0.0109346500000000,  0.0190291800000000, -0.0100629400000000 ]  - [   0.0072807800000000,  0.0018436400000000,  0.0024605400000000 ]  - [  -0.0035007900000000,  0.0054219400000000,  0.0073949400000000 ]  - [  -0.0009113200000000, -0.0046801500000000,  0.0037140400000000 ]  - [   0.0125547700000000,  0.0007448000000000,  0.0054961700000000 ]  - [   0.0002589100000000, -0.0005899800000000,  0.0002965500000000 ]  - [   0.0000548300000000, -0.0003922600000000, -0.0007772300000000 ]  - [   0.0000890300000000, -0.0001592400000000,  0.0003446800000000 ]  - [  -0.0016647300000000, -0.0015633000000000,  0.0009152000000000 ]  - [   0.0002871100000000, -0.0004287100000000, -0.0010578200000000 ]  - [   0.0025511400000000, -0.0009124100000000,  0.0021042800000000 ]  - [   0.0027573800000000, -0.0044365000000000,  0.0017052000000000 ]  - [   0.0029653800000000, -0.0080178300000000, -0.0138633500000000 ]  - [   0.0008105000000000, -0.0014492800000000,  0.0013835500000000 ]  - [   0.0001346500000000, -0.0081763200000000,  0.0014212200000000 ]  - [   0.0002452000000000,  0.0023344200000000,  0.0035256900000000 ]  - [   0.0271408000000000, -0.0015334500000000, -0.0209966800000000 ]- atom:   31  displacement:    [  -0.0100000000000000,  0.0000000001284888,  0.0000000000000000 ]  forces:  - [  -0.0000883500000000,  0.0000509900000000,  0.0005157300000000 ]  - [  -0.0741460300000000,  0.0054153900000000, -0.0403718000000000 ]  - [   0.0048931600000000,  0.0013338700000000, -0.0009983200000000 ]  - [  -0.0040460500000000,  0.0004554600000000, -0.0017363500000000 ]  - [  -0.0035343100000000,  0.0012336600000000, -0.0019916900000000 ]  - [   0.0000035500000000, -0.0003203000000000,  0.0004432600000000 ]  - [  -0.0000878500000000, -0.0002869700000000, -0.0005134800000000 ]  - [   0.0006263200000000, -0.0000294800000000, -0.0002766100000000 ]  - [   0.0059194000000000,  0.0124806900000000, -0.0066341800000000 ]  - [  -0.0001098300000000,  0.0013554100000000,  0.0001936800000000 ]  - [  -0.0000099700000000,  0.0000171100000000,  0.0001488700000000 ]  - [   0.0004234700000000,  0.0000662000000000, -0.0000319100000000 ]  - [  -0.0002657100000000, -0.0000273800000000,  0.0002577900000000 ]  - [   0.0008187700000000,  0.0005482300000000,  0.0001242800000000 ]  - [   0.0003086900000000,  0.0003385300000000,  0.0004940200000000 ]  - [  -0.0013904900000000,  0.0007251700000000, -0.0011047000000000 ]  - [   0.0004309400000000, -0.0029804400000000,  0.0009549900000000 ]  - [   0.0002633100000000, -0.0010010600000000,  0.0000462200000000 ]  - [  -0.0139666800000000, -0.0030565800000000, -0.0005169500000000 ]  - [  -0.0046813300000000, -0.0052287400000000,  0.0024589300000000 ]  - [   0.0082932200000000, -0.0008183700000000, -0.0106187700000000 ]  - [   0.0067763000000000,  0.0098103400000000,  0.0069592300000000 ]  - [  -0.0470738500000000,  0.0140089600000000, -0.0174975100000000 ]  - [   0.0104101800000000, -0.0144103000000000,  0.0042502900000000 ]  - [   0.0000166300000000,  0.0000438300000000,  0.0000211800000000 ]  - [   0.0000050200000000,  0.0003407300000000,  0.0000416200000000 ]  - [  -0.0003713000000000,  0.0003538400000000, -0.0002108700000000 ]  - [  -0.0007778400000000, -0.0003067300000000, -0.0006679600000000 ]  - [  -0.0001718500000000, -0.0004617900000000,  0.0003013100000000 ]  - [   0.0010049800000000, -0.0003223600000000,  0.0002688700000000 ]  - [   0.2081728200000000, -0.0175619300000000,  0.0569576700000000 ]  - [  -0.0181744500000000,  0.0190086600000000, -0.0027567700000000 ]  - [  -0.0247996000000000, -0.0152155600000000, -0.0040756800000000 ]  - [  -0.0002009900000000,  0.0000829300000000, -0.0001018300000000 ]  - [   0.0000200200000000, -0.0000246700000000, -0.0001224600000000 ]  - [   0.0001302200000000, -0.0000388600000000, -0.0001192800000000 ]  - [   0.0006693900000000, -0.0005819100000000, -0.0029336600000000 ]  - [   0.0000689800000000, -0.0001516700000000,  0.0005958600000000 ]  - [  -0.0002234200000000,  0.0003454300000000,  0.0004996600000000 ]  - [  -0.0002186100000000,  0.0000332000000000,  0.0000425700000000 ]  - [   0.0001349100000000,  0.0003727400000000,  0.0004922800000000 ]  - [   0.0003835000000000, -0.0006173500000000,  0.0003198000000000 ]  - [  -0.0002523700000000, -0.0000941000000000, -0.0001158000000000 ]  - [  -0.0000634100000000, -0.0000134300000000, -0.0001480400000000 ]  - [   0.0005132800000000,  0.0001380200000000, -0.0000434300000000 ]  - [   0.0001154100000000,  0.0000336600000000, -0.0001598200000000 ]  - [  -0.0002063000000000,  0.0000801000000000, -0.0000674500000000 ]  - [   0.0002016800000000,  0.0000583000000000, -0.0000469200000000 ]  - [  -0.0002556600000000, -0.0001908300000000, -0.0000516900000000 ]  - [   0.0000300800000000, -0.0000881400000000,  0.0001476100000000 ]  - [  -0.0002124000000000, -0.0003096100000000, -0.0000825000000000 ]  - [   0.0037479800000000, -0.0011155800000000,  0.0018719600000000 ]  - [  -0.0012007600000000, -0.0012481600000000,  0.0020754000000000 ]  - [   0.0012213100000000, -0.0001570500000000, -0.0006843300000000 ]  - [  -0.0002475600000000, -0.0002677900000000, -0.0001316900000000 ]  - [   0.0002401500000000, -0.0001006000000000, -0.0001879600000000 ]  - [  -0.0000908200000000,  0.0001649100000000,  0.0001159400000000 ]  - [   0.0003993500000000, -0.0000653800000000,  0.0001111300000000 ]  - [  -0.0004728700000000, -0.0002120200000000,  0.0002932300000000 ]  - [   0.0001871300000000, -0.0002597800000000, -0.0000833400000000 ]  - [   0.0022307500000000, -0.0044663600000000, -0.0013292300000000 ]  - [  -0.0105998100000000, -0.0188655200000000,  0.0102151800000000 ]  - [  -0.0073170700000000, -0.0016896400000000, -0.0022125900000000 ]  - [   0.0037170500000000, -0.0053867700000000, -0.0076676000000000 ]  - [   0.0008647200000000,  0.0047378600000000, -0.0039679800000000 ]  - [  -0.0124648600000000, -0.0008791900000000, -0.0057333200000000 ]  - [  -0.0002486700000000,  0.0004689300000000, -0.0002695300000000 ]  - [   0.0000434800000000,  0.0004558000000000,  0.0007967700000000 ]  - [  -0.0001943000000000,  0.0002090900000000, -0.0003207500000000 ]  - [   0.0016373400000000,  0.0016976600000000, -0.0009634900000000 ]  - [  -0.0003758400000000,  0.0003228400000000,  0.0010206200000000 ]  - [  -0.0024605000000000,  0.0008463300000000, -0.0021243700000000 ]  - [  -0.0031028800000000,  0.0039706500000000, -0.0018233400000000 ]  - [  -0.0024174200000000,  0.0079060700000000,  0.0136340000000000 ]  - [  -0.0010322900000000,  0.0019737700000000, -0.0014922100000000 ]  - [   0.0001443000000000,  0.0086937600000000, -0.0013257700000000 ]  - [  -0.0008149800000000, -0.0023188700000000, -0.0034555300000000 ]  - [  -0.0266984700000000,  0.0009921500000000,  0.0210995100000000 ]- atom:   31  displacement:    [  -0.0049999998822658,  0.0086602541058182,  0.0000000000000000 ]  forces:  - [   0.0000007400000000,  0.0004461900000000,  0.0002158300000000 ]  - [  -0.0392258700000000,  0.0199261000000000, -0.0209368600000000 ]  - [   0.0031862800000000,  0.0018455700000000, -0.0005128700000000 ]  - [  -0.0015173400000000,  0.0000411100000000,  0.0012813800000000 ]  - [  -0.0031953200000000, -0.0009391800000000, -0.0045490900000000 ]  - [   0.0001468000000000,  0.0009210000000000, -0.0001486600000000 ]  - [   0.0009102000000000, -0.0003948400000000, -0.0007334600000000 ]  - [   0.0000390100000000, -0.0001970700000000,  0.0004298200000000 ]  - [   0.0021009100000000,  0.0036346000000000, -0.0012035100000000 ]  - [  -0.0011693600000000,  0.0002317500000000,  0.0002834600000000 ]  - [  -0.0001084100000000, -0.0002232500000000,  0.0000371900000000 ]  - [   0.0002645100000000,  0.0001109100000000,  0.0000295100000000 ]  - [  -0.0000813700000000, -0.0000731800000000,  0.0001771200000000 ]  - [   0.0006546400000000,  0.0001148900000000,  0.0000851800000000 ]  - [  -0.0003766700000000, -0.0001640100000000, -0.0000911000000000 ]  - [  -0.0009587500000000,  0.0008454500000000, -0.0004826100000000 ]  - [   0.0007806400000000, -0.0027111900000000,  0.0004552300000000 ]  - [   0.0002950600000000, -0.0007392000000000,  0.0000104000000000 ]  - [  -0.0049375700000000, -0.0054718800000000, -0.0031363500000000 ]  - [  -0.0029401500000000, -0.0080171300000000,  0.0015244300000000 ]  - [   0.0049185700000000,  0.0005319200000000, -0.0069553100000000 ]  - [   0.0014230400000000,  0.0003587700000000,  0.0024749500000000 ]  - [  -0.0329020500000000,  0.0171047500000000, -0.0109820800000000 ]  - [   0.0095599100000000, -0.0164095800000000,  0.0043459300000000 ]  - [   0.0000749100000000, -0.0001930300000000, -0.0000662600000000 ]  - [  -0.0000750800000000,  0.0004075300000000,  0.0000831700000000 ]  - [   0.0002838100000000,  0.0004278400000000,  0.0000701800000000 ]  - [  -0.0003125900000000, -0.0001230200000000, -0.0004447400000000 ]  - [   0.0004618000000000,  0.0016863600000000, -0.0008902600000000 ]  - [   0.0018971900000000,  0.0000297500000000,  0.0007291300000000 ]  - [   0.1191233500000000, -0.0460884700000000,  0.0340838300000000 ]  - [  -0.0198197500000000,  0.0170979000000000, -0.0016521100000000 ]  - [  -0.0048505400000000, -0.0055465000000000, -0.0020301100000000 ]  - [  -0.0001158400000000, -0.0000199800000000, -0.0000574400000000 ]  - [  -0.0000268900000000, -0.0000989600000000, -0.0000960100000000 ]  - [   0.0000999600000000, -0.0001108200000000, -0.0000143100000000 ]  - [   0.0006946800000000, -0.0014205600000000, -0.0009304100000000 ]  - [  -0.0005587600000000, -0.0002934300000000,  0.0006089900000000 ]  - [   0.0011717700000000,  0.0001671700000000, -0.0008587900000000 ]  - [  -0.0000175700000000, -0.0001869600000000,  0.0000250300000000 ]  - [  -0.0004859700000000, -0.0002552700000000, -0.0011020200000000 ]  - [  -0.0000618200000000, -0.0004569800000000,  0.0018302700000000 ]  - [  -0.0002986600000000, -0.0001018900000000, -0.0001481500000000 ]  - [   0.0000621700000000, -0.0000593900000000,  0.0001458700000000 ]  - [   0.0002435900000000, -0.0000732300000000,  0.0000068800000000 ]  - [   0.0000621500000000,  0.0001058600000000, -0.0000981700000000 ]  - [  -0.0001711300000000,  0.0000361400000000, -0.0000712400000000 ]  - [   0.0000835200000000,  0.0000111800000000, -0.0000745100000000 ]  - [  -0.0005885900000000,  0.0000084200000000, -0.0002420100000000 ]  - [   0.0000916300000000,  0.0002136100000000,  0.0001259500000000 ]  - [  -0.0001681900000000, -0.0003235400000000,  0.0001284500000000 ]  - [   0.0029154000000000, -0.0001409100000000,  0.0010220900000000 ]  - [  -0.0001468600000000, -0.0014222500000000,  0.0003649700000000 ]  - [   0.0013025900000000,  0.0011209200000000, -0.0005319000000000 ]  - [  -0.0002710800000000, -0.0001704700000000, -0.0001287500000000 ]  - [   0.0003431000000000,  0.0000280100000000, -0.0000198300000000 ]  - [  -0.0000767200000000,  0.0001571200000000,  0.0000239200000000 ]  - [   0.0003712000000000,  0.0000912900000000,  0.0000256200000000 ]  - [  -0.0003925800000000, -0.0001367000000000,  0.0001558100000000 ]  - [   0.0001432100000000, -0.0001931300000000,  0.0000862100000000 ]  - [   0.0006499600000000, -0.0010495000000000, -0.0002716100000000 ]  - [   0.0018456400000000, -0.0079842400000000,  0.0039238200000000 ]  - [  -0.0041256700000000,  0.0001769000000000, -0.0017370100000000 ]  - [   0.0041143600000000, -0.0011826500000000,  0.0022138200000000 ]  - [  -0.0023879500000000,  0.0079858900000000, -0.0105147700000000 ]  - [  -0.0076580400000000, -0.0011795100000000, -0.0034792200000000 ]  - [  -0.0000114700000000,  0.0003414800000000, -0.0002234900000000 ]  - [   0.0000092700000000,  0.0001836200000000,  0.0006063400000000 ]  - [  -0.0002297600000000,  0.0002622300000000, -0.0001416300000000 ]  - [  -0.0005910800000000,  0.0013208100000000, -0.0008961600000000 ]  - [  -0.0009023500000000,  0.0023649400000000,  0.0013561100000000 ]  - [  -0.0016017100000000,  0.0007385800000000, -0.0014191900000000 ]  - [  -0.0011958800000000,  0.0030006300000000, -0.0004294400000000 ]  - [  -0.0038918700000000,  0.0033739500000000,  0.0085882700000000 ]  - [  -0.0020289000000000,  0.0027969100000000, -0.0009290200000000 ]  - [  -0.0037904600000000,  0.0126508900000000, -0.0010677200000000 ]  - [   0.0002966700000000,  0.0011515600000000, -0.0006375000000000 ]  - [  -0.0163556200000000,  0.0001014000000000,  0.0133805000000000 ]- atom:   31  displacement:    [   0.0049999998822658, -0.0086602541058182,  0.0000000000000000 ]  forces:  - [  -0.0000059300000000, -0.0004396200000000, -0.0004011400000000 ]  - [   0.0375936000000000, -0.0201676500000000,  0.0198835700000000 ]  - [  -0.0032042300000000, -0.0020601600000000,  0.0006752800000000 ]  - [   0.0017278500000000,  0.0000227600000000, -0.0010693300000000 ]  - [   0.0029884100000000,  0.0011103500000000,  0.0047511200000000 ]  - [  -0.0001388700000000, -0.0007021600000000, -0.0000157100000000 ]  - [  -0.0011076500000000,  0.0002939600000000,  0.0005611000000000 ]  - [   0.0001394600000000,  0.0000880600000000, -0.0006024000000000 ]  - [  -0.0020674800000000, -0.0036084400000000,  0.0009898400000000 ]  - [   0.0011768600000000, -0.0002382000000000, -0.0000896500000000 ]  - [   0.0001036600000000,  0.0000005000000000,  0.0001393600000000 ]  - [  -0.0000705700000000, -0.0000124400000000,  0.0001465300000000 ]  - [  -0.0000975800000000,  0.0001827900000000, -0.0000003700000000 ]  - [  -0.0006275000000000,  0.0001097900000000, -0.0002573400000000 ]  - [   0.0001703400000000,  0.0000711800000000, -0.0000856600000000 ]  - [   0.0011424800000000, -0.0009770600000000,  0.0003143300000000 ]  - [  -0.0007841000000000,  0.0027096800000000, -0.0006467600000000 ]  - [  -0.0002973900000000,  0.0007411700000000,  0.0001851200000000 ]  - [   0.0049933900000000,  0.0051970200000000,  0.0033187100000000 ]  - [   0.0031149000000000,  0.0080995900000000, -0.0013436600000000 ]  - [  -0.0051105700000000, -0.0004201600000000,  0.0071110200000000 ]  - [  -0.0014367600000000, -0.0001317500000000, -0.0026468400000000 ]  - [   0.0345618200000000, -0.0172293600000000,  0.0108078100000000 ]  - [  -0.0093431100000000,  0.0162296100000000, -0.0045042100000000 ]  - [  -0.0001884600000000,  0.0000643000000000,  0.0002839400000000 ]  - [   0.0002452100000000, -0.0004429100000000,  0.0001338100000000 ]  - [  -0.0003329400000000, -0.0002651700000000,  0.0001497800000000 ]  - [   0.0004317000000000,  0.0002582600000000,  0.0002169000000000 ]  - [  -0.0006341400000000, -0.0016370800000000,  0.0006554600000000 ]  - [  -0.0018461400000000, -0.0002024400000000, -0.0009608400000000 ]  - [  -0.1190929900000000,  0.0461813700000000, -0.0326462700000000 ]  - [   0.0194831200000000, -0.0166458700000000,  0.0017284800000000 ]  - [   0.0047196400000000,  0.0055049900000000,  0.0021033600000000 ]  - [   0.0001161400000000,  0.0001455800000000,  0.0000307800000000 ]  - [  -0.0000830600000000,  0.0000343300000000,  0.0000667300000000 ]  - [   0.0000127400000000,  0.0000475000000000, -0.0000133700000000 ]  - [  -0.0010282800000000,  0.0009826500000000,  0.0008188600000000 ]  - [   0.0011140900000000,  0.0002335700000000, -0.0006935900000000 ]  - [  -0.0013966100000000,  0.0003409800000000,  0.0007679900000000 ]  - [   0.0003463400000000,  0.0006282600000000,  0.0000688200000000 ]  - [  -0.0000633400000000,  0.0003153800000000,  0.0011920900000000 ]  - [   0.0002868900000000, -0.0000531900000000, -0.0017408300000000 ]  - [   0.0001756600000000, -0.0000314400000000,  0.0003757100000000 ]  - [   0.0001145000000000,  0.0000167600000000,  0.0000841000000000 ]  - [  -0.0002955000000000,  0.0002445300000000,  0.0002211600000000 ]  - [   0.0000489500000000,  0.0000260100000000, -0.0001193300000000 ]  - [   0.0000022600000000, -0.0000001200000000, -0.0001478100000000 ]  - [  -0.0000351600000000, -0.0001745600000000, -0.0001466400000000 ]  - [   0.0005871500000000, -0.0001340400000000,  0.0002670900000000 ]  - [   0.0000182700000000, -0.0001510900000000, -0.0001001600000000 ]  - [   0.0000537900000000,  0.0003846300000000, -0.0001057400000000 ]  - [  -0.0029060100000000,  0.0002717700000000, -0.0010497100000000 ]  - [   0.0000242100000000,  0.0013603100000000, -0.0003886400000000 ]  - [  -0.0011921500000000, -0.0011773400000000,  0.0004935100000000 ]  - [  -0.0000582500000000, -0.0002718500000000,  0.0000363700000000 ]  - [   0.0002081200000000, -0.0000864500000000, -0.0000706800000000 ]  - [  -0.0001469100000000,  0.0003520600000000, -0.0001170800000000 ]  - [  -0.0000427700000000,  0.0003557000000000,  0.0000628700000000 ]  - [  -0.0001617600000000,  0.0001962300000000, -0.0000655100000000 ]  - [   0.0000794600000000, -0.0003162300000000,  0.0000039100000000 ]  - [  -0.0007470400000000,  0.0009247700000000,  0.0005157000000000 ]  - [  -0.0018030200000000,  0.0079027900000000, -0.0036281600000000 ]  - [   0.0040113100000000, -0.0000470000000000,  0.0019617600000000 ]  - [  -0.0039819200000000,  0.0012908600000000, -0.0024520500000000 ]  - [   0.0022648000000000, -0.0078918400000000,  0.0101060200000000 ]  - [   0.0077481500000000,  0.0010362100000000,  0.0032563800000000 ]  - [   0.0000227000000000, -0.0004607500000000,  0.0002549800000000 ]  - [   0.0000896600000000, -0.0001192000000000, -0.0005802500000000 ]  - [   0.0001225100000000, -0.0002115200000000,  0.0001709600000000 ]  - [   0.0005779400000000, -0.0011971600000000,  0.0008631000000000 ]  - [   0.0008075000000000, -0.0024396700000000, -0.0013906000000000 ]  - [   0.0017037600000000, -0.0007957200000000,  0.0013928700000000 ]  - [   0.0008710600000000, -0.0034528500000000,  0.0003430000000000 ]  - [   0.0044868600000000, -0.0034170200000000, -0.0087642100000000 ]  - [   0.0018290800000000, -0.0022859800000000,  0.0008168900000000 ]  - [   0.0041570100000000, -0.0123475500000000,  0.0011013200000000 ]  - [  -0.0008392800000000, -0.0010816300000000,  0.0007250700000000 ]  - [   0.0166941200000000, -0.0006315800000000, -0.0133090500000000 ]- atom:   31  displacement:    [   0.0000000000000000,  0.0000000000000000,  0.0100000000000000 ]  forces:  - [  -0.0000998000000000,  0.0000671200000000, -0.0029257100000000 ]  - [   0.0502937000000000, -0.0037503800000000,  0.0639750700000000 ]  - [  -0.0011268900000000, -0.0006582100000000,  0.0009149700000000 ]  - [   0.0012007100000000,  0.0027257100000000, -0.0025062700000000 ]  - [   0.0005159400000000, -0.0050449000000000, -0.0019924400000000 ]  - [  -0.0009225500000000,  0.0003880700000000, -0.0027999800000000 ]  - [   0.0006919500000000,  0.0001457400000000, -0.0013495400000000 ]  - [   0.0001448500000000, -0.0000749100000000, -0.0018934700000000 ]  - [  -0.0000583400000000, -0.0021913100000000,  0.0035679200000000 ]  - [   0.0004056400000000,  0.0004720100000000, -0.0016679200000000 ]  - [  -0.0001753700000000, -0.0005231100000000, -0.0018558000000000 ]  - [   0.0003529300000000,  0.0002007900000000, -0.0015583900000000 ]  - [  -0.0002285500000000,  0.0003775400000000, -0.0018233700000000 ]  - [  -0.0006347800000000, -0.0003416100000000, -0.0014428400000000 ]  - [  -0.0002191300000000, -0.0004833900000000, -0.0020869500000000 ]  - [   0.0008013300000000,  0.0004294200000000, -0.0019957400000000 ]  - [  -0.0007667500000000,  0.0007814000000000, -0.0017079100000000 ]  - [  -0.0000111800000000,  0.0000027000000000, -0.0022164200000000 ]  - [   0.0068223700000000, -0.0089988500000000, -0.0008784900000000 ]  - [   0.0026652400000000,  0.0083611100000000,  0.0022917500000000 ]  - [   0.0005326900000000,  0.0002397600000000,  0.0053118000000000 ]  - [  -0.0005030100000000,  0.0017329600000000,  0.0020222800000000 ]  - [  -0.0095706500000000, -0.0029010600000000,  0.0276665000000000 ]  - [  -0.0004608300000000, -0.0008122600000000,  0.0032321800000000 ]  - [   0.0003520600000000, -0.0003798000000000,  0.0003944400000000 ]  - [  -0.0001100600000000, -0.0003469600000000,  0.0006437900000000 ]  - [   0.0001449700000000, -0.0000497900000000,  0.0006941300000000 ]  - [   0.0005926900000000, -0.0004341100000000, -0.0002187300000000 ]  - [  -0.0009143600000000, -0.0029946500000000,  0.0015007100000000 ]  - [   0.0007987800000000,  0.0001312200000000,  0.0001968800000000 ]  - [  -0.0530730000000000,  0.0068532500000000, -0.1004415400000000 ]  - [  -0.0019843900000000,  0.0036184600000000, -0.0025297000000000 ]  - [  -0.0017428100000000, -0.0022454400000000, -0.0025247100000000 ]  - [   0.0000840400000000,  0.0000620400000000,  0.0008052900000000 ]  - [  -0.0001568800000000,  0.0000258900000000,  0.0009263200000000 ]  - [  -0.0000250100000000, -0.0001040700000000,  0.0009283600000000 ]  - [   0.0009805500000000, -0.0004395100000000,  0.0057414400000000 ]  - [  -0.0001896400000000, -0.0000358600000000, -0.0000238100000000 ]  - [  -0.0020721200000000,  0.0004750400000000,  0.0012285100000000 ]  - [   0.0001823000000000,  0.0004318400000000,  0.0004021700000000 ]  - [  -0.0000486400000000,  0.0003208200000000,  0.0020264200000000 ]  - [  -0.0006278400000000,  0.0000812200000000,  0.0019290200000000 ]  - [   0.0000908100000000,  0.0001111300000000,  0.0008816600000000 ]  - [   0.0000863400000000, -0.0002159500000000,  0.0010001300000000 ]  - [   0.0000379500000000, -0.0000300800000000,  0.0010800900000000 ]  - [  -0.0000492200000000,  0.0003206600000000,  0.0005384100000000 ]  - [  -0.0002795100000000, -0.0002760300000000,  0.0006014800000000 ]  - [   0.0003185500000000, -0.0001370900000000,  0.0005770900000000 ]  - [   0.0002862300000000, -0.0001767100000000,  0.0008547700000000 ]  - [  -0.0001238100000000,  0.0003166600000000,  0.0008315700000000 ]  - [   0.0005394200000000,  0.0005988900000000,  0.0008732900000000 ]  - [  -0.0018959900000000,  0.0001642800000000, -0.0007775200000000 ]  - [  -0.0002137300000000,  0.0006454400000000, -0.0007367300000000 ]  - [   0.0004395800000000,  0.0021732300000000, -0.0007395300000000 ]  - [   0.0000226900000000, -0.0004058600000000,  0.0009503400000000 ]  - [   0.0004049100000000,  0.0002448800000000,  0.0010985700000000 ]  - [  -0.0004026400000000,  0.0002408300000000,  0.0011431700000000 ]  - [   0.0002801200000000,  0.0000028900000000,  0.0011440600000000 ]  - [  -0.0001657500000000,  0.0002867500000000,  0.0008496700000000 ]  - [  -0.0001726500000000, -0.0001979100000000,  0.0011902200000000 ]  - [   0.0000009800000000, -0.0001568500000000, -0.0009087900000000 ]  - [  -0.0014957700000000,  0.0028022900000000, -0.0036335400000000 ]  - [   0.0003815900000000,  0.0006577700000000, -0.0005486500000000 ]  - [   0.0024152800000000,  0.0071882500000000,  0.0083260400000000 ]  - [   0.0039770000000000, -0.0133963900000000,  0.0089987400000000 ]  - [   0.0059531000000000,  0.0001193600000000,  0.0016497600000000 ]  - [   0.0000665500000000, -0.0003170000000000,  0.0008560900000000 ]  - [  -0.0001606700000000,  0.0000208300000000,  0.0008776100000000 ]  - [   0.0000586000000000,  0.0001178500000000,  0.0008324900000000 ]  - [   0.0009404500000000, -0.0004115300000000,  0.0004394800000000 ]  - [  -0.0007612400000000,  0.0020081200000000,  0.0002424700000000 ]  - [   0.0014261500000000,  0.0003871400000000,  0.0002378000000000 ]  - [   0.0000495400000000, -0.0021309700000000, -0.0017179200000000 ]  - [  -0.0123155500000000,  0.0038384700000000,  0.0010698700000000 ]  - [   0.0009365600000000,  0.0002194500000000, -0.0018140200000000 ]  - [  -0.0014798100000000,  0.0018292200000000, -0.0035919900000000 ]  - [  -0.0008465500000000, -0.0010491700000000, -0.0026677600000000 ]  - [   0.0098103300000000, -0.0005067800000000, -0.0099686200000000 ]- atom:   31  displacement:    [   0.0000000000000000,  0.0000000000000000, -0.0100000000000000 ]  forces:  - [   0.0000949500000000, -0.0000632200000000,  0.0027380500000000 ]  - [  -0.0530045000000000,  0.0040090400000000, -0.0649240400000000 ]  - [   0.0011051600000000,  0.0004391000000000, -0.0007273400000000 ]  - [  -0.0010001400000000, -0.0026542500000000,  0.0026813900000000 ]  - [  -0.0006955400000000,  0.0051650300000000,  0.0021703900000000 ]  - [   0.0009277000000000, -0.0001603400000000,  0.0026413400000000 ]  - [  -0.0008843100000000, -0.0002436900000000,  0.0011790700000000 ]  - [   0.0000388100000000, -0.0000384600000000,  0.0017195800000000 ]  - [   0.0000902600000000,  0.0022434400000000, -0.0038210900000000 ]  - [  -0.0003929900000000, -0.0004653700000000,  0.0018540300000000 ]  - [   0.0001712000000000,  0.0002993200000000,  0.0020244100000000 ]  - [  -0.0001574000000000, -0.0001014300000000,  0.0017276300000000 ]  - [   0.0000462900000000, -0.0002655500000000,  0.0019950700000000 ]  - [   0.0006628200000000,  0.0005641200000000,  0.0012611000000000 ]  - [   0.0000213200000000,  0.0003984700000000,  0.0019137000000000 ]  - [  -0.0006278800000000, -0.0005561000000000,  0.0018131100000000 ]  - [   0.0007595100000000, -0.0007868200000000,  0.0015220900000000 ]  - [   0.0000127300000000, -0.0000051400000000,  0.0024023100000000 ]  - [  -0.0069260100000000,  0.0088009100000000,  0.0010062100000000 ]  - [  -0.0024851200000000, -0.0083056300000000, -0.0021653100000000 ]  - [  -0.0007010100000000, -0.0001259300000000, -0.0051630400000000 ]  - [   0.0004987400000000, -0.0015105700000000, -0.0022024300000000 ]  - [   0.0093111700000000,  0.0027744800000000, -0.0275984600000000 ]  - [   0.0006611200000000,  0.0006967800000000, -0.0034089500000000 ]  - [  -0.0004598300000000,  0.0002439800000000, -0.0001812900000000 ]  - [   0.0002789900000000,  0.0003102000000000, -0.0004267700000000 ]  - [  -0.0001952900000000,  0.0002140000000000, -0.0004762600000000 ]  - [  -0.0004648500000000,  0.0005533400000000, -0.0000193800000000 ]  - [   0.0007305800000000,  0.0029980700000000, -0.0017147900000000 ]  - [  -0.0007454200000000, -0.0003059400000000, -0.0004288500000000 ]  - [   0.0560220000000000, -0.0072378600000000,  0.1016473200000000 ]  - [   0.0021224100000000, -0.0035275400000000,  0.0025791600000000 ]  - [   0.0016395700000000,  0.0022782900000000,  0.0025849800000000 ]  - [  -0.0000854500000000,  0.0000645100000000, -0.0008312000000000 ]  - [   0.0000467300000000, -0.0000911400000000, -0.0009542200000000 ]  - [   0.0001365400000000,  0.0000408000000000, -0.0009527600000000 ]  - [  -0.0012779400000000,  0.0000024000000000, -0.0057364200000000 ]  - [   0.0007404600000000, -0.0000273600000000, -0.0000740600000000 ]  - [   0.0018324900000000,  0.0000417200000000, -0.0013185300000000 ]  - [   0.0001439300000000,  0.0000133400000000, -0.0003156100000000 ]  - [  -0.0004986900000000, -0.0002549400000000, -0.0019287300000000 ]  - [   0.0008482500000000, -0.0005911700000000, -0.0018252000000000 ]  - [  -0.0002161600000000, -0.0002424500000000, -0.0006532400000000 ]  - [   0.0000887200000000,  0.0001734000000000, -0.0007731100000000 ]  - [  -0.0000853300000000,  0.0002033200000000, -0.0008514500000000 ]  - [   0.0001598900000000, -0.0001876500000000, -0.0007539200000000 ]  - [   0.0001093300000000,  0.0003121000000000, -0.0008180000000000 ]  - [  -0.0002671700000000, -0.0000263900000000, -0.0007943400000000 ]  - [  -0.0002828300000000,  0.0000484200000000, -0.0008264900000000 ]  - [   0.0002305100000000, -0.0002491900000000, -0.0008020500000000 ]  - [  -0.0006457200000000, -0.0005310800000000, -0.0008463400000000 ]  - [   0.0019036900000000, -0.0000361000000000,  0.0007575800000000 ]  - [   0.0000915800000000, -0.0007138100000000,  0.0007171100000000 ]  - [  -0.0003157500000000, -0.0022444100000000,  0.0007146800000000 ]  - [  -0.0003510600000000, -0.0000376000000000, -0.0010386100000000 ]  - [   0.0001459200000000, -0.0003027500000000, -0.0011883300000000 ]  - [   0.0001790800000000,  0.0002678200000000, -0.0012298500000000 ]  - [   0.0000497100000000,  0.0004407000000000, -0.0010503100000000 ]  - [  -0.0003883700000000, -0.0002262400000000, -0.0007557000000000 ]  - [   0.0003961600000000, -0.0003117300000000, -0.0010989700000000 ]  - [  -0.0000984100000000,  0.0000249400000000,  0.0011519300000000 ]  - [   0.0015627500000000, -0.0029165900000000,  0.0039371100000000 ]  - [  -0.0004459200000000, -0.0005155100000000,  0.0007895600000000 ]  - [  -0.0023763200000000, -0.0072687100000000, -0.0087763700000000 ]  - [  -0.0041991700000000,  0.0137061200000000, -0.0094675100000000 ]  - [  -0.0058999100000000, -0.0002662700000000, -0.0018865300000000 ]  - [  -0.0000589400000000,  0.0002000300000000, -0.0008251100000000 ]  - [   0.0002581400000000,  0.0000477800000000, -0.0008422900000000 ]  - [  -0.0001664800000000, -0.0000673500000000, -0.0008007100000000 ]  - [  -0.0009372300000000,  0.0005343600000000, -0.0004730700000000 ]  - [   0.0006549600000000, -0.0020545200000000, -0.0002747200000000 ]  - [  -0.0013215800000000, -0.0004289100000000, -0.0002795100000000 ]  - [  -0.0003784800000000,  0.0016922000000000,  0.0016440400000000 ]  - [   0.0129432300000000, -0.0039182500000000, -0.0011934700000000 ]  - [  -0.0011731700000000,  0.0002947700000000,  0.0017454000000000 ]  - [   0.0017984000000000, -0.0013458800000000,  0.0037004200000000 ]  - [   0.0003002100000000,  0.0011081700000000,  0.0027767900000000 ]  - [  -0.0096056400000000,  0.0000044100000000,  0.0100992300000000 ]- atom:   37  displacement:    [   0.0100000000000000, -0.0000000001284888,  0.0000000000000000 ]  forces:  - [   0.0001117700000000, -0.0000138600000000, -0.0003717400000000 ]  - [  -0.0000719300000000, -0.0005469800000000, -0.0009303800000000 ]  - [  -0.0042905400000000,  0.0007108800000000,  0.0004013800000000 ]  - [   0.0045438100000000, -0.0016917400000000,  0.0023313500000000 ]  - [   0.0195370500000000, -0.0082592300000000,  0.0105861800000000 ]  - [   0.0220541600000000,  0.0031501700000000, -0.0012467700000000 ]  - [  -0.0072882900000000,  0.0002208600000000,  0.0017359700000000 ]  - [  -0.0004643700000000, -0.0008339900000000,  0.0009188600000000 ]  - [  -0.0000876900000000, -0.0004470400000000, -0.0003058700000000 ]  - [  -0.0056045600000000, -0.0102220200000000,  0.0039208500000000 ]  - [   0.0007500800000000, -0.0006431900000000, -0.0001496200000000 ]  - [  -0.0010528600000000,  0.0000765500000000, -0.0009962800000000 ]  - [   0.0000321700000000,  0.0002253300000000,  0.0004001900000000 ]  - [  -0.0001033200000000, -0.0000820300000000, -0.0003397500000000 ]  - [  -0.0001197800000000, -0.0000103100000000, -0.0003604000000000 ]  - [   0.0002794200000000, -0.0001447000000000, -0.0005029100000000 ]  - [  -0.0047297100000000,  0.0116902700000000,  0.0070550400000000 ]  - [   0.0000000900000000,  0.0003613100000000, -0.0005001500000000 ]  - [   0.0003453800000000,  0.0002150800000000, -0.0002449100000000 ]  - [   0.0002923200000000, -0.0001113200000000, -0.0007012100000000 ]  - [  -0.0005592700000000,  0.0002140900000000,  0.0001150200000000 ]  - [   0.0002425900000000,  0.0007562400000000, -0.0004024900000000 ]  - [   0.0008798200000000, -0.0004511600000000,  0.0026324100000000 ]  - [  -0.0010966700000000,  0.0006884200000000, -0.0008426900000000 ]  - [   0.0044860300000000, -0.0073193800000000,  0.0063889900000000 ]  - [   0.0009118100000000, -0.0019699400000000, -0.0003322000000000 ]  - [   0.0002613100000000, -0.0009383900000000, -0.0008800300000000 ]  - [   0.0051650000000000,  0.0009328800000000, -0.0010889000000000 ]  - [   0.0006909800000000,  0.0024297600000000, -0.0017361000000000 ]  - [  -0.0062210600000000,  0.0053774200000000, -0.0043521300000000 ]  - [  -0.0008361200000000,  0.0004428100000000,  0.0011370900000000 ]  - [   0.0006083600000000,  0.0003744500000000,  0.0008064900000000 ]  - [   0.0001295400000000, -0.0000816200000000,  0.0002433300000000 ]  - [   0.0003830900000000,  0.0000746400000000,  0.0000067600000000 ]  - [  -0.0001328800000000, -0.0002868800000000,  0.0000595500000000 ]  - [  -0.0000823000000000,  0.0001562400000000,  0.0001212100000000 ]  - [  -0.0493572400000000,  0.0208337300000000, -0.0169647600000000 ]  - [   0.0024273700000000,  0.0004365000000000, -0.0002686400000000 ]  - [   0.0008908700000000,  0.0004504100000000, -0.0010650300000000 ]  - [   0.0010948400000000,  0.0002578200000000,  0.0000579800000000 ]  - [  -0.0035349600000000,  0.0046271300000000, -0.0050313600000000 ]  - [   0.0058960500000000, -0.0100285800000000, -0.0064038400000000 ]  - [  -0.0000948700000000,  0.0000028200000000,  0.0002473300000000 ]  - [   0.0000560800000000, -0.0000694300000000,  0.0002169700000000 ]  - [  -0.0001261100000000,  0.0000766900000000,  0.0001624100000000 ]  - [  -0.0001348000000000,  0.0001914400000000, -0.0000027500000000 ]  - [  -0.0000196500000000, -0.0001279500000000,  0.0002571200000000 ]  - [  -0.0001778700000000, -0.0002271000000000,  0.0000073000000000 ]  - [   0.0029322800000000,  0.0004348700000000,  0.0002321400000000 ]  - [   0.0002698100000000,  0.0013349700000000, -0.0004805200000000 ]  - [   0.0049863200000000,  0.0066687000000000,  0.0097450600000000 ]  - [  -0.0002403200000000,  0.0001692600000000,  0.0000986000000000 ]  - [  -0.0000207000000000,  0.0000222800000000,  0.0000762200000000 ]  - [  -0.0000259200000000, -0.0001088900000000,  0.0001500100000000 ]  - [  -0.0000961500000000, -0.0001336100000000, -0.0000675900000000 ]  - [   0.0003604600000000,  0.0000472200000000,  0.0000374200000000 ]  - [  -0.0002649200000000,  0.0002508800000000,  0.0003944400000000 ]  - [   0.0001509700000000,  0.0002680200000000,  0.0001966000000000 ]  - [  -0.0001388200000000,  0.0001699200000000,  0.0004524200000000 ]  - [   0.0000886000000000, -0.0003003800000000,  0.0000901000000000 ]  - [  -0.0001018900000000,  0.0001279900000000,  0.0002649700000000 ]  - [  -0.0000049300000000,  0.0004248000000000, -0.0000885200000000 ]  - [   0.0003891300000000,  0.0001785300000000,  0.0003031100000000 ]  - [  -0.0000433800000000,  0.0002061500000000,  0.0001146200000000 ]  - [  -0.0001168700000000,  0.0000751800000000,  0.0000559400000000 ]  - [   0.0004259100000000,  0.0000123600000000,  0.0001675900000000 ]  - [   0.0000886100000000, -0.0001347000000000,  0.0002022100000000 ]  - [   0.0000490400000000, -0.0000425500000000,  0.0001721300000000 ]  - [  -0.0000387900000000, -0.0000348700000000,  0.0001865400000000 ]  - [  -0.0000134100000000, -0.0045387900000000, -0.0016564300000000 ]  - [   0.0043650800000000, -0.0117471000000000, -0.0046499900000000 ]  - [   0.0007403700000000, -0.0024382500000000, -0.0006606200000000 ]  - [  -0.0000958800000000, -0.0005736800000000,  0.0002686900000000 ]  - [  -0.0000485900000000, -0.0001292900000000, -0.0007547000000000 ]  - [  -0.0000458100000000,  0.0001900000000000,  0.0002435600000000 ]  - [   0.0000657500000000, -0.0002546700000000,  0.0003963200000000 ]  - [  -0.0002782200000000, -0.0003442100000000,  0.0011091300000000 ]  - [   0.0007791400000000, -0.0002672600000000, -0.0003883200000000 ]- atom:   37  displacement:    [  -0.0100000000000000,  0.0000000001284888,  0.0000000000000000 ]  forces:  - [  -0.0001233000000000,  0.0000220300000000,  0.0001917200000000 ]  - [   0.0000741900000000,  0.0005459700000000,  0.0011207000000000 ]  - [   0.0042688900000000, -0.0009205400000000, -0.0002260600000000 ]  - [  -0.0043511900000000,  0.0017671900000000, -0.0022104700000000 ]  - [  -0.0197636600000000,  0.0086825000000000, -0.0106025300000000 ]  - [  -0.0221916100000000, -0.0028848300000000,  0.0005365300000000 ]  - [   0.0070978700000000, -0.0003286500000000, -0.0019202800000000 ]  - [   0.0006315800000000,  0.0007404200000000, -0.0011062700000000 ]  - [   0.0000919300000000,  0.0004477500000000,  0.0001245600000000 ]  - [   0.0056335500000000,  0.0101966600000000, -0.0037511600000000 ]  - [  -0.0007484100000000,  0.0004300000000000,  0.0003169000000000 ]  - [   0.0012494300000000,  0.0000253600000000,  0.0011666000000000 ]  - [  -0.0002110100000000, -0.0001298600000000, -0.0002223300000000 ]  - [   0.0001251900000000,  0.0003061400000000,  0.0001672600000000 ]  - [  -0.0000831900000000, -0.0000837200000000,  0.0001888500000000 ]  - [  -0.0000978200000000,  0.0000204300000000,  0.0003334500000000 ]  - [   0.0047197500000000, -0.0116876700000000, -0.0072641000000000 ]  - [   0.0000039100000000, -0.0003643800000000,  0.0006963700000000 ]  - [  -0.0003508600000000, -0.0004417400000000,  0.0004232300000000 ]  - [  -0.0000981800000000,  0.0002177900000000,  0.0008796600000000 ]  - [   0.0003707200000000, -0.0001023800000000,  0.0000631700000000 ]  - [  -0.0002399400000000, -0.0005291100000000,  0.0002315200000000 ]  - [  -0.0010802700000000,  0.0003415100000000, -0.0028033700000000 ]  - [   0.0012883000000000, -0.0008016600000000,  0.0006736600000000 ]  - [  -0.0045555100000000,  0.0071358300000000, -0.0060547600000000 ]  - [  -0.0007500300000000,  0.0019335100000000,  0.0005604600000000 ]  - [  -0.0003010200000000,  0.0011004000000000,  0.0011119100000000 ]  - [  -0.0049819700000000, -0.0007832400000000,  0.0008526000000000 ]  - [  -0.0008670100000000, -0.0023977500000000,  0.0015127400000000 ]  - [   0.0062991500000000, -0.0055391500000000,  0.0041322900000000 ]  - [   0.0008422200000000, -0.0005767000000000, -0.0011192400000000 ]  - [  -0.0004920800000000, -0.0003021500000000, -0.0007703000000000 ]  - [  -0.0002485700000000,  0.0001419400000000, -0.0002131200000000 ]  - [  -0.0003817500000000,  0.0000511300000000, -0.0000324600000000 ]  - [   0.0000301700000000,  0.0002265700000000, -0.0000959600000000 ]  - [   0.0001981900000000, -0.0002276600000000, -0.0001522900000000 ]  - [   0.0489992700000000, -0.0217206200000000,  0.0173438900000000 ]  - [  -0.0018656800000000, -0.0004866100000000,  0.0001730600000000 ]  - [  -0.0011158900000000,  0.0000527400000000,  0.0009717600000000 ]  - [  -0.0007659400000000,  0.0001823800000000,  0.0000489800000000 ]  - [   0.0030164800000000, -0.0045996200000000,  0.0051446700000000 ]  - [  -0.0056407100000000,  0.0096409500000000,  0.0065861000000000 ]  - [  -0.0000245100000000, -0.0001346800000000, -0.0000172700000000 ]  - [   0.0001193200000000,  0.0000297000000000,  0.0000120600000000 ]  - [   0.0000750700000000,  0.0000933400000000,  0.0000670900000000 ]  - [   0.0002432000000000, -0.0000599400000000, -0.0002148900000000 ]  - [  -0.0001484000000000,  0.0001619900000000, -0.0004773100000000 ]  - [   0.0002258700000000,  0.0000685900000000, -0.0002312100000000 ]  - [  -0.0029305800000000, -0.0005615300000000, -0.0001960200000000 ]  - [  -0.0001596800000000, -0.0012743300000000,  0.0005089600000000 ]  - [  -0.0050823500000000, -0.0065466700000000, -0.0096025100000000 ]  - [   0.0002347100000000, -0.0000366500000000, -0.0001323400000000 ]  - [  -0.0000938000000000, -0.0000935300000000, -0.0001094100000000 ]  - [   0.0001451700000000,  0.0000474400000000, -0.0001832900000000 ]  - [  -0.0002340400000000, -0.0003091100000000, -0.0000310200000000 ]  - [   0.0001931000000000, -0.0001046200000000, -0.0001331600000000 ]  - [   0.0000368100000000,  0.0002560600000000, -0.0004959300000000 ]  - [   0.0001780500000000,  0.0001768000000000, -0.0000983600000000 ]  - [  -0.0004183100000000, -0.0001109900000000, -0.0003556300000000 ]  - [   0.0001363600000000, -0.0002083500000000,  0.0000041700000000 ]  - [   0.0000021800000000, -0.0002459100000000, -0.0000219300000000 ]  - [   0.0001533400000000, -0.0004546400000000,  0.0003343500000000 ]  - [  -0.0004386200000000, -0.0000343300000000, -0.0000609400000000 ]  - [   0.0001424700000000, -0.0000935000000000, -0.0003644200000000 ]  - [  -0.0000328500000000, -0.0000432100000000, -0.0003021900000000 ]  - [  -0.0003774400000000, -0.0001567600000000, -0.0004123600000000 ]  - [  -0.0000792200000000,  0.0000168900000000, -0.0001714500000000 ]  - [   0.0000483400000000,  0.0001101200000000, -0.0001417300000000 ]  - [  -0.0000684900000000,  0.0000861200000000, -0.0001579700000000 ]  - [  -0.0000015100000000,  0.0046417500000000,  0.0016214400000000 ]  - [  -0.0044786900000000,  0.0117094600000000,  0.0046148300000000 ]  - [  -0.0006266600000000,  0.0023888200000000,  0.0006333400000000 ]  - [  -0.0002340700000000,  0.0001293000000000, -0.0003626300000000 ]  - [   0.0006030200000000,  0.0000682800000000,  0.0006603400000000 ]  - [  -0.0001757200000000,  0.0003195500000000, -0.0003371900000000 ]  - [   0.0002642500000000,  0.0007008500000000, -0.0003067200000000 ]  - [  -0.0002747900000000,  0.0004055300000000, -0.0010246100000000 ]  - [  -0.0005567000000000, -0.0002429700000000,  0.0004779600000000 ]- atom:   37  displacement:    [  -0.0049999998822658,  0.0086602541058182,  0.0000000000000000 ]  forces:  - [  -0.0006122600000000,  0.0006500800000000,  0.0006969400000000 ]  - [  -0.0002016500000000,  0.0021180000000000,  0.0012965800000000 ]  - [   0.0029748800000000,  0.0019977100000000, -0.0008104700000000 ]  - [  -0.0102548200000000, -0.0139263800000000, -0.0068288700000000 ]  - [  -0.0133994900000000,  0.0180662500000000, -0.0136428400000000 ]  - [  -0.0084205800000000,  0.0275444000000000, -0.0092559700000000 ]  - [   0.0135705300000000, -0.0012073400000000, -0.0031063300000000 ]  - [  -0.0049597300000000, -0.0008824100000000,  0.0002792900000000 ]  - [  -0.0002769700000000, -0.0001590600000000,  0.0006458500000000 ]  - [  -0.0085634600000000,  0.0008566000000000, -0.0043717800000000 ]  - [  -0.0003502900000000,  0.0002788300000000, -0.0007888300000000 ]  - [   0.0010235600000000,  0.0007957300000000,  0.0006021300000000 ]  - [   0.0000731400000000, -0.0013766200000000,  0.0015350200000000 ]  - [   0.0001454300000000,  0.0002404700000000,  0.0004753700000000 ]  - [  -0.0004832600000000, -0.0001873200000000,  0.0004460800000000 ]  - [  -0.0000763500000000,  0.0001674700000000,  0.0005747800000000 ]  - [   0.0124286200000000, -0.0195636500000000, -0.0113336800000000 ]  - [   0.0004401100000000, -0.0006966600000000,  0.0010959100000000 ]  - [  -0.0003976800000000, -0.0002917400000000,  0.0003333500000000 ]  - [   0.0000111300000000,  0.0003824100000000,  0.0015101600000000 ]  - [   0.0004397100000000, -0.0001210900000000,  0.0002531400000000 ]  - [  -0.0014807800000000, -0.0020316900000000,  0.0007391800000000 ]  - [  -0.0004818300000000,  0.0019992500000000, -0.0026950400000000 ]  - [   0.0028044400000000, -0.0026587900000000,  0.0009021000000000 ]  - [  -0.0092342600000000,  0.0088490300000000, -0.0073695800000000 ]  - [  -0.0017515900000000,  0.0043594700000000,  0.0005016200000000 ]  - [   0.0016601900000000,  0.0023122300000000,  0.0027411500000000 ]  - [  -0.0013974900000000, -0.0004839900000000,  0.0004887000000000 ]  - [   0.0034147800000000,  0.0071853900000000, -0.0030318900000000 ]  - [   0.0114823800000000,  0.0066020200000000,  0.0039471900000000 ]  - [   0.0007400500000000, -0.0013485900000000, -0.0007464900000000 ]  - [  -0.0013580500000000, -0.0006332100000000, -0.0019367100000000 ]  - [   0.0005876100000000, -0.0000960100000000,  0.0002507000000000 ]  - [  -0.0000342200000000, -0.0002597000000000,  0.0001606800000000 ]  - [   0.0003955100000000, -0.0000817600000000, -0.0007577100000000 ]  - [   0.0004128900000000, -0.0008259900000000, -0.0003776300000000 ]  - [   0.0435138000000000, -0.0988341200000000,  0.0369153700000000 ]  - [  -0.0036969600000000, -0.0011686000000000,  0.0009127500000000 ]  - [   0.0028540000000000,  0.0002486200000000, -0.0004080600000000 ]  - [  -0.0002677600000000, -0.0011797300000000,  0.0005248300000000 ]  - [   0.0111929000000000,  0.0133468100000000, -0.0100201200000000 ]  - [  -0.0173686800000000,  0.0126060900000000,  0.0129453300000000 ]  - [  -0.0000303200000000, -0.0001268100000000, -0.0001276400000000 ]  - [   0.0002698000000000,  0.0000672000000000, -0.0001519300000000 ]  - [  -0.0000895200000000, -0.0000108400000000, -0.0000931700000000 ]  - [   0.0000452500000000,  0.0001968900000000, -0.0000353600000000 ]  - [  -0.0002743400000000,  0.0000182300000000, -0.0006019000000000 ]  - [  -0.0001041000000000,  0.0002278000000000, -0.0005847800000000 ]  - [  -0.0051363800000000,  0.0008138900000000, -0.0017556500000000 ]  - [   0.0010592200000000,  0.0016724300000000,  0.0010768200000000 ]  - [  -0.0009430200000000, -0.0059521000000000,  0.0029472600000000 ]  - [   0.0003647400000000,  0.0000270000000000, -0.0002648400000000 ]  - [  -0.0000117800000000, -0.0000988000000000, -0.0003016600000000 ]  - [   0.0002621300000000,  0.0002097200000000, -0.0002948800000000 ]  - [  -0.0005056600000000,  0.0001389500000000, -0.0002564200000000 ]  - [   0.0004885000000000,  0.0001664900000000, -0.0001429600000000 ]  - [  -0.0001602500000000, -0.0000068800000000, -0.0007321400000000 ]  - [   0.0002118700000000,  0.0001047100000000,  0.0000240500000000 ]  - [  -0.0004567400000000, -0.0000988300000000, -0.0003314000000000 ]  - [   0.0003110100000000, -0.0001487000000000, -0.0005627300000000 ]  - [   0.0003379600000000,  0.0000330200000000, -0.0000644300000000 ]  - [   0.0003433700000000, -0.0007867400000000, -0.0000683800000000 ]  - [  -0.0006272100000000,  0.0001254700000000, -0.0001503200000000 ]  - [   0.0001850200000000, -0.0002361000000000, -0.0004372700000000 ]  - [   0.0000055900000000, -0.0002206200000000, -0.0003572200000000 ]  - [  -0.0004898200000000, -0.0003282700000000, -0.0005514500000000 ]  - [   0.0000066100000000,  0.0000546800000000, -0.0002389500000000 ]  - [   0.0000310400000000,  0.0000040700000000, -0.0002780000000000 ]  - [  -0.0001368300000000,  0.0001620600000000, -0.0002899500000000 ]  - [  -0.0073117100000000,  0.0105663200000000,  0.0021524800000000 ]  - [  -0.0104795900000000,  0.0251466300000000,  0.0096975800000000 ]  - [  -0.0011920800000000,  0.0033529900000000,  0.0012089800000000 ]  - [  -0.0001249000000000,  0.0003582700000000, -0.0005635900000000 ]  - [   0.0004748400000000, -0.0000932800000000,  0.0005269700000000 ]  - [  -0.0003865800000000,  0.0005402100000000, -0.0003919200000000 ]  - [  -0.0001985900000000,  0.0009862200000000,  0.0002237500000000 ]  - [  -0.0002903400000000,  0.0007961600000000, -0.0019122000000000 ]  - [  -0.0005446900000000, -0.0002538200000000,  0.0003911100000000 ]- atom:   37  displacement:    [   0.0049999998822658, -0.0086602541058182,  0.0000000000000000 ]  forces:  - [   0.0005928400000000, -0.0006398000000000, -0.0008700400000000 ]  - [   0.0002080300000000, -0.0021154600000000, -0.0011029700000000 ]  - [  -0.0029862400000000, -0.0022289700000000,  0.0009795400000000 ]  - [   0.0105273200000000,  0.0139683800000000,  0.0069688000000000 ]  - [   0.0121563100000000, -0.0155087700000000,  0.0129942800000000 ]  - [   0.0084585700000000, -0.0272850700000000,  0.0092667400000000 ]  - [  -0.0136287600000000,  0.0011126800000000,  0.0029442400000000 ]  - [   0.0051280800000000,  0.0007691500000000, -0.0004566600000000 ]  - [   0.0002780900000000,  0.0001586600000000, -0.0008188000000000 ]  - [   0.0085666500000000, -0.0007431000000000,  0.0044492100000000 ]  - [   0.0003404400000000, -0.0004781600000000,  0.0009585800000000 ]  - [  -0.0008086700000000, -0.0006989300000000, -0.0004254100000000 ]  - [  -0.0002529700000000,  0.0014612700000000, -0.0013596000000000 ]  - [  -0.0001230500000000, -0.0000138000000000, -0.0006448800000000 ]  - [   0.0002798800000000,  0.0000928100000000, -0.0006134600000000 ]  - [   0.0002551700000000, -0.0002924100000000, -0.0007339000000000 ]  - [  -0.0124455400000000,  0.0195136100000000,  0.0111003600000000 ]  - [  -0.0004323100000000,  0.0006908000000000, -0.0008948200000000 ]  - [   0.0003921800000000,  0.0000650800000000, -0.0001506600000000 ]  - [   0.0001821300000000, -0.0002736700000000, -0.0013242600000000 ]  - [  -0.0006264000000000,  0.0002315600000000, -0.0000719000000000 ]  - [   0.0014778300000000,  0.0022447600000000, -0.0009016400000000 ]  - [   0.0002806900000000, -0.0020958600000000,  0.0025113100000000 ]  - [  -0.0026019100000000,  0.0025480600000000, -0.0010571100000000 ]  - [   0.0092103500000000, -0.0089787400000000,  0.0078140400000000 ]  - [   0.0018904600000000, -0.0043882800000000, -0.0002597000000000 ]  - [  -0.0016868300000000, -0.0021435000000000, -0.0024987200000000 ]  - [   0.0014924300000000,  0.0006135400000000, -0.0007086600000000 ]  - [  -0.0035640900000000, -0.0071264000000000,  0.0027950300000000 ]  - [  -0.0112900100000000, -0.0066784800000000, -0.0041409300000000 ]  - [  -0.0007308500000000,  0.0012006400000000,  0.0007663400000000 ]  - [   0.0014719800000000,  0.0006971200000000,  0.0019688900000000 ]  - [  -0.0007040300000000,  0.0001585200000000, -0.0002195700000000 ]  - [   0.0000330500000000,  0.0003831500000000, -0.0001843300000000 ]  - [  -0.0004929000000000,  0.0000297700000000,  0.0007172300000000 ]  - [  -0.0002922300000000,  0.0007484400000000,  0.0003429900000000 ]  - [  -0.0425353500000000,  0.0955964500000000, -0.0368122300000000 ]  - [   0.0042413900000000,  0.0011007000000000, -0.0010183800000000 ]  - [  -0.0030814700000000,  0.0002693800000000,  0.0003125900000000 ]  - [   0.0005941200000000,  0.0016202900000000, -0.0004257000000000 ]  - [  -0.0119085500000000, -0.0133157800000000,  0.0102585900000000 ]  - [   0.0172748800000000, -0.0128371200000000, -0.0125597300000000 ]  - [  -0.0000881300000000, -0.0000065600000000,  0.0003553000000000 ]  - [  -0.0000931900000000, -0.0001066400000000,  0.0003791600000000 ]  - [   0.0000403100000000,  0.0001810000000000,  0.0003219500000000 ]  - [   0.0000668700000000, -0.0000683400000000, -0.0001829900000000 ]  - [   0.0001052400000000,  0.0000179100000000,  0.0003817500000000 ]  - [   0.0001523800000000, -0.0003827000000000,  0.0003585900000000 ]  - [   0.0050706300000000, -0.0009394000000000,  0.0017702600000000 ]  - [  -0.0009503400000000, -0.0016223900000000, -0.0010309700000000 ]  - [   0.0007500700000000,  0.0058919600000000, -0.0029625800000000 ]  - [  -0.0003693800000000,  0.0001050700000000,  0.0002285100000000 ]  - [  -0.0001022100000000,  0.0000268900000000,  0.0002652400000000 ]  - [  -0.0001422400000000, -0.0002705300000000,  0.0002595700000000 ]  - [   0.0001743900000000, -0.0005812900000000,  0.0001590700000000 ]  - [   0.0000641800000000, -0.0002250600000000,  0.0000467000000000 ]  - [  -0.0000707300000000,  0.0005118200000000,  0.0006161900000000 ]  - [   0.0001172900000000,  0.0003382300000000,  0.0000720700000000 ]  - [  -0.0001034400000000,  0.0001558100000000,  0.0004240200000000 ]  - [  -0.0000860200000000, -0.0003584700000000,  0.0006551200000000 ]  - [  -0.0004362000000000, -0.0001504000000000,  0.0003035100000000 ]  - [  -0.0001916300000000,  0.0007554400000000,  0.0003104700000000 ]  - [   0.0005750100000000,  0.0000183300000000,  0.0003905400000000 ]  - [  -0.0000860600000000,  0.0003490300000000,  0.0001869300000000 ]  - [  -0.0001556200000000,  0.0002500600000000,  0.0001110200000000 ]  - [   0.0005359200000000,  0.0001832200000000,  0.0003043800000000 ]  - [   0.0000016600000000, -0.0001720400000000,  0.0002677400000000 ]  - [   0.0000657700000000,  0.0000648000000000,  0.0003056500000000 ]  - [   0.0000297200000000, -0.0001094400000000,  0.0003159500000000 ]  - [   0.0072999200000000, -0.0105848400000000, -0.0022402400000000 ]  - [   0.0103059400000000, -0.0250156300000000, -0.0097202100000000 ]  - [   0.0013102900000000, -0.0033624900000000, -0.0012345700000000 ]  - [  -0.0002049800000000, -0.0007996500000000,  0.0004661000000000 ]  - [   0.0000801100000000,  0.0000307500000000, -0.0006226300000000 ]  - [   0.0001647100000000, -0.0000306500000000,  0.0002943000000000 ]  - [   0.0005258900000000, -0.0005376700000000, -0.0001360300000000 ]  - [  -0.0002623600000000, -0.0007328600000000,  0.0019876000000000 ]  - [   0.0007655600000000, -0.0002557800000000, -0.0003021000000000 ]- atom:   37  displacement:    [   0.0000000000000000,  0.0000000000000000,  0.0100000000000000 ]  forces:  - [   0.0017257400000000, -0.0003363300000000, -0.0036268800000000 ]  - [  -0.0029820000000000, -0.0004096600000000, -0.0033993400000000 ]  - [  -0.0003185500000000,  0.0000137600000000,  0.0030928500000000 ]  - [  -0.0025962600000000, -0.0053902400000000,  0.0155350400000000 ]  - [  -0.0015234600000000,  0.0163265300000000,  0.0294444300000000 ]  - [   0.0135550700000000, -0.0267625800000000,  0.1652621400000000 ]  - [   0.0030589500000000,  0.0004255800000000,  0.0034373300000000 ]  - [   0.0030136000000000, -0.0010436500000000,  0.0026115200000000 ]  - [   0.0008527600000000,  0.0010002400000000, -0.0026369000000000 ]  - [  -0.0025641400000000, -0.0072726400000000,  0.0146670500000000 ]  - [  -0.0001311300000000, -0.0028320300000000, -0.0019130000000000 ]  - [  -0.0020891000000000,  0.0000927600000000, -0.0015687600000000 ]  - [  -0.0000521600000000,  0.0027235600000000, -0.0015819400000000 ]  - [  -0.0001550100000000, -0.0004859500000000, -0.0022176400000000 ]  - [   0.0005206200000000,  0.0001963100000000, -0.0023587100000000 ]  - [   0.0001351900000000,  0.0003732900000000, -0.0034791100000000 ]  - [  -0.0051396600000000,  0.0139405600000000,  0.0186148300000000 ]  - [  -0.0007908000000000,  0.0003615300000000, -0.0030042800000000 ]  - [  -0.0003329200000000, -0.0016671800000000, -0.0023928200000000 ]  - [   0.0004094900000000,  0.0002838900000000, -0.0023121400000000 ]  - [  -0.0001601200000000,  0.0003455800000000, -0.0026217700000000 ]  - [   0.0004295700000000,  0.0007666100000000, -0.0005097900000000 ]  - [   0.0039429900000000, -0.0008408500000000, -0.0058613700000000 ]  - [  -0.0014928500000000,  0.0008485700000000, -0.0012060500000000 ]  - [   0.0109139100000000, -0.0127548300000000, -0.0077822600000000 ]  - [   0.0005507700000000, -0.0001613300000000, -0.0022240100000000 ]  - [   0.0000083800000000, -0.0010986700000000, -0.0025478900000000 ]  - [   0.0002046700000000, -0.0002168800000000, -0.0028043000000000 ]  - [   0.0003519500000000,  0.0022867600000000, -0.0037437300000000 ]  - [  -0.0069607600000000, -0.0021357900000000, -0.0068528100000000 ]  - [   0.0028576900000000,  0.0005840500000000,  0.0057029300000000 ]  - [   0.0014388100000000,  0.0001871200000000,  0.0013048300000000 ]  - [   0.0005893100000000,  0.0003953100000000,  0.0000454500000000 ]  - [   0.0000113400000000,  0.0000457600000000,  0.0003430100000000 ]  - [  -0.0015624200000000, -0.0012312700000000,  0.0018661900000000 ]  - [  -0.0010932700000000,  0.0011643000000000,  0.0019587900000000 ]  - [  -0.0181192700000000,  0.0335581900000000, -0.2005418900000000 ]  - [   0.0016669600000000, -0.0004078800000000, -0.0037053500000000 ]  - [   0.0008517400000000, -0.0000456600000000, -0.0037165000000000 ]  - [   0.0001728500000000,  0.0007831700000000, -0.0022195100000000 ]  - [  -0.0065919400000000, -0.0111446400000000, -0.0020629000000000 ]  - [  -0.0100041700000000,  0.0114735500000000, -0.0020855800000000 ]  - [  -0.0004138100000000,  0.0003689100000000,  0.0011165000000000 ]  - [  -0.0003692400000000, -0.0003725300000000,  0.0011550700000000 ]  - [   0.0002056000000000,  0.0000228500000000,  0.0010614000000000 ]  - [  -0.0002389600000000,  0.0006316100000000,  0.0005631200000000 ]  - [   0.0000660500000000, -0.0002964400000000,  0.0006796500000000 ]  - [   0.0003999300000000, -0.0007991300000000,  0.0010530800000000 ]  - [   0.0017950400000000,  0.0005064300000000, -0.0016655800000000 ]  - [  -0.0005113700000000,  0.0013749000000000, -0.0017715800000000 ]  - [   0.0086888800000000,  0.0109819500000000,  0.0011689300000000 ]  - [  -0.0000707700000000,  0.0000093800000000,  0.0010807100000000 ]  - [  -0.0002264200000000,  0.0000140300000000,  0.0011284900000000 ]  - [   0.0001707000000000,  0.0001896900000000,  0.0007876200000000 ]  - [   0.0001517900000000, -0.0006377600000000,  0.0009231600000000 ]  - [   0.0003323300000000,  0.0003375500000000,  0.0009227700000000 ]  - [   0.0004635000000000,  0.0007471900000000,  0.0028247900000000 ]  - [   0.0003109400000000,  0.0002833900000000,  0.0013316700000000 ]  - [   0.0002873900000000,  0.0004067100000000,  0.0014831000000000 ]  - [  -0.0002647700000000, -0.0005060600000000,  0.0014818600000000 ]  - [  -0.0001023900000000, -0.0001057400000000,  0.0004534800000000 ]  - [  -0.0008758100000000, -0.0010849400000000,  0.0013949500000000 ]  - [   0.0003174400000000,  0.0000832300000000,  0.0004752300000000 ]  - [   0.0000642200000000,  0.0009886500000000,  0.0012530200000000 ]  - [  -0.0002305900000000, -0.0008499000000000,  0.0010597000000000 ]  - [   0.0002300400000000, -0.0000871900000000,  0.0007338100000000 ]  - [   0.0000832100000000, -0.0001104500000000,  0.0010131400000000 ]  - [   0.0001482000000000, -0.0001048200000000,  0.0012061500000000 ]  - [  -0.0000283700000000, -0.0001476500000000,  0.0011625700000000 ]  - [   0.0013482100000000, -0.0003795900000000, -0.0036732900000000 ]  - [   0.0076763500000000, -0.0199455300000000, -0.0100903900000000 ]  - [  -0.0006181800000000, -0.0036517000000000, -0.0027559300000000 ]  - [  -0.0001834700000000, -0.0004789700000000,  0.0009312400000000 ]  - [   0.0005060900000000,  0.0006154000000000,  0.0028048600000000 ]  - [  -0.0002087300000000,  0.0002127600000000,  0.0009295700000000 ]  - [   0.0005165000000000,  0.0006316300000000,  0.0010143900000000 ]  - [  -0.0001934600000000, -0.0004235400000000,  0.0019326800000000 ]  - [  -0.0018284800000000, -0.0003632700000000,  0.0019209100000000 ]- atom:   37  displacement:    [   0.0000000000000000,  0.0000000000000000, -0.0100000000000000 ]  forces:  - [  -0.0017215500000000,  0.0003261800000000,  0.0034314600000000 ]  - [   0.0029877100000000,  0.0003889500000000,  0.0035522700000000 ]  - [   0.0002863400000000, -0.0002694100000000, -0.0029173200000000 ]  - [   0.0027375600000000,  0.0053438900000000, -0.0153198100000000 ]  - [   0.0011357600000000, -0.0157651300000000, -0.0294133600000000 ]  - [  -0.0118648400000000,  0.0247269300000000, -0.1557485900000000 ]  - [  -0.0033630000000000, -0.0005000800000000, -0.0035772500000000 ]  - [  -0.0028302200000000,  0.0009176600000000, -0.0027571100000000 ]  - [  -0.0008511900000000, -0.0010106200000000,  0.0024379400000000 ]  - [   0.0026207900000000,  0.0072340800000000, -0.0143022800000000 ]  - [   0.0001457300000000,  0.0026050900000000,  0.0020889800000000 ]  - [   0.0022496000000000,  0.0000023300000000,  0.0017319500000000 ]  - [  -0.0001142100000000, -0.0025964300000000,  0.0017527800000000 ]  - [   0.0001748400000000,  0.0007071000000000,  0.0020342700000000 ]  - [  -0.0007178200000000, -0.0002862000000000,  0.0021767500000000 ]  - [   0.0000523700000000, -0.0004999400000000,  0.0032886400000000 ]  - [   0.0051176000000000, -0.0137938100000000, -0.0186340700000000 ]  - [   0.0007780900000000, -0.0003522200000000,  0.0031798500000000 ]  - [   0.0003307200000000,  0.0014512200000000,  0.0025575700000000 ]  - [  -0.0002105800000000, -0.0001821200000000,  0.0024657700000000 ]  - [  -0.0000374700000000, -0.0002286900000000,  0.0027940000000000 ]  - [  -0.0004243500000000, -0.0005245500000000,  0.0003219100000000 ]  - [  -0.0041336100000000,  0.0007339600000000,  0.0057081400000000 ]  - [   0.0016655500000000, -0.0009456600000000,  0.0010137100000000 ]  - [  -0.0108473000000000,  0.0124333500000000,  0.0079117900000000 ]  - [  -0.0003873500000000,  0.0000946800000000,  0.0024469500000000 ]  - [  -0.0000202800000000,  0.0012331700000000,  0.0027702000000000 ]  - [  -0.0001146100000000,  0.0003380200000000,  0.0025551500000000 ]  - [  -0.0005210200000000, -0.0022483900000000,  0.0034803800000000 ]  - [   0.0069195100000000,  0.0018613100000000,  0.0065978900000000 ]  - [  -0.0029158300000000, -0.0007239700000000, -0.0057760300000000 ]  - [  -0.0013056400000000, -0.0001124900000000, -0.0012453700000000 ]  - [  -0.0007094100000000, -0.0003320900000000, -0.0000064200000000 ]  - [  -0.0000029800000000,  0.0000831100000000, -0.0003715500000000 ]  - [   0.0014349300000000,  0.0011653800000000, -0.0018849400000000 ]  - [   0.0011975300000000, -0.0012219400000000, -0.0019931200000000 ]  - [   0.0162329300000000, -0.0318050400000000,  0.1910444700000000 ]  - [  -0.0010939200000000,  0.0003527000000000,  0.0035922800000000 ]  - [  -0.0010784900000000,  0.0005564200000000,  0.0035821400000000 ]  - [   0.0001612500000000, -0.0003232300000000,  0.0023058500000000 ]  - [   0.0059239600000000,  0.0110783000000000,  0.0020987800000000 ]  - [   0.0102713500000000, -0.0119795600000000,  0.0020773900000000 ]  - [   0.0003008600000000, -0.0004982400000000, -0.0008809600000000 ]  - [   0.0005379200000000,  0.0003352600000000, -0.0009177700000000 ]  - [  -0.0002624800000000,  0.0001431100000000, -0.0008272200000000 ]  - [   0.0003426900000000, -0.0005023400000000, -0.0007828500000000 ]  - [  -0.0002275800000000,  0.0003248200000000, -0.0008971200000000 ]  - [  -0.0003442000000000,  0.0006311400000000, -0.0012636900000000 ]  - [  -0.0017348800000000, -0.0006334600000000,  0.0016926700000000 ]  - [   0.0006170500000000, -0.0012969000000000,  0.0017850700000000 ]  - [  -0.0086605100000000, -0.0107508800000000, -0.0010984100000000 ]  - [   0.0000651400000000,  0.0001256700000000, -0.0011100500000000 ]  - [   0.0001111500000000, -0.0000815500000000, -0.0011583500000000 ]  - [  -0.0000550300000000, -0.0002568400000000, -0.0008141300000000 ]  - [  -0.0004778600000000,  0.0001885000000000, -0.0010234800000000 ]  - [   0.0002216100000000, -0.0003935600000000, -0.0010205500000000 ]  - [  -0.0006844500000000, -0.0002266000000000, -0.0028981100000000 ]  - [   0.0000143200000000,  0.0001670700000000, -0.0012306800000000 ]  - [  -0.0008385200000000, -0.0003463200000000, -0.0013756200000000 ]  - [   0.0004889400000000, -0.0000050300000000, -0.0013769300000000 ]  - [   0.0000071800000000, -0.0000100000000000, -0.0002014900000000 ]  - [   0.0010265400000000,  0.0010746100000000, -0.0011510600000000 ]  - [  -0.0003621700000000,  0.0000561600000000, -0.0002233900000000 ]  - [   0.0000276100000000, -0.0008793200000000, -0.0015051200000000 ]  - [   0.0000819600000000,  0.0008826300000000, -0.0013048900000000 ]  - [  -0.0001685100000000, -0.0000487300000000, -0.0009720600000000 ]  - [  -0.0000770100000000, -0.0000085700000000, -0.0009773500000000 ]  - [  -0.0000470500000000,  0.0001678200000000, -0.0011679500000000 ]  - [  -0.0000766500000000,  0.0001982200000000, -0.0011256500000000 ]  - [  -0.0013948900000000,  0.0005358800000000,  0.0036217500000000 ]  - [  -0.0077317300000000,  0.0197729000000000,  0.0099792900000000 ]  - [   0.0007411700000000,  0.0036206500000000,  0.0026903800000000 ]  - [  -0.0001438900000000,  0.0000260700000000, -0.0010160100000000 ]  - [   0.0000423300000000, -0.0006767600000000, -0.0029185600000000 ]  - [  -0.0000166600000000,  0.0002954700000000, -0.0010143400000000 ]  - [  -0.0001895200000000, -0.0001937700000000, -0.0009126700000000 ]  - [  -0.0003606300000000,  0.0004765900000000, -0.0018211700000000 ]  - [   0.0020693100000000, -0.0001459600000000, -0.0018335800000000 ]