# Fileset

[phonopy_params.yaml.xz](https://mdr.nims.go.jp/filesets/eaf90e13-d000-464e-96ba-9771ec923989/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 SbSCl9 / R-3m (166) / materials id 28772](https://mdr.nims.go.jp/datasets/272f5ae1-ebd2-4328-a997-48d23cea6640)

## 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-3m"  number: 166  Hall_symbol: "-R 3 2\""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:  - [     5.374737300000005,     3.103106026666663,     6.081216046666660 ] # a  - [    -5.374737299999993,     3.103106026666663,     6.081216046666660 ] # b  - [     0.000000000000006,    -6.206212053333337,     6.081216046666660 ] # c  points:  - symbol: S  # 1    coordinates: [  0.299305230000000,  0.299305220000002,  0.299305230000000 ]    mass: 32.065000  - symbol: S  # 2    coordinates: [  0.700694780000000,  0.700694770000000,  0.700694780000000 ]    mass: 32.065000  - symbol: Cl # 3    coordinates: [  0.970511560000000,  0.970511560000000,  0.285664050000000 ]    mass: 35.453000  - symbol: Cl # 4    coordinates: [  0.029488430000000,  0.029488430000002,  0.714335950000000 ]    mass: 35.453000  - symbol: Cl # 5    coordinates: [  0.029488430000000,  0.714335950000002,  0.029488430000000 ]    mass: 35.453000  - symbol: Cl # 6    coordinates: [  0.285664050000000,  0.970511560000000,  0.970511560000000 ]    mass: 35.453000  - symbol: Cl # 7    coordinates: [  0.970511560000000,  0.285664050000000,  0.970511560000000 ]    mass: 35.453000  - symbol: Cl # 8    coordinates: [  0.714335950000000,  0.029488430000002,  0.029488430000000 ]    mass: 35.453000  - symbol: Cl # 9    coordinates: [  0.634867830000000,  0.318840220000002,  0.318840220000000 ]    mass: 35.453000  - symbol: Cl # 10    coordinates: [  0.681159780000000,  0.365132180000003,  0.681159780000000 ]    mass: 35.453000  - symbol: Cl # 11    coordinates: [  0.365132170000000,  0.681159790000003,  0.681159780000000 ]    mass: 35.453000  - symbol: Cl # 12    coordinates: [  0.318840220000000,  0.634867830000002,  0.318840220000000 ]    mass: 35.453000  - symbol: Cl # 13    coordinates: [  0.681159780000000,  0.681159790000003,  0.365132170000000 ]    mass: 35.453000  - symbol: Cl # 14    coordinates: [  0.318840220000000,  0.318840220000002,  0.634867830000000 ]    mass: 35.453000  - symbol: Cl # 15    coordinates: [  0.941727580000000,  0.652016050000000,  0.652016040000000 ]    mass: 35.453000  - symbol: Cl # 16    coordinates: [  0.347983970000000,  0.058272400000002,  0.347983970000000 ]    mass: 35.453000  - symbol: Cl # 17    coordinates: [  0.058272420000000,  0.347983950000002,  0.347983970000000 ]    mass: 35.453000  - symbol: Cl # 18    coordinates: [  0.652016040000000,  0.941727590000000,  0.652016040000000 ]    mass: 35.453000  - symbol: Cl # 19    coordinates: [  0.652016040000000,  0.652016050000000,  0.941727580000000 ]    mass: 35.453000  - symbol: Cl # 20    coordinates: [  0.347983970000000,  0.347983950000002,  0.058272420000000 ]    mass: 35.453000  - symbol: Sb # 21    coordinates: [  0.500000000000000,  0.499999990000002,  0.500000000000000 ]    mass: 121.760000  - symbol: Sb # 22    coordinates: [  0.000000000000000,  0.000000010000002,  0.000000000000000 ]    mass: 121.760000  reciprocal_lattice: # without 2pi  - [     0.093027802493714,     0.053709626817263,     0.054813598263138 ] # a*  - [    -0.093027802493714,     0.053709626817263,     0.054813598263138 ] # b*  - [     0.000000000000000,    -0.107419253634526,     0.054813598263138 ] # c*unit_cell:  lattice:  - [    10.749474599999999,     0.000000000000000,     0.000000000000000 ] # a  - [    -5.374737300000000,     9.309318080000001,     0.000000000000000 ] # b  - [     0.000000000000000,     0.000000000000000,    18.243648140000001 ] # c  points:  - symbol: S  # 1    coordinates: [  0.666666670000000,  0.333333330000000,  0.632638560000000 ]    mass: 32.065000    reduced_to: 1  - symbol: S  # 2    coordinates: [  0.666666670000000,  0.333333330000000,  0.034028110000000 ]    mass: 32.065000    reduced_to: 2  - symbol: S  # 3    coordinates: [  0.333333330000000,  0.666666670000000,  0.965971890000000 ]    mass: 32.065000    reduced_to: 1  - symbol: S  # 4    coordinates: [  0.333333330000000,  0.666666670000000,  0.367361440000000 ]    mass: 32.065000    reduced_to: 2  - symbol: S  # 5    coordinates: [  0.000000000000000,  0.000000000000000,  0.299305220000000 ]    mass: 32.065000    reduced_to: 1  - symbol: S  # 6    coordinates: [  0.000000000000000,  0.000000000000000,  0.700694780000000 ]    mass: 32.065000    reduced_to: 2  - symbol: Cl # 7    coordinates: [  0.894949170000000,  0.789898340000000,  0.075562390000000 ]    mass: 35.453000    reduced_to: 7  - symbol: Cl # 8    coordinates: [  0.438384160000000,  0.876768320000000,  0.591104270000000 ]    mass: 35.453000    reduced_to: 8  - symbol: Cl # 9    coordinates: [  0.438384160000000,  0.561615840000000,  0.591104270000000 ]    mass: 35.453000    reduced_to: 9  - symbol: Cl # 10    coordinates: [  0.210101660000000,  0.105050830000000,  0.075562390000000 ]    mass: 35.453000    reduced_to: 10  - symbol: Cl # 11    coordinates: [  0.894949170000000,  0.105050830000000,  0.075562390000000 ]    mass: 35.453000    reduced_to: 11  - symbol: Cl # 12    coordinates: [  0.123231680000000,  0.561615840000000,  0.591104270000000 ]    mass: 35.453000    reduced_to: 12  - symbol: Cl # 13    coordinates: [  0.877351740000000,  0.438675870000000,  0.757516090000000 ]    mass: 35.453000    reduced_to: 13  - symbol: Cl # 14    coordinates: [  0.772009200000000,  0.227990800000000,  0.909150580000000 ]    mass: 35.453000    reduced_to: 14  - symbol: Cl # 15    coordinates: [  0.455981590000000,  0.227990800000000,  0.909150580000000 ]    mass: 35.453000    reduced_to: 15  - symbol: Cl # 16    coordinates: [  0.561324130000000,  0.438675870000000,  0.757516090000000 ]    mass: 35.453000    reduced_to: 16  - symbol: Cl # 17    coordinates: [  0.772009200000000,  0.544018410000000,  0.909150580000000 ]    mass: 35.453000    reduced_to: 17  - symbol: Cl # 18    coordinates: [  0.561324130000000,  0.122648260000000,  0.757516090000000 ]    mass: 35.453000    reduced_to: 18  - symbol: Cl # 19    coordinates: [  0.859807690000000,  0.429903850000000,  0.081919890000000 ]    mass: 35.453000    reduced_to: 19  - symbol: Cl # 20    coordinates: [  0.763237190000000,  0.236762810000000,  0.584746780000000 ]    mass: 35.453000    reduced_to: 20  - symbol: Cl # 21    coordinates: [  0.473525640000000,  0.236762810000000,  0.584746780000000 ]    mass: 35.453000    reduced_to: 21  - symbol: Cl # 22    coordinates: [  0.570096150000000,  0.429903850000000,  0.081919890000000 ]    mass: 35.453000    reduced_to: 22  - symbol: Cl # 23    coordinates: [  0.570096150000000,  0.140192310000000,  0.081919890000000 ]    mass: 35.453000    reduced_to: 23  - symbol: Cl # 24    coordinates: [  0.763237190000000,  0.526474360000000,  0.584746780000000 ]    mass: 35.453000    reduced_to: 24  - symbol: Cl # 25    coordinates: [  0.561615840000000,  0.123231680000000,  0.408895730000000 ]    mass: 35.453000    reduced_to: 7  - symbol: Cl # 26    coordinates: [  0.105050830000000,  0.210101660000000,  0.924437610000000 ]    mass: 35.453000    reduced_to: 8  - symbol: Cl # 27    coordinates: [  0.105050830000000,  0.894949170000000,  0.924437610000000 ]    mass: 35.453000    reduced_to: 9  - symbol: Cl # 28    coordinates: [  0.876768320000000,  0.438384160000000,  0.408895730000000 ]    mass: 35.453000    reduced_to: 10  - symbol: Cl # 29    coordinates: [  0.561615840000000,  0.438384160000000,  0.408895730000000 ]    mass: 35.453000    reduced_to: 11  - symbol: Cl # 30    coordinates: [  0.789898340000000,  0.894949170000000,  0.924437610000000 ]    mass: 35.453000    reduced_to: 12  - symbol: Cl # 31    coordinates: [  0.544018410000000,  0.772009200000000,  0.090849420000000 ]    mass: 35.453000    reduced_to: 13  - symbol: Cl # 32    coordinates: [  0.438675870000000,  0.561324130000000,  0.242483910000000 ]    mass: 35.453000    reduced_to: 14  - symbol: Cl # 33    coordinates: [  0.122648260000000,  0.561324130000000,  0.242483910000000 ]    mass: 35.453000    reduced_to: 15  - symbol: Cl # 34    coordinates: [  0.227990800000000,  0.772009200000000,  0.090849420000000 ]    mass: 35.453000    reduced_to: 16  - symbol: Cl # 35    coordinates: [  0.438675870000000,  0.877351740000000,  0.242483910000000 ]    mass: 35.453000    reduced_to: 17  - symbol: Cl # 36    coordinates: [  0.227990800000000,  0.455981590000000,  0.090849420000000 ]    mass: 35.453000    reduced_to: 18  - symbol: Cl # 37    coordinates: [  0.526474360000000,  0.763237190000000,  0.415253220000000 ]    mass: 35.453000    reduced_to: 19  - symbol: Cl # 38    coordinates: [  0.429903850000000,  0.570096150000000,  0.918080110000000 ]    mass: 35.453000    reduced_to: 20  - symbol: Cl # 39    coordinates: [  0.140192310000000,  0.570096150000000,  0.918080110000000 ]    mass: 35.453000    reduced_to: 21  - symbol: Cl # 40    coordinates: [  0.236762810000000,  0.763237190000000,  0.415253220000000 ]    mass: 35.453000    reduced_to: 22  - symbol: Cl # 41    coordinates: [  0.236762810000000,  0.473525640000000,  0.415253220000000 ]    mass: 35.453000    reduced_to: 23  - symbol: Cl # 42    coordinates: [  0.429903850000000,  0.859807690000000,  0.918080110000000 ]    mass: 35.453000    reduced_to: 24  - symbol: Cl # 43    coordinates: [  0.228282510000000,  0.456565010000000,  0.742229060000000 ]    mass: 35.453000    reduced_to: 7  - symbol: Cl # 44    coordinates: [  0.771717490000000,  0.543434990000000,  0.257770940000000 ]    mass: 35.453000    reduced_to: 8  - symbol: Cl # 45    coordinates: [  0.771717490000000,  0.228282510000000,  0.257770940000000 ]    mass: 35.453000    reduced_to: 9  - symbol: Cl # 46    coordinates: [  0.543434990000000,  0.771717490000000,  0.742229060000000 ]    mass: 35.453000    reduced_to: 10  - symbol: Cl # 47    coordinates: [  0.228282510000000,  0.771717490000000,  0.742229060000000 ]    mass: 35.453000    reduced_to: 11  - symbol: Cl # 48    coordinates: [  0.456565010000000,  0.228282510000000,  0.257770940000000 ]    mass: 35.453000    reduced_to: 12  - symbol: Cl # 49    coordinates: [  0.210685080000000,  0.105342530000000,  0.424182760000000 ]    mass: 35.453000    reduced_to: 13  - symbol: Cl # 50    coordinates: [  0.105342530000000,  0.894657470000000,  0.575817240000000 ]    mass: 35.453000    reduced_to: 14  - symbol: Cl # 51    coordinates: [  0.789314920000000,  0.894657470000000,  0.575817240000000 ]    mass: 35.453000    reduced_to: 15  - symbol: Cl # 52    coordinates: [  0.894657470000000,  0.105342530000000,  0.424182760000000 ]    mass: 35.453000    reduced_to: 16  - symbol: Cl # 53    coordinates: [  0.105342530000000,  0.210685080000000,  0.575817240000000 ]    mass: 35.453000    reduced_to: 17  - symbol: Cl # 54    coordinates: [  0.894657470000000,  0.789314920000000,  0.424182760000000 ]    mass: 35.453000    reduced_to: 18  - symbol: Cl # 55    coordinates: [  0.193141020000000,  0.096570520000000,  0.748586560000000 ]    mass: 35.453000    reduced_to: 19  - symbol: Cl # 56    coordinates: [  0.096570520000000,  0.903429480000000,  0.251413440000000 ]    mass: 35.453000    reduced_to: 20  - symbol: Cl # 57    coordinates: [  0.806858980000000,  0.903429480000000,  0.251413440000000 ]    mass: 35.453000    reduced_to: 21  - symbol: Cl # 58    coordinates: [  0.903429480000000,  0.096570520000000,  0.748586560000000 ]    mass: 35.453000    reduced_to: 22  - symbol: Cl # 59    coordinates: [  0.903429480000000,  0.806858980000000,  0.748586560000000 ]    mass: 35.453000    reduced_to: 23  - symbol: Cl # 60    coordinates: [  0.096570520000000,  0.193141020000000,  0.251413440000000 ]    mass: 35.453000    reduced_to: 24  - symbol: Sb # 61    coordinates: [  0.666666670000000,  0.333333330000000,  0.833333330000000 ]    mass: 121.760000    reduced_to: 61  - symbol: Sb # 62    coordinates: [  0.333333330000000,  0.666666670000000,  0.666666670000000 ]    mass: 121.760000    reduced_to: 62  - symbol: Sb # 63    coordinates: [  0.333333330000000,  0.666666670000000,  0.166666670000000 ]    mass: 121.760000    reduced_to: 61  - symbol: Sb # 64    coordinates: [  0.000000000000000,  0.000000000000000,  0.000000000000000 ]    mass: 121.760000    reduced_to: 62  - symbol: Sb # 65    coordinates: [  0.000000000000000,  0.000000000000000,  0.500000000000000 ]    mass: 121.760000    reduced_to: 61  - symbol: Sb # 66    coordinates: [  0.666666670000000,  0.333333330000000,  0.333333330000000 ]    mass: 121.760000    reduced_to: 62supercell:  lattice:  - [    10.749474599999999,     0.000000000000000,     0.000000000000000 ] # a  - [    -5.374737300000000,     9.309318080000001,     0.000000000000000 ] # b  - [     0.000000000000000,     0.000000000000000,    18.243648140000001 ] # c  points:  - symbol: S  # 1    coordinates: [  0.666666670000000,  0.333333330000000,  0.632638560000000 ]    mass: 32.065000    reduced_to: 1  - symbol: S  # 2    coordinates: [  0.666666670000000,  0.333333330000000,  0.034028110000000 ]    mass: 32.065000    reduced_to: 2  - symbol: S  # 3    coordinates: [  0.333333330000000,  0.666666670000000,  0.965971890000000 ]    mass: 32.065000    reduced_to: 1  - symbol: S  # 4    coordinates: [  0.333333330000000,  0.666666670000000,  0.367361440000000 ]    mass: 32.065000    reduced_to: 2  - symbol: S  # 5    coordinates: [  0.000000000000000,  0.000000000000000,  0.299305220000000 ]    mass: 32.065000    reduced_to: 1  - symbol: S  # 6    coordinates: [  0.000000000000000,  0.000000000000000,  0.700694780000000 ]    mass: 32.065000    reduced_to: 2  - symbol: Cl # 7    coordinates: [  0.894949170000000,  0.789898340000000,  0.075562390000000 ]    mass: 35.453000    reduced_to: 7  - symbol: Cl # 8    coordinates: [  0.438384160000000,  0.876768320000000,  0.591104270000000 ]    mass: 35.453000    reduced_to: 8  - symbol: Cl # 9    coordinates: [  0.438384160000000,  0.561615840000000,  0.591104270000000 ]    mass: 35.453000    reduced_to: 9  - symbol: Cl # 10    coordinates: [  0.210101660000000,  0.105050830000000,  0.075562390000000 ]    mass: 35.453000    reduced_to: 10  - symbol: Cl # 11    coordinates: [  0.894949170000000,  0.105050830000000,  0.075562390000000 ]    mass: 35.453000    reduced_to: 11  - symbol: Cl # 12    coordinates: [  0.123231680000000,  0.561615840000000,  0.591104270000000 ]    mass: 35.453000    reduced_to: 12  - symbol: Cl # 13    coordinates: [  0.877351740000000,  0.438675870000000,  0.757516090000000 ]    mass: 35.453000    reduced_to: 13  - symbol: Cl # 14    coordinates: [  0.772009200000000,  0.227990800000000,  0.909150580000000 ]    mass: 35.453000    reduced_to: 14  - symbol: Cl # 15    coordinates: [  0.455981590000000,  0.227990800000000,  0.909150580000000 ]    mass: 35.453000    reduced_to: 15  - symbol: Cl # 16    coordinates: [  0.561324130000000,  0.438675870000000,  0.757516090000000 ]    mass: 35.453000    reduced_to: 16  - symbol: Cl # 17    coordinates: [  0.772009200000000,  0.544018410000000,  0.909150580000000 ]    mass: 35.453000    reduced_to: 17  - symbol: Cl # 18    coordinates: [  0.561324130000000,  0.122648260000000,  0.757516090000000 ]    mass: 35.453000    reduced_to: 18  - symbol: Cl # 19    coordinates: [  0.859807690000000,  0.429903850000000,  0.081919890000000 ]    mass: 35.453000    reduced_to: 19  - symbol: Cl # 20    coordinates: [  0.763237190000000,  0.236762810000000,  0.584746780000000 ]    mass: 35.453000    reduced_to: 20  - symbol: Cl # 21    coordinates: [  0.473525640000000,  0.236762810000000,  0.584746780000000 ]    mass: 35.453000    reduced_to: 21  - symbol: Cl # 22    coordinates: [  0.570096150000000,  0.429903850000000,  0.081919890000000 ]    mass: 35.453000    reduced_to: 22  - symbol: Cl # 23    coordinates: [  0.570096150000000,  0.140192310000000,  0.081919890000000 ]    mass: 35.453000    reduced_to: 23  - symbol: Cl # 24    coordinates: [  0.763237190000000,  0.526474360000000,  0.584746780000000 ]    mass: 35.453000    reduced_to: 24  - symbol: Cl # 25    coordinates: [  0.561615840000000,  0.123231680000000,  0.408895730000000 ]    mass: 35.453000    reduced_to: 7  - symbol: Cl # 26    coordinates: [  0.105050830000000,  0.210101660000000,  0.924437610000000 ]    mass: 35.453000    reduced_to: 8  - symbol: Cl # 27    coordinates: [  0.105050830000000,  0.894949170000000,  0.924437610000000 ]    mass: 35.453000    reduced_to: 9  - symbol: Cl # 28    coordinates: [  0.876768320000000,  0.438384160000000,  0.408895730000000 ]    mass: 35.453000    reduced_to: 10  - symbol: Cl # 29    coordinates: [  0.561615840000000,  0.438384160000000,  0.408895730000000 ]    mass: 35.453000    reduced_to: 11  - symbol: Cl # 30    coordinates: [  0.789898340000000,  0.894949170000000,  0.924437610000000 ]    mass: 35.453000    reduced_to: 12  - symbol: Cl # 31    coordinates: [  0.544018410000000,  0.772009200000000,  0.090849420000000 ]    mass: 35.453000    reduced_to: 13  - symbol: Cl # 32    coordinates: [  0.438675870000000,  0.561324130000000,  0.242483910000000 ]    mass: 35.453000    reduced_to: 14  - symbol: Cl # 33    coordinates: [  0.122648260000000,  0.561324130000000,  0.242483910000000 ]    mass: 35.453000    reduced_to: 15  - symbol: Cl # 34    coordinates: [  0.227990800000000,  0.772009200000000,  0.090849420000000 ]    mass: 35.453000    reduced_to: 16  - symbol: Cl # 35    coordinates: [  0.438675870000000,  0.877351740000000,  0.242483910000000 ]    mass: 35.453000    reduced_to: 17  - symbol: Cl # 36    coordinates: [  0.227990800000000,  0.455981590000000,  0.090849420000000 ]    mass: 35.453000    reduced_to: 18  - symbol: Cl # 37    coordinates: [  0.526474360000000,  0.763237190000000,  0.415253220000000 ]    mass: 35.453000    reduced_to: 19  - symbol: Cl # 38    coordinates: [  0.429903850000000,  0.570096150000000,  0.918080110000000 ]    mass: 35.453000    reduced_to: 20  - symbol: Cl # 39    coordinates: [  0.140192310000000,  0.570096150000000,  0.918080110000000 ]    mass: 35.453000    reduced_to: 21  - symbol: Cl # 40    coordinates: [  0.236762810000000,  0.763237190000000,  0.415253220000000 ]    mass: 35.453000    reduced_to: 22  - symbol: Cl # 41    coordinates: [  0.236762810000000,  0.473525640000000,  0.415253220000000 ]    mass: 35.453000    reduced_to: 23  - symbol: Cl # 42    coordinates: [  0.429903850000000,  0.859807690000000,  0.918080110000000 ]    mass: 35.453000    reduced_to: 24  - symbol: Cl # 43    coordinates: [  0.228282510000000,  0.456565010000000,  0.742229060000000 ]    mass: 35.453000    reduced_to: 7  - symbol: Cl # 44    coordinates: [  0.771717490000000,  0.543434990000000,  0.257770940000000 ]    mass: 35.453000    reduced_to: 8  - symbol: Cl # 45    coordinates: [  0.771717490000000,  0.228282510000000,  0.257770940000000 ]    mass: 35.453000    reduced_to: 9  - symbol: Cl # 46    coordinates: [  0.543434990000000,  0.771717490000000,  0.742229060000000 ]    mass: 35.453000    reduced_to: 10  - symbol: Cl # 47    coordinates: [  0.228282510000000,  0.771717490000000,  0.742229060000000 ]    mass: 35.453000    reduced_to: 11  - symbol: Cl # 48    coordinates: [  0.456565010000000,  0.228282510000000,  0.257770940000000 ]    mass: 35.453000    reduced_to: 12  - symbol: Cl # 49    coordinates: [  0.210685080000000,  0.105342530000000,  0.424182760000000 ]    mass: 35.453000    reduced_to: 13  - symbol: Cl # 50    coordinates: [  0.105342530000000,  0.894657470000000,  0.575817240000000 ]    mass: 35.453000    reduced_to: 14  - symbol: Cl # 51    coordinates: [  0.789314920000000,  0.894657470000000,  0.575817240000000 ]    mass: 35.453000    reduced_to: 15  - symbol: Cl # 52    coordinates: [  0.894657470000000,  0.105342530000000,  0.424182760000000 ]    mass: 35.453000    reduced_to: 16  - symbol: Cl # 53    coordinates: [  0.105342530000000,  0.210685080000000,  0.575817240000000 ]    mass: 35.453000    reduced_to: 17  - symbol: Cl # 54    coordinates: [  0.894657470000000,  0.789314920000000,  0.424182760000000 ]    mass: 35.453000    reduced_to: 18  - symbol: Cl # 55    coordinates: [  0.193141020000000,  0.096570520000000,  0.748586560000000 ]    mass: 35.453000    reduced_to: 19  - symbol: Cl # 56    coordinates: [  0.096570520000000,  0.903429480000000,  0.251413440000000 ]    mass: 35.453000    reduced_to: 20  - symbol: Cl # 57    coordinates: [  0.806858980000000,  0.903429480000000,  0.251413440000000 ]    mass: 35.453000    reduced_to: 21  - symbol: Cl # 58    coordinates: [  0.903429480000000,  0.096570520000000,  0.748586560000000 ]    mass: 35.453000    reduced_to: 22  - symbol: Cl # 59    coordinates: [  0.903429480000000,  0.806858980000000,  0.748586560000000 ]    mass: 35.453000    reduced_to: 23  - symbol: Cl # 60    coordinates: [  0.096570520000000,  0.193141020000000,  0.251413440000000 ]    mass: 35.453000    reduced_to: 24  - symbol: Sb # 61    coordinates: [  0.666666670000000,  0.333333330000000,  0.833333330000000 ]    mass: 121.760000    reduced_to: 61  - symbol: Sb # 62    coordinates: [  0.333333330000000,  0.666666670000000,  0.666666670000000 ]    mass: 121.760000    reduced_to: 62  - symbol: Sb # 63    coordinates: [  0.333333330000000,  0.666666670000000,  0.166666670000000 ]    mass: 121.760000    reduced_to: 61  - symbol: Sb # 64    coordinates: [  0.000000000000000,  0.000000000000000,  0.000000000000000 ]    mass: 121.760000    reduced_to: 62  - symbol: Sb # 65    coordinates: [  0.000000000000000,  0.000000000000000,  0.500000000000000 ]    mass: 121.760000    reduced_to: 61  - symbol: Sb # 66    coordinates: [  0.666666670000000,  0.333333330000000,  0.333333330000000 ]    mass: 121.760000    reduced_to: 62displacements:- atom:    1  displacement:    [   0.0100000000000000,  0.0000000000000000,  0.0000000000000000 ]  forces:  - [  -0.1727503800000000,  0.0021460600000000,  0.0025434500000000 ]  - [  -0.0004769000000000, -0.0000015600000000, -0.0005614100000000 ]  - [   0.0007542900000000,  0.0000007400000000,  0.0005724200000000 ]  - [  -0.0001042800000000,  0.0000007200000000, -0.0005339300000000 ]  - [   0.0007541500000000, -0.0000035700000000,  0.0005343700000000 ]  - [   0.0053270900000000, -0.0000094900000000, -0.0005372500000000 ]  - [  -0.0000239300000000, -0.0001371000000000,  0.0002368100000000 ]  - [  -0.0009529400000000,  0.0001429900000000, -0.0002397400000000 ]  - [  -0.0019728600000000,  0.0005883500000000,  0.0012052200000000 ]  - [   0.0000415200000000,  0.0000360100000000,  0.0002369000000000 ]  - [  -0.0001985600000000,  0.0000990500000000,  0.0002362900000000 ]  - [  -0.0022030000000000, -0.0007222500000000, -0.0016721900000000 ]  - [   0.0092343600000000,  0.0038342200000000, -0.0022241900000000 ]  - [   0.0007605600000000,  0.0006281300000000, -0.0009626300000000 ]  - [   0.0003749100000000, -0.0008378500000000,  0.0009842500000000 ]  - [   0.0088057000000000, -0.0035800400000000,  0.0023861000000000 ]  - [   0.0018375300000000,  0.0002197200000000, -0.0000005100000000 ]  - [   0.0025991700000000, -0.0001471300000000,  0.0000470200000000 ]  - [   0.0001199200000000,  0.0000490000000000, -0.0002831400000000 ]  - [   0.0745853600000000, -0.0336175200000000, -0.0433616300000000 ]  - [   0.0714621000000000,  0.0315312700000000,  0.0418852000000000 ]  - [   0.0001149000000000, -0.0000476000000000, -0.0005278600000000 ]  - [   0.0000336600000000, -0.0000014400000000, -0.0004047200000000 ]  - [   0.0166154200000000, -0.0001200200000000,  0.0003712400000000 ]  - [   0.0009598600000000, -0.0001286400000000,  0.0002484800000000 ]  - [  -0.0000480600000000,  0.0001364100000000, -0.0002379200000000 ]  - [   0.0000798800000000, -0.0000726900000000, -0.0002062000000000 ]  - [   0.0015009200000000,  0.0003058100000000,  0.0017419200000000 ]  - [   0.0012833600000000, -0.0001933500000000, -0.0012751500000000 ]  - [  -0.0001610900000000, -0.0000641200000000, -0.0002690200000000 ]  - [   0.0001764100000000,  0.0001087700000000, -0.0000797800000000 ]  - [   0.0001042500000000, -0.0000719800000000, -0.0000324500000000 ]  - [  -0.0001918400000000, -0.0000967500000000, -0.0000335400000000 ]  - [  -0.0002054000000000,  0.0001094300000000,  0.0000526800000000 ]  - [  -0.0000221500000000,  0.0001687300000000, -0.0000336600000000 ]  - [  -0.0000141100000000, -0.0002174600000000, -0.0000125700000000 ]  - [   0.0000368700000000, -0.0001559300000000, -0.0004000300000000 ]  - [  -0.0002114100000000,  0.0000841400000000,  0.0002794400000000 ]  - [  -0.0002190700000000, -0.0000884500000000,  0.0005275700000000 ]  - [   0.0000271400000000,  0.0001586300000000, -0.0002824700000000 ]  - [   0.0003042900000000, -0.0000044400000000, -0.0003399600000000 ]  - [  -0.0000656900000000,  0.0000024300000000,  0.0004018900000000 ]  - [  -0.0005552100000000, -0.0001574300000000,  0.0002094100000000 ]  - [   0.0004919800000000,  0.0001551700000000, -0.0002091500000000 ]  - [   0.0002623100000000,  0.0001317800000000, -0.0001291700000000 ]  - [   0.0000474700000000,  0.0003460500000000,  0.0005282700000000 ]  - [  -0.0002249100000000, -0.0001926000000000, -0.0001132300000000 ]  - [  -0.0000099000000000, -0.0002906200000000, -0.0002868500000000 ]  - [  -0.0008836600000000, -0.0001909900000000, -0.0000134200000000 ]  - [  -0.0013849300000000,  0.0003266400000000, -0.0003040600000000 ]  - [  -0.0017275700000000, -0.0005119100000000,  0.0003211400000000 ]  - [  -0.0012293100000000,  0.0003919400000000, -0.0000048800000000 ]  - [  -0.0008299300000000,  0.0001992400000000,  0.0000093300000000 ]  - [  -0.0005518400000000, -0.0001898500000000, -0.0000097700000000 ]  - [  -0.0017535000000000, -0.0005578600000000, -0.0020584900000000 ]  - [  -0.0001968800000000,  0.0001038900000000,  0.0005480700000000 ]  - [  -0.0002169700000000, -0.0001147600000000,  0.0001598800000000 ]  - [  -0.0017826700000000,  0.0005721400000000,  0.0013526500000000 ]  - [  -0.0007896000000000, -0.0000061700000000, -0.0003564200000000 ]  - [  -0.0000174700000000,  0.0000122700000000,  0.0003512800000000 ]  - [  -0.0142293400000000, -0.0000513900000000,  0.0000017100000000 ]  - [   0.0051318900000000, -0.0000040800000000,  0.0000098900000000 ]  - [   0.0001130000000000, -0.0000021700000000,  0.0000077200000000 ]  - [   0.0002138000000000,  0.0000006300000000,  0.0000017500000000 ]  - [   0.0053604500000000, -0.0000155900000000,  0.0000032900000000 ]  - [  -0.0033091200000000,  0.0000144500000000,  0.0000017700000000 ]- atom:    1  displacement:    [   0.0000000000000000,  0.0000000000000000,  0.0100000000000000 ]  forces:  - [   0.0000000000000000,  0.0000000000000000, -0.1441617800000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0044814600000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0027826000000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0018075000000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0027453000000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0058202800000000 ]  - [   0.0000000000000000, -0.0000364300000000, -0.0002489700000000 ]  - [   0.0000000000000000, -0.0007286600000000,  0.0020422900000000 ]  - [  -0.0006310400000000,  0.0003643300000000,  0.0020422900000000 ]  - [   0.0000315500000000,  0.0000182200000000, -0.0002489700000000 ]  - [  -0.0000315500000000,  0.0000182200000000, -0.0002489700000000 ]  - [   0.0006310400000000,  0.0003643300000000,  0.0020422900000000 ]  - [   0.0008099600000000,  0.0004676300000000, -0.0056639000000000 ]  - [  -0.0002464800000000,  0.0001423000000000, -0.0030082100000000 ]  - [   0.0002464800000000,  0.0001423000000000, -0.0030082100000000 ]  - [  -0.0008099600000000,  0.0004676300000000, -0.0056639000000000 ]  - [   0.0000000000000000, -0.0002846000000000, -0.0030082100000000 ]  - [   0.0000000000000000, -0.0009352600000000, -0.0056639000000000 ]  - [  -0.0006989600000000, -0.0004035400000000, -0.0010285800000000 ]  - [  -0.0387738000000000,  0.0223860600000000,  0.0492459100000000 ]  - [   0.0387738000000000,  0.0223860600000000,  0.0492459100000000 ]  - [   0.0006989600000000, -0.0004035400000000, -0.0010285800000000 ]  - [   0.0000000000000000,  0.0008070900000000, -0.0010285800000000 ]  - [   0.0000000000000000, -0.0447721300000000,  0.0492459100000000 ]  - [   0.0000000000000000,  0.0003080600000000, -0.0015671000000000 ]  - [   0.0000000000000000,  0.0003794000000000, -0.0005558000000000 ]  - [   0.0003285700000000, -0.0001897000000000, -0.0005558000000000 ]  - [  -0.0002667900000000, -0.0001540300000000, -0.0015671000000000 ]  - [   0.0002667900000000, -0.0001540300000000, -0.0015671000000000 ]  - [  -0.0003285700000000, -0.0001897000000000, -0.0005558000000000 ]  - [   0.0002724500000000,  0.0001573000000000, -0.0012411900000000 ]  - [   0.0001075600000000, -0.0000621000000000, -0.0010520300000000 ]  - [  -0.0001075600000000, -0.0000621000000000, -0.0010520300000000 ]  - [  -0.0002724500000000,  0.0001573000000000, -0.0012411900000000 ]  - [   0.0000000000000000,  0.0001242000000000, -0.0010520300000000 ]  - [   0.0000000000000000, -0.0003146000000000, -0.0012411900000000 ]  - [  -0.0003530600000000, -0.0002038400000000, -0.0006816500000000 ]  - [   0.0000852600000000, -0.0000492300000000,  0.0004178400000000 ]  - [  -0.0000852600000000, -0.0000492300000000,  0.0004178400000000 ]  - [   0.0003530600000000, -0.0002038400000000, -0.0006816500000000 ]  - [   0.0000000000000000,  0.0004076800000000, -0.0006816500000000 ]  - [   0.0000000000000000,  0.0000984500000000,  0.0004178400000000 ]  - [   0.0000000000000000, -0.0012134400000000,  0.0021642700000000 ]  - [   0.0000000000000000,  0.0008796200000000, -0.0015266700000000 ]  - [   0.0007617700000000, -0.0004398100000000, -0.0015266700000000 ]  - [   0.0010508700000000,  0.0006067200000000,  0.0021642700000000 ]  - [  -0.0010508700000000,  0.0006067200000000,  0.0021642700000000 ]  - [  -0.0007617700000000, -0.0004398100000000, -0.0015266700000000 ]  - [   0.0003050300000000,  0.0001761100000000, -0.0003741700000000 ]  - [  -0.0005305700000000,  0.0003063200000000,  0.0001330000000000 ]  - [   0.0005305700000000,  0.0003063200000000,  0.0001330000000000 ]  - [  -0.0003050300000000,  0.0001761100000000, -0.0003741700000000 ]  - [   0.0000000000000000, -0.0006126400000000,  0.0001330000000000 ]  - [   0.0000000000000000, -0.0003522200000000, -0.0003741700000000 ]  - [  -0.0000395300000000, -0.0000228200000000,  0.0001813000000000 ]  - [   0.0003268600000000, -0.0001887100000000,  0.0002052400000000 ]  - [  -0.0003268600000000, -0.0001887100000000,  0.0002052400000000 ]  - [   0.0000395300000000, -0.0000228200000000,  0.0001813000000000 ]  - [   0.0000000000000000,  0.0000456400000000,  0.0001813000000000 ]  - [   0.0000000000000000,  0.0003774300000000,  0.0002052400000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0211607400000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0097655000000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0044376600000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0016445800000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0022367600000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0061262500000000 ]- atom:    1  displacement:    [   0.0000000000000000,  0.0000000000000000, -0.0100000000000000 ]  forces:  - [   0.0000000000000000,  0.0000000000000000,  0.1463503600000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0055706900000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0016161000000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0028544000000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0016532800000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0046921000000000 ]  - [   0.0000000000000000, -0.0002381600000000,  0.0007186700000000 ]  - [   0.0000000000000000,  0.0009756900000000, -0.0024832600000000 ]  - [   0.0008449700000000, -0.0004878400000000, -0.0024832600000000 ]  - [   0.0002062500000000,  0.0001190800000000,  0.0007186700000000 ]  - [  -0.0002062500000000,  0.0001190800000000,  0.0007186700000000 ]  - [  -0.0008449700000000, -0.0004878400000000, -0.0024832600000000 ]  - [  -0.0005004600000000, -0.0002889400000000,  0.0056834700000000 ]  - [   0.0006249700000000, -0.0003608300000000,  0.0030033500000000 ]  - [  -0.0006249700000000, -0.0003608300000000,  0.0030033500000000 ]  - [   0.0005004600000000, -0.0002889400000000,  0.0056834700000000 ]  - [   0.0000000000000000,  0.0007216500000000,  0.0030033500000000 ]  - [   0.0000000000000000,  0.0005778900000000,  0.0056834700000000 ]  - [   0.0006991300000000,  0.0004036400000000,  0.0002146400000000 ]  - [   0.0398504900000000, -0.0230076900000000, -0.0489812600000000 ]  - [  -0.0398504900000000, -0.0230076900000000, -0.0489812600000000 ]  - [  -0.0006991300000000,  0.0004036400000000,  0.0002146400000000 ]  - [   0.0000000000000000, -0.0008072800000000,  0.0002146400000000 ]  - [   0.0000000000000000,  0.0460153800000000, -0.0489812600000000 ]  - [   0.0000000000000000, -0.0005518200000000,  0.0020278500000000 ]  - [   0.0000000000000000, -0.0001009600000000,  0.0000762100000000 ]  - [  -0.0000874300000000,  0.0000504800000000,  0.0000762100000000 ]  - [   0.0004778900000000,  0.0002759100000000,  0.0020278500000000 ]  - [  -0.0004778900000000,  0.0002759100000000,  0.0020278500000000 ]  - [   0.0000874300000000,  0.0000504800000000,  0.0000762100000000 ]  - [   0.0001081800000000,  0.0000624600000000,  0.0012033800000000 ]  - [   0.0001870900000000, -0.0001080100000000,  0.0009769200000000 ]  - [  -0.0001870900000000, -0.0001080100000000,  0.0009769200000000 ]  - [  -0.0001081800000000,  0.0000624600000000,  0.0012033800000000 ]  - [   0.0000000000000000,  0.0002160300000000,  0.0009769200000000 ]  - [   0.0000000000000000, -0.0001249200000000,  0.0012033800000000 ]  - [   0.0003579700000000,  0.0002066700000000, -0.0000033200000000 ]  - [  -0.0000753800000000,  0.0000435200000000,  0.0003877900000000 ]  - [   0.0000753800000000,  0.0000435200000000,  0.0003877900000000 ]  - [  -0.0003579700000000,  0.0002066700000000, -0.0000033200000000 ]  - [   0.0000000000000000, -0.0004133400000000, -0.0000033200000000 ]  - [   0.0000000000000000, -0.0000870400000000,  0.0003877900000000 ]  - [   0.0000000000000000,  0.0008863100000000, -0.0017236200000000 ]  - [   0.0000000000000000, -0.0005601700000000,  0.0010982400000000 ]  - [  -0.0004851200000000,  0.0002800800000000,  0.0010982400000000 ]  - [  -0.0007675700000000, -0.0004431600000000, -0.0017236200000000 ]  - [   0.0007675700000000, -0.0004431600000000, -0.0017236200000000 ]  - [   0.0004851200000000,  0.0002800800000000,  0.0010982400000000 ]  - [   0.0000322900000000,  0.0000186400000000,  0.0003500100000000 ]  - [   0.0008657900000000, -0.0004998600000000, -0.0001101800000000 ]  - [  -0.0008657900000000, -0.0004998600000000, -0.0001101800000000 ]  - [  -0.0000322900000000,  0.0000186400000000,  0.0003500100000000 ]  - [   0.0000000000000000,  0.0009997300000000, -0.0001101800000000 ]  - [   0.0000000000000000, -0.0000372900000000,  0.0003500100000000 ]  - [   0.0000675700000000,  0.0000390100000000, -0.0008823200000000 ]  - [  -0.0003029800000000,  0.0001749200000000,  0.0004985300000000 ]  - [   0.0003029800000000,  0.0001749200000000,  0.0004985300000000 ]  - [  -0.0000675700000000,  0.0000390100000000, -0.0008823200000000 ]  - [   0.0000000000000000, -0.0000780200000000, -0.0008823200000000 ]  - [   0.0000000000000000, -0.0003498500000000,  0.0004985300000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0208406700000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0096551900000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0043849400000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0016259800000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0022256000000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0060913200000000 ]- atom:    7  displacement:    [  -0.0050000000003769,  0.0086602540376268,  0.0000000000000000 ]  forces:  - [   0.0000140000000000, -0.0000817300000000,  0.0006254900000000 ]  - [   0.0004790500000000, -0.0021283300000000, -0.0012994100000000 ]  - [   0.0002780500000000,  0.0000574700000000, -0.0003411500000000 ]  - [   0.0000215200000000, -0.0000351300000000, -0.0003293200000000 ]  - [  -0.0004687000000000,  0.0013401100000000,  0.0009054600000000 ]  - [  -0.0002496000000000,  0.0000022700000000,  0.0000980200000000 ]  - [   0.0088087700000000, -0.0650176500000000,  0.0354271600000000 ]  - [  -0.0000179600000000,  0.0001770600000000, -0.0003504100000000 ]  - [   0.0001780200000000, -0.0001240200000000, -0.0003552100000000 ]  - [   0.0038605200000000,  0.0040220300000000, -0.0000268500000000 ]  - [  -0.0054737500000000,  0.0101336000000000, -0.0003669000000000 ]  - [  -0.0001737600000000, -0.0000995600000000, -0.0003303800000000 ]  - [  -0.0000086300000000,  0.0001841700000000,  0.0001907800000000 ]  - [  -0.0000601600000000,  0.0001309600000000,  0.0001228900000000 ]  - [  -0.0001067100000000,  0.0001308700000000,  0.0001462700000000 ]  - [   0.0000180600000000,  0.0001612700000000,  0.0002647400000000 ]  - [  -0.0001256400000000,  0.0010310000000000, -0.0001251500000000 ]  - [  -0.0000208500000000, -0.0001492400000000, -0.0000946000000000 ]  - [   0.0002787900000000,  0.0008407300000000, -0.0000910100000000 ]  - [   0.0000145900000000, -0.0000056800000000,  0.0003692600000000 ]  - [  -0.0000214500000000, -0.0000064800000000,  0.0003627900000000 ]  - [  -0.0007805500000000,  0.0007641800000000,  0.0001369400000000 ]  - [   0.0000566600000000,  0.0010974500000000, -0.0009364200000000 ]  - [  -0.0000024500000000,  0.0000531500000000,  0.0003371200000000 ]  - [  -0.0000094400000000, -0.0001016200000000,  0.0002391800000000 ]  - [   0.0003336500000000,  0.0027401500000000, -0.0024400700000000 ]  - [   0.0005380600000000, -0.0018618700000000,  0.0005875100000000 ]  - [  -0.0000341700000000,  0.0001193900000000,  0.0000624200000000 ]  - [   0.0000332000000000,  0.0001030200000000,  0.0000543700000000 ]  - [  -0.0021353300000000,  0.0005922000000000, -0.0051945400000000 ]  - [  -0.0004370300000000,  0.0003866700000000,  0.0002165300000000 ]  - [   0.0002793200000000, -0.0001040300000000,  0.0001320700000000 ]  - [  -0.0002286300000000, -0.0000473700000000,  0.0000295700000000 ]  - [  -0.0009162000000000,  0.0009861400000000, -0.0004925700000000 ]  - [  -0.0000634900000000,  0.0001112400000000, -0.0002466300000000 ]  - [  -0.0001271500000000,  0.0000995900000000,  0.0003641300000000 ]  - [  -0.0000355600000000, -0.0000099100000000, -0.0003466600000000 ]  - [  -0.0002858000000000,  0.0001112500000000,  0.0005953600000000 ]  - [   0.0001176200000000, -0.0000764300000000,  0.0004564600000000 ]  - [   0.0000234700000000, -0.0000049100000000, -0.0003338500000000 ]  - [  -0.0000009700000000,  0.0000429400000000, -0.0003590100000000 ]  - [   0.0000704200000000, -0.0002547700000000,  0.0006058900000000 ]  - [  -0.0000096700000000, -0.0001316300000000,  0.0001484000000000 ]  - [   0.0000181500000000,  0.0007898100000000, -0.0004580200000000 ]  - [  -0.0001043000000000,  0.0001692200000000, -0.0001317700000000 ]  - [  -0.0000090300000000, -0.0000091300000000,  0.0000824900000000 ]  - [  -0.0001189300000000,  0.0000475100000000,  0.0001356700000000 ]  - [   0.0000126100000000,  0.0001190700000000, -0.0001770700000000 ]  - [   0.0001812100000000,  0.0000769200000000, -0.0002039800000000 ]  - [   0.0001747300000000, -0.0000994900000000, -0.0001903600000000 ]  - [  -0.0001599600000000, -0.0000932000000000, -0.0001753400000000 ]  - [  -0.0001643300000000,  0.0000807100000000, -0.0002009400000000 ]  - [   0.0000052600000000,  0.0001943900000000, -0.0001808600000000 ]  - [   0.0000065700000000, -0.0002464900000000, -0.0001259100000000 ]  - [  -0.0000407500000000, -0.0000318200000000, -0.0003819400000000 ]  - [   0.0007671500000000, -0.0003348000000000,  0.0001962300000000 ]  - [  -0.0005306100000000,  0.0000952500000000,  0.0007714800000000 ]  - [   0.0002293100000000, -0.0001418200000000, -0.0004462800000000 ]  - [   0.0000001100000000,  0.0001786300000000, -0.0004303100000000 ]  - [  -0.0000230500000000, -0.0005992600000000,  0.0004012600000000 ]  - [   0.0002427800000000, -0.0012862900000000, -0.0001508800000000 ]  - [   0.0001337700000000,  0.0001087100000000,  0.0004692300000000 ]  - [   0.0004408600000000, -0.0011738500000000, -0.0000187900000000 ]  - [  -0.0047416100000000,  0.0480672700000000, -0.0283001800000000 ]  - [  -0.0000084700000000, -0.0000043200000000,  0.0006322500000000 ]  - [   0.0000783500000000, -0.0010855900000000,  0.0004653200000000 ]- atom:    7  displacement:    [   0.0050000000003769, -0.0086602540376268,  0.0000000000000000 ]  forces:  - [  -0.0000122200000000,  0.0000813500000000,  0.0004509600000000 ]  - [  -0.0004714500000000,  0.0021474300000000,  0.0001768000000000 ]  - [  -0.0002791600000000, -0.0000638100000000,  0.0014768500000000 ]  - [  -0.0000241400000000,  0.0000358400000000, -0.0007455400000000 ]  - [   0.0004887400000000, -0.0013245100000000,  0.0001608000000000 ]  - [   0.0002445500000000,  0.0000006600000000, -0.0011485800000000 ]  - [  -0.0089038700000000,  0.0629608800000000, -0.0335755300000000 ]  - [   0.0000132200000000,  0.0000721500000000, -0.0001174900000000 ]  - [   0.0000431100000000, -0.0000030400000000, -0.0001122700000000 ]  - [  -0.0035753300000000, -0.0038716200000000,  0.0005105700000000 ]  - [   0.0050815300000000, -0.0097479000000000,  0.0008496300000000 ]  - [  -0.0000425600000000, -0.0000192900000000, -0.0001363500000000 ]  - [   0.0003082300000000, -0.0000183400000000, -0.0001342500000000 ]  - [   0.0004471400000000, -0.0003552100000000, -0.0000981200000000 ]  - [  -0.0002760600000000, -0.0003473300000000, -0.0001224200000000 ]  - [  -0.0003194500000000,  0.0000117000000000, -0.0002065000000000 ]  - [   0.0001233300000000, -0.0006010600000000,  0.0001535200000000 ]  - [   0.0000260200000000, -0.0001895100000000,  0.0001572800000000 ]  - [  -0.0002713100000000, -0.0008775900000000, -0.0007257100000000 ]  - [  -0.0000059100000000,  0.0000008700000000,  0.0003118300000000 ]  - [   0.0000125000000000,  0.0000035000000000,  0.0003182000000000 ]  - [   0.0007726900000000, -0.0007794700000000, -0.0009504500000000 ]  - [  -0.0000559100000000, -0.0011094700000000,  0.0001345500000000 ]  - [   0.0000009300000000, -0.0000448100000000,  0.0003410500000000 ]  - [   0.0000141300000000, -0.0001488500000000,  0.0002299300000000 ]  - [  -0.0003352500000000, -0.0024801100000000,  0.0019700100000000 ]  - [  -0.0003122400000000,  0.0016992700000000, -0.0010254400000000 ]  - [   0.0002537200000000,  0.0000003500000000,  0.0004077000000000 ]  - [  -0.0002570300000000,  0.0000246400000000,  0.0004161100000000 ]  - [   0.0018795000000000, -0.0007438700000000,  0.0046753600000000 ]  - [   0.0008239500000000, -0.0001648700000000, -0.0002501800000000 ]  - [   0.0000197500000000, -0.0000676600000000, -0.0001969200000000 ]  - [  -0.0000665000000000, -0.0001171300000000, -0.0000913600000000 ]  - [   0.0005422000000000, -0.0007697100000000,  0.0004736300000000 ]  - [   0.0000606100000000,  0.0002285100000000,  0.0001836000000000 ]  - [   0.0001318900000000, -0.0005345600000000, -0.0003876900000000 ]  - [   0.0000449900000000,  0.0000131500000000, -0.0003340800000000 ]  - [   0.0002923800000000, -0.0001147100000000,  0.0002139700000000 ]  - [  -0.0001233000000000,  0.0000761400000000,  0.0003553300000000 ]  - [  -0.0000312300000000,  0.0000097400000000, -0.0003475800000000 ]  - [   0.0000029300000000, -0.0000504900000000, -0.0003194300000000 ]  - [  -0.0000718100000000,  0.0002631900000000,  0.0001993700000000 ]  - [   0.0000138800000000, -0.0001788500000000,  0.0002682300000000 ]  - [  -0.0000219300000000, -0.0004856100000000,  0.0000418600000000 ]  - [   0.0003827100000000, -0.0003301800000000, -0.0002856700000000 ]  - [   0.0002789500000000,  0.0001601000000000,  0.0003331700000000 ]  - [  -0.0001596300000000,  0.0001132400000000,  0.0002827700000000 ]  - [  -0.0002843800000000, -0.0002715700000000, -0.0002386700000000 ]  - [   0.0001607700000000,  0.0001166100000000,  0.0001845300000000 ]  - [   0.0001739500000000, -0.0001024100000000,  0.0002062200000000 ]  - [  -0.0001818000000000, -0.0000999000000000,  0.0001908000000000 ]  - [  -0.0001843300000000,  0.0001217700000000,  0.0001813300000000 ]  - [  -0.0000090000000000,  0.0001977000000000,  0.0001940900000000 ]  - [  -0.0000023700000000, -0.0001455000000000,  0.0001097900000000 ]  - [   0.0000613200000000,  0.0000415200000000, -0.0003275400000000 ]  - [  -0.0007540500000000,  0.0003206300000000,  0.0005075000000000 ]  - [   0.0004955900000000, -0.0001136100000000, -0.0000626800000000 ]  - [  -0.0002456800000000,  0.0001516000000000, -0.0002642100000000 ]  - [   0.0000019100000000, -0.0001995100000000, -0.0002764200000000 ]  - [   0.0000204000000000,  0.0006147900000000,  0.0003059700000000 ]  - [  -0.0002448600000000,  0.0012933700000000,  0.0001489500000000 ]  - [  -0.0001289300000000, -0.0001116300000000, -0.0004666200000000 ]  - [  -0.0004509200000000,  0.0011658400000000,  0.0000321300000000 ]  - [   0.0049563400000000, -0.0464428800000000,  0.0268972800000000 ]  - [   0.0000085400000000,  0.0000037500000000, -0.0006280700000000 ]  - [  -0.0000797600000000,  0.0010962400000000, -0.0004758800000000 ]- atom:    7  displacement:    [   0.0000000000000000,  0.0000000000000000,  0.0100000000000000 ]  forces:  - [   0.0000000000000000, -0.0000015900000000,  0.0000487800000000 ]  - [   0.0000000000000000,  0.0016603600000000,  0.0016960000000000 ]  - [   0.0000000000000000, -0.0003683500000000,  0.0025152800000000 ]  - [   0.0000000000000000,  0.0000372400000000, -0.0008500100000000 ]  - [   0.0000000000000000, -0.0017553600000000, -0.0012792200000000 ]  - [   0.0000000000000000,  0.0000938500000000, -0.0018396000000000 ]  - [   0.0000000000000000,  0.0390547300000000, -0.0451548100000000 ]  - [   0.0000000000000000, -0.0000102600000000,  0.0000150000000000 ]  - [   0.0000120900000000,  0.0000226300000000, -0.0000109900000000 ]  - [   0.0003792200000000,  0.0005936000000000, -0.0017212100000000 ]  - [  -0.0003792200000000,  0.0005936000000000, -0.0017212100000000 ]  - [  -0.0000120900000000,  0.0000226300000000, -0.0000109900000000 ]  - [   0.0001300700000000,  0.0000877600000000,  0.0001670700000000 ]  - [   0.0002487400000000, -0.0000478300000000, -0.0002351400000000 ]  - [  -0.0002487400000000, -0.0000478300000000, -0.0002351400000000 ]  - [  -0.0001300700000000,  0.0000877600000000,  0.0001670700000000 ]  - [   0.0000000000000000,  0.0003417800000000, -0.0000561800000000 ]  - [   0.0000000000000000, -0.0002388600000000,  0.0000737700000000 ]  - [  -0.0008212900000000, -0.0004280100000000, -0.0010587600000000 ]  - [  -0.0000715500000000,  0.0000445700000000,  0.0003500500000000 ]  - [   0.0000715500000000,  0.0000445700000000,  0.0003500500000000 ]  - [   0.0008212900000000, -0.0004280100000000, -0.0010587600000000 ]  - [   0.0000000000000000, -0.0004029500000000, -0.0003487400000000 ]  - [   0.0000000000000000, -0.0000879000000000,  0.0003505900000000 ]  - [   0.0000000000000000, -0.0001935000000000,  0.0003500000000000 ]  - [   0.0000000000000000, -0.0024154100000000,  0.0007123700000000 ]  - [  -0.0047579600000000, -0.0038197400000000,  0.0065879100000000 ]  - [   0.0002352800000000,  0.0000739000000000,  0.0004408700000000 ]  - [  -0.0002352800000000,  0.0000739000000000,  0.0004408700000000 ]  - [   0.0047579600000000, -0.0038197400000000,  0.0065879100000000 ]  - [   0.0000646800000000, -0.0002219800000000, -0.0000495300000000 ]  - [   0.0000337100000000, -0.0000448600000000, -0.0001406800000000 ]  - [  -0.0000337100000000, -0.0000448600000000, -0.0001406800000000 ]  - [  -0.0000646800000000, -0.0002219800000000, -0.0000495300000000 ]  - [   0.0000000000000000,  0.0001199900000000,  0.0000084600000000 ]  - [   0.0000000000000000, -0.0003872600000000, -0.0003929100000000 ]  - [   0.0000692100000000,  0.0000344100000000, -0.0003745500000000 ]  - [   0.0002250000000000, -0.0001590900000000,  0.0001252000000000 ]  - [  -0.0002250000000000, -0.0001590900000000,  0.0001252000000000 ]  - [  -0.0000692100000000,  0.0000344100000000, -0.0003745500000000 ]  - [   0.0000000000000000, -0.0000999700000000, -0.0003463800000000 ]  - [   0.0000000000000000,  0.0006177000000000, -0.0000458000000000 ]  - [   0.0000000000000000, -0.0001504700000000,  0.0003252900000000 ]  - [   0.0000000000000000, -0.0001361600000000, -0.0000115400000000 ]  - [   0.0001682100000000, -0.0001495900000000, -0.0001197000000000 ]  - [   0.0003093400000000,  0.0001866800000000,  0.0004154400000000 ]  - [  -0.0003093400000000,  0.0001866800000000,  0.0004154400000000 ]  - [  -0.0001682100000000, -0.0001495900000000, -0.0001197000000000 ]  - [   0.0001601200000000,  0.0001232200000000,  0.0005457400000000 ]  - [   0.0001924200000000, -0.0001154900000000,  0.0004540000000000 ]  - [  -0.0001924200000000, -0.0001154900000000,  0.0004540000000000 ]  - [  -0.0001601200000000,  0.0001232200000000,  0.0005457400000000 ]  - [   0.0000000000000000,  0.0002163200000000,  0.0004827300000000 ]  - [   0.0000000000000000, -0.0001448300000000,  0.0004366800000000 ]  - [   0.0002729500000000,  0.0001736300000000, -0.0002197500000000 ]  - [  -0.0001805900000000,  0.0007667200000000,  0.0016160900000000 ]  - [   0.0001805900000000,  0.0007667200000000,  0.0016160900000000 ]  - [  -0.0002729500000000,  0.0001736300000000, -0.0002197500000000 ]  - [   0.0000000000000000, -0.0003702800000000, -0.0002417500000000 ]  - [   0.0000000000000000,  0.0004256300000000,  0.0003162000000000 ]  - [   0.0000000000000000, -0.0000650800000000, -0.0001492700000000 ]  - [   0.0000000000000000, -0.0002222100000000, -0.0009368000000000 ]  - [   0.0000000000000000,  0.0005951500000000,  0.0001692800000000 ]  - [   0.0000000000000000, -0.0308711100000000,  0.0330258400000000 ]  - [   0.0000000000000000,  0.0000291700000000, -0.0016388700000000 ]  - [   0.0000000000000000,  0.0004885700000000, -0.0007785100000000 ]- atom:    7  displacement:    [   0.0000000000000000,  0.0000000000000000, -0.0100000000000000 ]  forces:  - [   0.0000000000000000, -0.0000004100000000,  0.0010167900000000 ]  - [   0.0000000000000000, -0.0016623500000000, -0.0028302700000000 ]  - [   0.0000000000000000,  0.0003739000000000, -0.0013726700000000 ]  - [   0.0000000000000000, -0.0000360200000000, -0.0002191000000000 ]  - [   0.0000000000000000,  0.0017286200000000,  0.0023160200000000 ]  - [   0.0000000000000000, -0.0000895500000000,  0.0007844300000000 ]  - [   0.0000000000000000, -0.0406159200000000,  0.0463770300000000 ]  - [   0.0000000000000000,  0.0002592300000000, -0.0004824400000000 ]  - [   0.0002065900000000, -0.0001461000000000, -0.0004553500000000 ]  - [  -0.0001576100000000, -0.0005008500000000,  0.0022012300000000 ]  - [   0.0001576100000000, -0.0005008500000000,  0.0022012300000000 ]  - [  -0.0002065900000000, -0.0001461000000000, -0.0004553500000000 ]  - [   0.0001655500000000,  0.0000818200000000, -0.0000994800000000 ]  - [   0.0001329200000000, -0.0001704300000000,  0.0002602700000000 ]  - [  -0.0001329200000000, -0.0001704300000000,  0.0002602700000000 ]  - [  -0.0001655500000000,  0.0000818200000000, -0.0000994800000000 ]  - [   0.0000000000000000,  0.0000929200000000,  0.0000721500000000 ]  - [   0.0000000000000000, -0.0000977000000000, -0.0000064200000000 ]  - [   0.0008243900000000,  0.0004350900000000,  0.0002498700000000 ]  - [   0.0000791700000000, -0.0000477900000000,  0.0003326600000000 ]  - [  -0.0000791700000000, -0.0000477900000000,  0.0003326600000000 ]  - [  -0.0008243900000000,  0.0004350900000000,  0.0002498700000000 ]  - [   0.0000000000000000,  0.0003968300000000, -0.0004572700000000 ]  - [   0.0000000000000000,  0.0000951900000000,  0.0003288400000000 ]  - [   0.0000000000000000, -0.0000558100000000,  0.0001171500000000 ]  - [   0.0000000000000000,  0.0026774800000000, -0.0011754500000000 ]  - [   0.0051130300000000,  0.0037417100000000, -0.0071937500000000 ]  - [  -0.0000148000000000,  0.0000491000000000,  0.0000275100000000 ]  - [   0.0000148000000000,  0.0000491000000000,  0.0000275100000000 ]  - [  -0.0051130300000000,  0.0037417100000000, -0.0071937500000000 ]  - [   0.0003186400000000,  0.0004420500000000,  0.0000177900000000 ]  - [   0.0002616000000000, -0.0001232100000000,  0.0000732100000000 ]  - [  -0.0002616000000000, -0.0001232100000000,  0.0000732100000000 ]  - [  -0.0003186400000000,  0.0004420500000000,  0.0000177900000000 ]  - [   0.0000000000000000,  0.0002171200000000, -0.0000772800000000 ]  - [   0.0000000000000000, -0.0000490700000000,  0.0003652000000000 ]  - [  -0.0000609100000000, -0.0000307600000000, -0.0003090700000000 ]  - [  -0.0002172200000000,  0.0001549100000000,  0.0006811700000000 ]  - [   0.0002172200000000,  0.0001549100000000,  0.0006811700000000 ]  - [   0.0000609100000000, -0.0000307600000000, -0.0003090700000000 ]  - [   0.0000000000000000,  0.0000918700000000, -0.0003338400000000 ]  - [   0.0000000000000000, -0.0006145800000000,  0.0008522700000000 ]  - [   0.0000000000000000, -0.0001616700000000,  0.0000925000000000 ]  - [   0.0000000000000000,  0.0004418500000000, -0.0004043000000000 ]  - [   0.0001072600000000, -0.0000077600000000, -0.0002984400000000 ]  - [  -0.0000355000000000, -0.0000313300000000,  0.0000020700000000 ]  - [   0.0000355000000000, -0.0000313300000000,  0.0000020700000000 ]  - [  -0.0001072600000000, -0.0000077600000000, -0.0002984400000000 ]  - [   0.0001851400000000,  0.0000755200000000, -0.0005565700000000 ]  - [   0.0001529500000000, -0.0000824500000000, -0.0004354900000000 ]  - [  -0.0001529500000000, -0.0000824500000000, -0.0004354900000000 ]  - [  -0.0001851400000000,  0.0000755200000000, -0.0005565700000000 ]  - [   0.0000000000000000,  0.0001758900000000, -0.0004664200000000 ]  - [   0.0000000000000000, -0.0002467100000000, -0.0004478700000000 ]  - [  -0.0002549100000000, -0.0001651000000000, -0.0004900100000000 ]  - [   0.0002095600000000, -0.0007614800000000, -0.0008746000000000 ]  - [  -0.0002095600000000, -0.0007614800000000, -0.0008746000000000 ]  - [   0.0002549100000000, -0.0001651000000000, -0.0004900100000000 ]  - [   0.0000000000000000,  0.0003489500000000, -0.0004639800000000 ]  - [   0.0000000000000000, -0.0003968500000000,  0.0003886600000000 ]  - [   0.0000000000000000,  0.0000542100000000,  0.0001268100000000 ]  - [   0.0000000000000000,  0.0002217500000000,  0.0009369800000000 ]  - [   0.0000000000000000, -0.0005996100000000, -0.0001426000000000 ]  - [   0.0000000000000000,  0.0321305700000000, -0.0335602000000000 ]  - [   0.0000000000000000, -0.0000283000000000,  0.0016273900000000 ]  - [   0.0000000000000000, -0.0004777100000000,  0.0007718400000000 ]- atom:   13  displacement:    [   0.0100000000000000,  0.0000000000000000,  0.0000000000000000 ]  forces:  - [   0.0089562800000000,  0.0036547400000000,  0.0011098800000000 ]  - [   0.0005635100000000, -0.0007329100000000, -0.0001249800000000 ]  - [  -0.0010545000000000, -0.0002913100000000,  0.0007024000000000 ]  - [  -0.0000459700000000, -0.0000139700000000, -0.0004908500000000 ]  - [  -0.0000115500000000,  0.0000006600000000,  0.0005997800000000 ]  - [  -0.0015621800000000, -0.0004137800000000,  0.0001793200000000 ]  - [  -0.0000086400000000, -0.0003191600000000,  0.0002154000000000 ]  - [   0.0001667500000000,  0.0003151000000000, -0.0002884500000000 ]  - [   0.0004432400000000, -0.0001542900000000, -0.0002055200000000 ]  - [   0.0001422600000000,  0.0000525300000000,  0.0002940900000000 ]  - [  -0.0001371700000000,  0.0000462100000000,  0.0002268700000000 ]  - [   0.0006725900000000,  0.0002471100000000, -0.0003428600000000 ]  - [  -0.0662424800000000, -0.0292493200000000,  0.0298043700000000 ]  - [  -0.0008869800000000, -0.0013935000000000,  0.0021651800000000 ]  - [   0.0014877700000000,  0.0011946400000000, -0.0020218200000000 ]  - [   0.0081740800000000,  0.0017380500000000, -0.0003320400000000 ]  - [   0.0008648900000000,  0.0003922100000000, -0.0034778400000000 ]  - [   0.0009854300000000,  0.0024706500000000, -0.0002692200000000 ]  - [  -0.0000930200000000, -0.0000271700000000, -0.0005289200000000 ]  - [  -0.0017607600000000,  0.0001297500000000,  0.0007029300000000 ]  - [   0.0005877100000000,  0.0004149400000000,  0.0020608600000000 ]  - [  -0.0001704500000000,  0.0001338800000000, -0.0003127200000000 ]  - [  -0.0000378100000000,  0.0002190700000000, -0.0005700500000000 ]  - [  -0.0002562500000000, -0.0009982100000000,  0.0010783400000000 ]  - [  -0.0000183000000000, -0.0001180200000000,  0.0002174400000000 ]  - [  -0.0000516200000000,  0.0000076200000000, -0.0001184100000000 ]  - [   0.0000354000000000, -0.0001016300000000, -0.0001419700000000 ]  - [   0.0000564700000000,  0.0000353200000000,  0.0001853300000000 ]  - [  -0.0001285600000000,  0.0000617000000000,  0.0002446000000000 ]  - [  -0.0001336600000000, -0.0001456200000000, -0.0001905200000000 ]  - [   0.0002537500000000,  0.0001518400000000,  0.0001417200000000 ]  - [   0.0001567200000000, -0.0000934500000000, -0.0000176000000000 ]  - [  -0.0001606500000000, -0.0000870800000000, -0.0000250500000000 ]  - [  -0.0001955000000000,  0.0001194400000000, -0.0000092100000000 ]  - [  -0.0000070700000000,  0.0001829500000000, -0.0000253000000000 ]  - [   0.0000014700000000, -0.0002241500000000,  0.0000173700000000 ]  - [   0.0000050500000000,  0.0000028500000000, -0.0003367900000000 ]  - [   0.0001742900000000, -0.0001249300000000,  0.0003771300000000 ]  - [   0.0004505700000000,  0.0001357100000000, -0.0002734500000000 ]  - [   0.0000252900000000, -0.0000223400000000, -0.0003420500000000 ]  - [  -0.0000064800000000,  0.0000273800000000, -0.0003419100000000 ]  - [   0.0000633200000000,  0.0001007800000000,  0.0004008100000000 ]  - [   0.0013719600000000, -0.0000922500000000,  0.0000751200000000 ]  - [  -0.0000136500000000,  0.0001544200000000, -0.0002224900000000 ]  - [   0.0001337400000000, -0.0000856300000000, -0.0002277400000000 ]  - [   0.0004679300000000,  0.0001180400000000,  0.0003489200000000 ]  - [   0.0009985900000000,  0.0008244000000000, -0.0001485600000000 ]  - [  -0.0001341700000000, -0.0000665700000000, -0.0002198400000000 ]  - [   0.0002347100000000,  0.0001411400000000, -0.0000882500000000 ]  - [   0.0001870400000000, -0.0001182000000000, -0.0001823800000000 ]  - [  -0.0001722100000000, -0.0000886100000000, -0.0000643900000000 ]  - [  -0.0001773000000000,  0.0001068500000000, -0.0000547300000000 ]  - [  -0.0000188300000000,  0.0002288800000000, -0.0001281400000000 ]  - [  -0.0000006000000000, -0.0002042100000000, -0.0000723600000000 ]  - [   0.0003032900000000,  0.0000078800000000, -0.0000909400000000 ]  - [   0.0000128900000000, -0.0000075800000000,  0.0003490100000000 ]  - [  -0.0000068100000000, -0.0000026400000000,  0.0003515400000000 ]  - [   0.0005919900000000,  0.0008504400000000, -0.0010699400000000 ]  - [   0.0007708800000000, -0.0001544800000000, -0.0006219500000000 ]  - [  -0.0000011200000000,  0.0000087100000000,  0.0003475700000000 ]  - [   0.0454386300000000,  0.0206626100000000, -0.0280450400000000 ]  - [  -0.0016022900000000,  0.0000913400000000, -0.0001808600000000 ]  - [   0.0000671000000000,  0.0000017900000000, -0.0000710800000000 ]  - [   0.0001086700000000,  0.0003256300000000, -0.0003165300000000 ]  - [   0.0000644000000000, -0.0000398700000000,  0.0003465400000000 ]  - [   0.0000779300000000,  0.0000136200000000,  0.0000502100000000 ]- atom:   13  displacement:    [  -0.0100000000000000,  0.0000000000000000,  0.0000000000000000 ]  forces:  - [  -0.0090839600000000, -0.0037629800000000, -0.0001950300000000 ]  - [  -0.0005689800000000,  0.0007375900000000, -0.0010028400000000 ]  - [   0.0010552800000000,  0.0002868700000000,  0.0004357600000000 ]  - [   0.0000430000000000,  0.0000147600000000, -0.0005769300000000 ]  - [   0.0000147900000000, -0.0000032800000000,  0.0004422500000000 ]  - [   0.0015537900000000,  0.0004292400000000, -0.0012233100000000 ]  - [   0.0000123000000000,  0.0000520500000000,  0.0002560300000000 ]  - [  -0.0001708800000000, -0.0000694500000000, -0.0001777800000000 ]  - [  -0.0002262800000000,  0.0000290600000000, -0.0002586400000000 ]  - [   0.0000895400000000,  0.0000758900000000,  0.0001768200000000 ]  - [  -0.0001033700000000,  0.0000915300000000,  0.0002445300000000 ]  - [  -0.0008707400000000, -0.0003566900000000, -0.0001322400000000 ]  - [   0.0681362600000000,  0.0304356900000000, -0.0309078800000000 ]  - [   0.0012913100000000,  0.0011783900000000, -0.0021522900000000 ]  - [  -0.0018637800000000, -0.0014086000000000,  0.0020506900000000 ]  - [  -0.0087572000000000, -0.0015658800000000,  0.0003573000000000 ]  - [  -0.0008679800000000,  0.0000785300000000,  0.0035569700000000 ]  - [  -0.0009768900000000, -0.0028659000000000,  0.0003014900000000 ]  - [   0.0000860600000000,  0.0000203400000000, -0.0002870400000000 ]  - [   0.0017631900000000, -0.0001220300000000, -0.0000098600000000 ]  - [  -0.0005811000000000, -0.0004103900000000, -0.0013743000000000 ]  - [   0.0001782900000000, -0.0001385200000000, -0.0005046100000000 ]  - [   0.0000397500000000, -0.0002101400000000, -0.0002430000000000 ]  - [   0.0002641100000000,  0.0010043000000000, -0.0003878600000000 ]  - [   0.0000222500000000, -0.0001254800000000,  0.0002473900000000 ]  - [   0.0000458900000000,  0.0002577900000000, -0.0003513900000000 ]  - [   0.0002023300000000, -0.0000356700000000, -0.0003288800000000 ]  - [   0.0001543700000000,  0.0000811900000000,  0.0002784000000000 ]  - [  -0.0000889100000000,  0.0000632300000000,  0.0002204100000000 ]  - [  -0.0001000800000000,  0.0000169500000000, -0.0002796000000000 ]  - [   0.0001294700000000,  0.0000647700000000, -0.0001709100000000 ]  - [   0.0001442300000000, -0.0000816800000000, -0.0000374700000000 ]  - [  -0.0001395900000000, -0.0000802500000000, -0.0000285300000000 ]  - [  -0.0001943400000000,  0.0001058800000000, -0.0000221400000000 ]  - [   0.0000011500000000,  0.0001591000000000, -0.0000302900000000 ]  - [   0.0000024500000000, -0.0002150100000000, -0.0000469000000000 ]  - [  -0.0000100400000000, -0.0000074800000000, -0.0003511400000000 ]  - [  -0.0001833000000000,  0.0001287000000000,  0.0004365300000000 ]  - [  -0.0004424600000000, -0.0001308000000000,  0.0010741300000000 ]  - [  -0.0000205100000000,  0.0000193700000000, -0.0003461500000000 ]  - [   0.0000075500000000, -0.0000198100000000, -0.0003432000000000 ]  - [  -0.0000669300000000, -0.0001091000000000,  0.0004101900000000 ]  - [  -0.0013473300000000, -0.0002127500000000,  0.0003338500000000 ]  - [   0.0000090100000000,  0.0001491000000000, -0.0001882900000000 ]  - [   0.0001374500000000, -0.0000709600000000, -0.0001845700000000 ]  - [  -0.0002051600000000,  0.0000280500000000,  0.0000608600000000 ]  - [  -0.0012567900000000, -0.0006482600000000,  0.0005582000000000 ]  - [  -0.0001302200000000, -0.0000808000000000, -0.0001900300000000 ]  - [   0.0001105500000000,  0.0000542200000000,  0.0000645400000000 ]  - [   0.0001659000000000, -0.0000874200000000,  0.0002060900000000 ]  - [  -0.0001749900000000, -0.0001075900000000,  0.0000878600000000 ]  - [  -0.0001761600000000,  0.0000974200000000,  0.0000299100000000 ]  - [   0.0000137800000000,  0.0001672000000000,  0.0001496500000000 ]  - [   0.0000038800000000, -0.0001930300000000,  0.0000504600000000 ]  - [  -0.0002998000000000, -0.0000061500000000, -0.0006263200000000 ]  - [  -0.0000111300000000,  0.0000060900000000,  0.0003684900000000 ]  - [   0.0000007700000000,  0.0000018500000000,  0.0003650700000000 ]  - [  -0.0005875000000000, -0.0008376800000000,  0.0003462500000000 ]  - [  -0.0007750000000000,  0.0001426500000000, -0.0000818600000000 ]  - [  -0.0000014200000000, -0.0000047500000000,  0.0003659600000000 ]  - [  -0.0466714800000000, -0.0216265200000000,  0.0294004600000000 ]  - [   0.0015921600000000, -0.0000846900000000,  0.0001831500000000 ]  - [  -0.0000635900000000, -0.0000032200000000,  0.0000721200000000 ]  - [  -0.0001073900000000, -0.0003242500000000,  0.0003133100000000 ]  - [  -0.0000643900000000,  0.0000413700000000, -0.0003447800000000 ]  - [  -0.0000811600000000, -0.0000119600000000, -0.0000590200000000 ]- atom:   13  displacement:    [   0.0000000000000000,  0.0000000000000000,  0.0100000000000000 ]  forces:  - [  -0.0022908500000000, -0.0013226200000000, -0.0051118800000000 ]  - [   0.0009754100000000,  0.0005631600000000, -0.0035756500000000 ]  - [   0.0000039600000000,  0.0000022900000000,  0.0002128800000000 ]  - [  -0.0000009400000000, -0.0000005400000000, -0.0015492600000000 ]  - [  -0.0000649200000000, -0.0000374800000000, -0.0006936900000000 ]  - [   0.0003147700000000,  0.0001817300000000, -0.0004109900000000 ]  - [   0.0000743600000000,  0.0000916200000000,  0.0003710800000000 ]  - [  -0.0000257900000000,  0.0002650500000000, -0.0004780700000000 ]  - [   0.0002166500000000, -0.0001548600000000, -0.0004780700000000 ]  - [   0.0002433400000000,  0.0001404900000000,  0.0002769800000000 ]  - [   0.0001165200000000,  0.0000185900000000,  0.0003710800000000 ]  - [   0.0000296200000000,  0.0000171000000000, -0.0002983300000000 ]  - [   0.0310887100000000,  0.0179490700000000, -0.0446227900000000 ]  - [  -0.0019625700000000, -0.0054827300000000,  0.0071181300000000 ]  - [  -0.0022246400000000, -0.0012844000000000,  0.0006276200000000 ]  - [   0.0002167700000000, -0.0000348400000000, -0.0022141200000000 ]  - [  -0.0057294700000000,  0.0010417300000000,  0.0071181300000000 ]  - [   0.0000782100000000,  0.0002051500000000, -0.0022141200000000 ]  - [   0.0000907900000000,  0.0000524200000000, -0.0002911200000000 ]  - [  -0.0000728100000000,  0.0008942900000000,  0.0017177700000000 ]  - [   0.0039705100000000,  0.0022923700000000,  0.0054014800000000 ]  - [  -0.0004968100000000,  0.0001645600000000,  0.0001453900000000 ]  - [  -0.0001058900000000, -0.0005125300000000,  0.0001453900000000 ]  - [   0.0007380700000000, -0.0005102000000000,  0.0017177700000000 ]  - [   0.0000039900000000, -0.0003484900000000,  0.0007837900000000 ]  - [   0.0001031800000000,  0.0002700800000000, -0.0003459200000000 ]  - [   0.0002854900000000, -0.0000456900000000, -0.0003459200000000 ]  - [   0.0002254300000000,  0.0001301500000000,  0.0006745500000000 ]  - [  -0.0002998000000000,  0.0001777000000000,  0.0007837900000000 ]  - [   0.0000975500000000,  0.0000563200000000, -0.0001946300000000 ]  - [   0.0001156800000000,  0.0000667900000000,  0.0003670100000000 ]  - [   0.0001409100000000, -0.0000916300000000,  0.0003612800000000 ]  - [  -0.0001488300000000, -0.0000859200000000,  0.0003432100000000 ]  - [  -0.0001517900000000,  0.0000667400000000,  0.0002999300000000 ]  - [  -0.0000089100000000,  0.0001678500000000,  0.0003612800000000 ]  - [  -0.0000181000000000, -0.0001648200000000,  0.0002999300000000 ]  - [   0.0001512600000000,  0.0000873300000000, -0.0002099600000000 ]  - [   0.0002126600000000,  0.0000443800000000,  0.0006800200000000 ]  - [  -0.0002874900000000, -0.0001659800000000,  0.0005730000000000 ]  - [  -0.0001465100000000,  0.0000749700000000, -0.0002167500000000 ]  - [  -0.0000083300000000, -0.0001643600000000, -0.0002167500000000 ]  - [   0.0001447600000000,  0.0001619800000000,  0.0006800200000000 ]  - [  -0.0007139600000000, -0.0003042100000000,  0.0001807600000000 ]  - [  -0.0000160000000000, -0.0000614500000000,  0.0002351700000000 ]  - [  -0.0000612200000000,  0.0000168700000000,  0.0002351700000000 ]  - [  -0.0002415500000000, -0.0001394600000000, -0.0001686400000000 ]  - [  -0.0006204400000000, -0.0004662000000000,  0.0001807600000000 ]  - [   0.0000528900000000,  0.0000305400000000,  0.0002657200000000 ]  - [   0.0003290900000000,  0.0001900000000000,  0.0003729600000000 ]  - [   0.0003687400000000, -0.0001507000000000,  0.0001025600000000 ]  - [  -0.0002498800000000, -0.0001442700000000,  0.0000933000000000 ]  - [  -0.0001821000000000,  0.0001357800000000,  0.0003058900000000 ]  - [   0.0000538600000000,  0.0003946800000000,  0.0001025600000000 ]  - [   0.0000265400000000, -0.0002256000000000,  0.0003058900000000 ]  - [  -0.0001626800000000, -0.0000939200000000, -0.0002380600000000 ]  - [  -0.0001634700000000,  0.0000953400000000,  0.0004757700000000 ]  - [   0.0002027800000000,  0.0001170700000000,  0.0005031900000000 ]  - [   0.0000320700000000, -0.0004282400000000,  0.0001929800000000 ]  - [  -0.0003548300000000,  0.0002418900000000,  0.0001929800000000 ]  - [   0.0000008400000000, -0.0001892400000000,  0.0004757700000000 ]  - [  -0.0235390600000000, -0.0135902800000000,  0.0320202000000000 ]  - [   0.0003873500000000,  0.0002236400000000,  0.0003473900000000 ]  - [   0.0000878900000000,  0.0000507400000000, -0.0014783700000000 ]  - [  -0.0006921700000000, -0.0003996300000000,  0.0000992700000000 ]  - [  -0.0002579200000000, -0.0001489100000000, -0.0008749200000000 ]  - [   0.0001190800000000,  0.0000687500000000, -0.0018917900000000 ]- atom:   13  displacement:    [   0.0000000000000000,  0.0000000000000000, -0.0100000000000000 ]  forces:  - [   0.0023207300000000,  0.0013398800000000,  0.0062353700000000 ]  - [  -0.0009713200000000, -0.0005607900000000,  0.0024356800000000 ]  - [   0.0000127000000000,  0.0000073400000000,  0.0009356500000000 ]  - [   0.0000009500000000,  0.0000005500000000,  0.0004793400000000 ]  - [   0.0000673600000000,  0.0000388900000000,  0.0017493300000000 ]  - [  -0.0003105000000000, -0.0001792700000000, -0.0006546600000000 ]  - [  -0.0000718000000000, -0.0003679500000000,  0.0001033900000000 ]  - [   0.0000215300000000, -0.0000181000000000,  0.0000173200000000 ]  - [  -0.0000049100000000,  0.0000277000000000,  0.0000173200000000 ]  - [  -0.0000087500000000, -0.0000050500000000,  0.0001957100000000 ]  - [  -0.0003545600000000,  0.0001218000000000,  0.0001033900000000 ]  - [  -0.0002487600000000, -0.0001436200000000, -0.0001699400000000 ]  - [  -0.0296307400000000, -0.0171073200000000,  0.0439434500000000 ]  - [   0.0023459900000000,  0.0051384700000000, -0.0069614900000000 ]  - [   0.0018564500000000,  0.0010718200000000, -0.0006174900000000 ]  - [  -0.0004645800000000,  0.0002213300000000,  0.0022763500000000 ]  - [   0.0056230500000000, -0.0005375500000000, -0.0069614900000000 ]  - [  -0.0000406100000000, -0.0005130100000000,  0.0022763500000000 ]  - [  -0.0000856200000000, -0.0000494300000000, -0.0005177600000000 ]  - [   0.0000808800000000, -0.0009351000000000, -0.0010833900000000 ]  - [  -0.0040590000000000, -0.0023434700000000, -0.0048034600000000 ]  - [   0.0004910400000000, -0.0001617000000000, -0.0009505500000000 ]  - [   0.0001054900000000,  0.0005061000000000, -0.0009505500000000 ]  - [  -0.0007693800000000,  0.0005375900000000, -0.0010833900000000 ]  - [  -0.0000019800000000,  0.0000972000000000, -0.0003196700000000 ]  - [  -0.0001048800000000,  0.0000098500000000, -0.0001320600000000 ]  - [  -0.0000439100000000, -0.0000957600000000, -0.0001320600000000 ]  - [  -0.0000107000000000, -0.0000061800000000, -0.0002088000000000 ]  - [   0.0000831900000000, -0.0000503100000000, -0.0003196700000000 ]  - [  -0.0003323100000000, -0.0001918600000000, -0.0002806200000000 ]  - [   0.0002606100000000,  0.0001504600000000, -0.0003949300000000 ]  - [   0.0001524100000000, -0.0000813400000000, -0.0004272100000000 ]  - [  -0.0001440700000000, -0.0000831800000000, -0.0004074500000000 ]  - [  -0.0002280600000000,  0.0001552600000000, -0.0003263700000000 ]  - [   0.0000057600000000,  0.0001726600000000, -0.0004272100000000 ]  - [   0.0000204300000000, -0.0002751400000000, -0.0003263700000000 ]  - [  -0.0001439700000000, -0.0000831200000000, -0.0004724300000000 ]  - [  -0.0002084600000000, -0.0000477100000000,  0.0001296200000000 ]  - [   0.0002760600000000,  0.0001593800000000,  0.0002435000000000 ]  - [   0.0001392700000000, -0.0000696200000000, -0.0004637700000000 ]  - [   0.0000093500000000,  0.0001554200000000, -0.0004637700000000 ]  - [  -0.0001455500000000, -0.0001566800000000,  0.0001296200000000 ]  - [   0.0007185500000000, -0.0000156100000000,  0.0002466600000000 ]  - [   0.0000143000000000,  0.0003785900000000, -0.0006543100000000 ]  - [   0.0003350100000000, -0.0001769100000000, -0.0006543100000000 ]  - [   0.0005099600000000,  0.0002944200000000,  0.0005881400000000 ]  - [   0.0003457600000000,  0.0006300900000000,  0.0002466600000000 ]  - [  -0.0003217400000000, -0.0001857600000000, -0.0006834300000000 ]  - [   0.0000083900000000,  0.0000048400000000, -0.0003890000000000 ]  - [  -0.0000284900000000, -0.0000495100000000, -0.0000844000000000 ]  - [  -0.0000894700000000, -0.0000516500000000, -0.0000746800000000 ]  - [  -0.0001606900000000,  0.0000644300000000, -0.0003204200000000 ]  - [  -0.0000571200000000,  0.0000000800000000, -0.0000844000000000 ]  - [  -0.0000245500000000, -0.0001713800000000, -0.0003204200000000 ]  - [   0.0001801600000000,  0.0001040200000000, -0.0004704500000000 ]  - [   0.0001802800000000, -0.0001062200000000,  0.0002329600000000 ]  - [  -0.0002219300000000, -0.0001281300000000,  0.0002062500000000 ]  - [  -0.0000508700000000,  0.0004356200000000, -0.0008989800000000 ]  - [   0.0003518200000000, -0.0002618600000000, -0.0008989800000000 ]  - [  -0.0000018500000000,  0.0002092400000000,  0.0002329600000000 ]  - [   0.0224614500000000,  0.0129681200000000, -0.0314534100000000 ]  - [  -0.0003779000000000, -0.0002181800000000, -0.0003553700000000 ]  - [  -0.0000857600000000, -0.0000495100000000,  0.0014946400000000 ]  - [   0.0006876300000000,  0.0003970100000000, -0.0000905400000000 ]  - [   0.0002615700000000,  0.0001510200000000,  0.0008707900000000 ]  - [  -0.0001233300000000, -0.0000712100000000,  0.0018992000000000 ]- atom:   19  displacement:    [   0.0100000000000000,  0.0000000000000000,  0.0000000000000000 ]  forces:  - [   0.0001180300000000,  0.0000477800000000, -0.0001634100000000 ]  - [   0.0714829800000000,  0.0315135700000000,  0.0377571700000000 ]  - [  -0.0017767800000000, -0.0005704200000000,  0.0005141500000000 ]  - [  -0.0002179200000000, -0.0000871700000000, -0.0006237500000000 ]  - [   0.0000346300000000, -0.0001565000000000,  0.0001676500000000 ]  - [  -0.0002086000000000, -0.0001086800000000, -0.0008397300000000 ]  - [   0.0005062900000000,  0.0004578900000000, -0.0005769000000000 ]  - [   0.0000043800000000,  0.0001086600000000, -0.0001588200000000 ]  - [   0.0001029300000000, -0.0000539100000000, -0.0001562200000000 ]  - [   0.0010499600000000,  0.0006671400000000,  0.0005844300000000 ]  - [   0.0009472600000000, -0.0003474800000000, -0.0005541100000000 ]  - [  -0.0000651300000000, -0.0000369600000000, -0.0001544500000000 ]  - [   0.0000647600000000,  0.0000621100000000,  0.0001195000000000 ]  - [  -0.0015648100000000,  0.0000232000000000,  0.0000964900000000 ]  - [   0.0003818100000000,  0.0002973300000000,  0.0040217000000000 ]  - [  -0.0003305500000000, -0.0002037900000000,  0.0005273200000000 ]  - [  -0.0002540800000000, -0.0007745900000000,  0.0008428000000000 ]  - [  -0.0004086800000000, -0.0001771700000000,  0.0004215800000000 ]  - [  -0.0948567800000000, -0.0426904600000000, -0.0404832500000000 ]  - [  -0.0001253300000000,  0.0000664600000000,  0.0004445800000000 ]  - [   0.0000664000000000,  0.0000429800000000,  0.0003876100000000 ]  - [   0.0203794700000000, -0.0006253600000000,  0.0010467900000000 ]  - [   0.0011727000000000,  0.0117996300000000, -0.0028202600000000 ]  - [  -0.0000063300000000, -0.0001367400000000,  0.0004359500000000 ]  - [  -0.0001840200000000, -0.0002905700000000,  0.0004980200000000 ]  - [   0.0001672000000000,  0.0003725500000000, -0.0004596000000000 ]  - [   0.0003640500000000,  0.0000761600000000, -0.0004839400000000 ]  - [   0.0002713200000000,  0.0001536600000000,  0.0005426400000000 ]  - [  -0.0003546100000000, -0.0000116000000000,  0.0005104800000000 ]  - [  -0.0003779800000000, -0.0001351200000000, -0.0007714200000000 ]  - [   0.0004985100000000,  0.0001161900000000, -0.0001827200000000 ]  - [   0.0003355200000000, -0.0001305900000000, -0.0002424800000000 ]  - [   0.0002991700000000,  0.0000492700000000, -0.0003085500000000 ]  - [   0.0003992300000000,  0.0001615100000000, -0.0000515000000000 ]  - [   0.0001395400000000,  0.0003254600000000, -0.0000957800000000 ]  - [   0.0000755200000000, -0.0007785400000000, -0.0004067900000000 ]  - [   0.0000910200000000,  0.0000486500000000, -0.0003029100000000 ]  - [   0.0005422400000000, -0.0000648200000000,  0.0000243100000000 ]  - [   0.0008592800000000,  0.0005044600000000,  0.0010780200000000 ]  - [   0.0000285800000000, -0.0000139500000000, -0.0004128500000000 ]  - [   0.0000081800000000,  0.0000110100000000, -0.0003888700000000 ]  - [   0.0002257100000000,  0.0002469600000000,  0.0002043600000000 ]  - [   0.0000151000000000, -0.0001942500000000,  0.0002728500000000 ]  - [  -0.0002479200000000, -0.0005744800000000, -0.0000217800000000 ]  - [  -0.0005290200000000, -0.0002675500000000,  0.0005445100000000 ]  - [   0.0001763300000000,  0.0000967100000000,  0.0002904600000000 ]  - [  -0.0001585200000000,  0.0001028400000000,  0.0002693100000000 ]  - [  -0.0006477200000000, -0.0003957000000000, -0.0005636900000000 ]  - [   0.0001853300000000,  0.0001052300000000,  0.0001401600000000 ]  - [   0.0001931000000000, -0.0001050700000000,  0.0001799900000000 ]  - [  -0.0001813200000000, -0.0001031300000000,  0.0002201900000000 ]  - [  -0.0001579800000000,  0.0000984200000000,  0.0001351900000000 ]  - [   0.0000044100000000,  0.0002138600000000,  0.0001801400000000 ]  - [   0.0000079200000000, -0.0001735700000000,  0.0001277400000000 ]  - [   0.0000945700000000,  0.0000505400000000, -0.0004097900000000 ]  - [  -0.0001657900000000, -0.0000500200000000,  0.0004154500000000 ]  - [   0.0001239000000000,  0.0000792500000000,  0.0004535800000000 ]  - [   0.0000252500000000,  0.0000030600000000, -0.0003354500000000 ]  - [   0.0000213500000000,  0.0000138600000000, -0.0003325300000000 ]  - [  -0.0000968000000000,  0.0000079300000000,  0.0004168500000000 ]  - [   0.0032409700000000,  0.0015496600000000, -0.0021646200000000 ]  - [  -0.0000513800000000, -0.0000164200000000, -0.0002983800000000 ]  - [  -0.0011768900000000,  0.0005925700000000,  0.0011788200000000 ]  - [  -0.0017272300000000, -0.0015785500000000,  0.0017925700000000 ]  - [  -0.0000412600000000, -0.0000200800000000, -0.0006755900000000 ]  - [   0.0012085500000000,  0.0008066900000000, -0.0014032200000000 ]- atom:   19  displacement:    [  -0.0100000000000000,  0.0000000000000000,  0.0000000000000000 ]  forces:  - [  -0.0001159400000000, -0.0000494700000000,  0.0012295200000000 ]  - [  -0.0745612900000000, -0.0336325100000000, -0.0408890400000000 ]  - [   0.0017605900000000,  0.0005592600000000,  0.0006163500000000 ]  - [   0.0002111200000000,  0.0000862800000000, -0.0004584300000000 ]  - [  -0.0000293300000000,  0.0001571600000000,  0.0008739800000000 ]  - [   0.0002034700000000,  0.0001103900000000, -0.0002046000000000 ]  - [  -0.0004968800000000, -0.0007502700000000,  0.0010637600000000 ]  - [  -0.0000092600000000,  0.0001339200000000, -0.0003045900000000 ]  - [   0.0001131900000000, -0.0000709300000000, -0.0003066800000000 ]  - [  -0.0008106200000000, -0.0005369700000000, -0.0001131200000000 ]  - [  -0.0011612500000000,  0.0004651400000000,  0.0010112400000000 ]  - [  -0.0001466300000000, -0.0000797700000000, -0.0003080200000000 ]  - [   0.0002330400000000,  0.0001037400000000, -0.0000647100000000 ]  - [   0.0019484300000000, -0.0002394700000000, -0.0000491600000000 ]  - [  -0.0007767800000000, -0.0005217500000000, -0.0039990100000000 ]  - [   0.0000281400000000,  0.0003759000000000, -0.0004687100000000 ]  - [   0.0002507500000000,  0.0012080900000000, -0.0008098100000000 ]  - [   0.0004114900000000, -0.0001654800000000, -0.0003630600000000 ]  - [   0.0984999600000000,  0.0449929600000000,  0.0417958200000000 ]  - [   0.0001197300000000, -0.0000636700000000,  0.0002443000000000 ]  - [  -0.0000620900000000, -0.0000386000000000,  0.0003009400000000 ]  - [  -0.0209496900000000,  0.0005549200000000, -0.0019585600000000 ]  - [  -0.0011726800000000, -0.0118824300000000,  0.0019949700000000 ]  - [   0.0000045100000000,  0.0001289700000000,  0.0002498600000000 ]  - [   0.0001886800000000,  0.0000486200000000, -0.0000348100000000 ]  - [  -0.0001701500000000, -0.0001065900000000, -0.0000125400000000 ]  - [  -0.0001262300000000, -0.0002139000000000,  0.0000139400000000 ]  - [  -0.0000626200000000, -0.0000368300000000, -0.0000847900000000 ]  - [   0.0001416300000000,  0.0001373100000000, -0.0000517400000000 ]  - [   0.0001466000000000,  0.0000037700000000,  0.0003004900000000 ]  - [  -0.0001148700000000,  0.0000966600000000,  0.0001526300000000 ]  - [  -0.0000326300000000, -0.0000461600000000,  0.0001865700000000 ]  - [  -0.0005842300000000, -0.0002112000000000,  0.0002627700000000 ]  - [  -0.0007705800000000,  0.0000699500000000,  0.0000237500000000 ]  - [  -0.0001430100000000,  0.0000165900000000,  0.0000428000000000 ]  - [  -0.0000828600000000,  0.0003318400000000,  0.0003753400000000 ]  - [  -0.0000917800000000, -0.0000514000000000, -0.0003814400000000 ]  - [  -0.0005454100000000,  0.0000673200000000,  0.0007909400000000 ]  - [  -0.0008407700000000, -0.0004918600000000, -0.0002556500000000 ]  - [  -0.0000245600000000,  0.0000115300000000, -0.0002743200000000 ]  - [  -0.0000064500000000, -0.0000063000000000, -0.0002947000000000 ]  - [  -0.0002264900000000, -0.0002514500000000,  0.0006077000000000 ]  - [  -0.0000109600000000, -0.0001097800000000,  0.0001377600000000 ]  - [   0.0002467900000000,  0.0008902600000000, -0.0004070700000000 ]  - [   0.0007936600000000,  0.0001188600000000, -0.0009688200000000 ]  - [   0.0000876400000000,  0.0000502500000000,  0.0001193300000000 ]  - [  -0.0001137000000000,  0.0000536400000000,  0.0001429100000000 ]  - [   0.0003866000000000,  0.0002518800000000,  0.0001534300000000 ]  - [   0.0001598600000000,  0.0000893900000000, -0.0001629200000000 ]  - [   0.0001584700000000, -0.0000994200000000, -0.0001562000000000 ]  - [  -0.0001641700000000, -0.0000925700000000, -0.0001969900000000 ]  - [  -0.0001938500000000,  0.0001049000000000, -0.0001586200000000 ]  - [  -0.0000085900000000,  0.0001818900000000, -0.0001588000000000 ]  - [  -0.0000040000000000, -0.0002233900000000, -0.0001481600000000 ]  - [  -0.0000883300000000, -0.0000496100000000, -0.0003067300000000 ]  - [   0.0001691400000000,  0.0000471900000000,  0.0003015400000000 ]  - [  -0.0001311900000000, -0.0000808100000000,  0.0002624000000000 ]  - [  -0.0000279000000000, -0.0000017100000000, -0.0003820000000000 ]  - [  -0.0000194400000000, -0.0000185500000000, -0.0003811400000000 ]  - [   0.0000936900000000, -0.0000054300000000,  0.0002972800000000 ]  - [  -0.0032278200000000, -0.0015407200000000,  0.0021467900000000 ]  - [   0.0000546200000000,  0.0000136600000000,  0.0003046100000000 ]  - [   0.0011545100000000, -0.0005840800000000, -0.0011785600000000 ]  - [   0.0017108300000000,  0.0016004100000000, -0.0017983700000000 ]  - [   0.0000413900000000,  0.0000208300000000,  0.0006754000000000 ]  - [  -0.0012134900000000, -0.0008303600000000,  0.0014127800000000 ]- atom:   19  displacement:    [   0.0000000000000000,  0.0000000000000000,  0.0100000000000000 ]  forces:  - [   0.0001223100000000,  0.0000706100000000, -0.0000880500000000 ]  - [   0.0420931000000000,  0.0243024600000000,  0.0484632000000000 ]  - [  -0.0016950100000000, -0.0009786100000000,  0.0011151700000000 ]  - [   0.0001245600000000,  0.0000719200000000, -0.0005189300000000 ]  - [  -0.0000578200000000, -0.0000333800000000,  0.0001843800000000 ]  - [  -0.0001954200000000, -0.0001128300000000, -0.0006725000000000 ]  - [   0.0002304800000000,  0.0003561500000000, -0.0004184400000000 ]  - [   0.0000051800000000,  0.0001548300000000, -0.0002245800000000 ]  - [   0.0001366800000000, -0.0000729300000000, -0.0002245800000000 ]  - [   0.0006539800000000,  0.0003775800000000,  0.0002910500000000 ]  - [   0.0004236800000000,  0.0000215200000000, -0.0004184400000000 ]  - [  -0.0001045800000000, -0.0000603800000000, -0.0002219100000000 ]  - [   0.0000294000000000,  0.0000169700000000,  0.0001448100000000 ]  - [  -0.0001679800000000,  0.0005139000000000,  0.0013883300000000 ]  - [   0.0015194900000000,  0.0008772800000000,  0.0051108900000000 ]  - [  -0.0002474500000000, -0.0001568200000000,  0.0005802600000000 ]  - [   0.0003610600000000, -0.0004024200000000,  0.0013883300000000 ]  - [  -0.0002595400000000, -0.0001358900000000,  0.0005802600000000 ]  - [  -0.0406654900000000, -0.0234782300000000, -0.0413860000000000 ]  - [  -0.0001002000000000,  0.0000491400000000,  0.0004387000000000 ]  - [   0.0000430600000000,  0.0000248600000000,  0.0003902200000000 ]  - [  -0.0014571600000000, -0.0036297200000000, -0.0085395000000000 ]  - [  -0.0038720100000000,  0.0005529200000000, -0.0085395000000000 ]  - [  -0.0000075400000000, -0.0001113400000000,  0.0004387000000000 ]  - [  -0.0000637600000000, -0.0001951900000000,  0.0003703500000000 ]  - [   0.0001394500000000,  0.0002789100000000, -0.0005167900000000 ]  - [   0.0003112700000000, -0.0000186900000000, -0.0005167900000000 ]  - [   0.0001849900000000,  0.0001068000000000,  0.0003456900000000 ]  - [  -0.0002009200000000,  0.0000423800000000,  0.0003703500000000 ]  - [  -0.0003208000000000, -0.0001852100000000, -0.0006874800000000 ]  - [   0.0004607000000000,  0.0002659900000000,  0.0001011000000000 ]  - [   0.0001794700000000, -0.0000765600000000,  0.0002430200000000 ]  - [  -0.0008308900000000, -0.0004797100000000,  0.0001315800000000 ]  - [   0.0005209000000000,  0.0002143700000000,  0.0005324700000000 ]  - [   0.0000234300000000,  0.0001937000000000,  0.0002430200000000 ]  - [   0.0004461000000000,  0.0003439300000000,  0.0005324700000000 ]  - [  -0.0000515000000000, -0.0000297300000000, -0.0004276800000000 ]  - [   0.0003810600000000, -0.0000116100000000,  0.0001366000000000 ]  - [   0.0006610300000000,  0.0003816500000000,  0.0012433400000000 ]  - [  -0.0000234900000000,  0.0000152600000000, -0.0003445800000000 ]  - [   0.0000014700000000, -0.0000279800000000, -0.0003445800000000 ]  - [   0.0001804800000000,  0.0003358200000000,  0.0001366000000000 ]  - [   0.0000140000000000, -0.0001572800000000,  0.0001762900000000 ]  - [  -0.0005835100000000,  0.0003127700000000,  0.0010588900000000 ]  - [  -0.0000208900000000, -0.0006617200000000,  0.0010588900000000 ]  - [   0.0001531000000000,  0.0000883900000000,  0.0002015700000000 ]  - [  -0.0001292000000000,  0.0000907700000000,  0.0001762900000000 ]  - [  -0.0001820700000000, -0.0001051200000000, -0.0002448100000000 ]  - [   0.0001809600000000,  0.0001044800000000,  0.0001233800000000 ]  - [   0.0001851800000000, -0.0001074800000000,  0.0001293800000000 ]  - [  -0.0001807400000000, -0.0001043500000000,  0.0001569500000000 ]  - [  -0.0001772800000000,  0.0001020700000000,  0.0001159000000000 ]  - [  -0.0000004900000000,  0.0002141100000000,  0.0001293800000000 ]  - [  -0.0000002400000000, -0.0002045600000000,  0.0001159000000000 ]  - [   0.0000455500000000,  0.0000263000000000, -0.0004404300000000 ]  - [  -0.0000526600000000,  0.0000327300000000,  0.0003362000000000 ]  - [   0.0000901400000000,  0.0000520400000000,  0.0003897000000000 ]  - [   0.0000643000000000, -0.0000110500000000, -0.0003583200000000 ]  - [   0.0000225800000000,  0.0000612100000000, -0.0003583200000000 ]  - [   0.0000020100000000, -0.0000619700000000,  0.0003362000000000 ]  - [   0.0028610800000000,  0.0016518400000000, -0.0024274700000000 ]  - [  -0.0000538600000000, -0.0000311000000000,  0.0000242200000000 ]  - [  -0.0002751200000000, -0.0001588400000000, -0.0023064900000000 ]  - [  -0.0011130800000000, -0.0006426400000000,  0.0017071700000000 ]  - [   0.0000056200000000,  0.0000032400000000, -0.0004784000000000 ]  - [   0.0002328500000000,  0.0001344400000000, -0.0004326200000000 ]- atom:   19  displacement:    [   0.0000000000000000,  0.0000000000000000, -0.0100000000000000 ]  forces:  - [  -0.0001220500000000, -0.0000704600000000,  0.0011551600000000 ]  - [  -0.0431221600000000, -0.0248965900000000, -0.0497628800000000 ]  - [   0.0017168000000000,  0.0009912000000000,  0.0000518200000000 ]  - [  -0.0001239900000000, -0.0000715900000000, -0.0005513300000000 ]  - [   0.0000597800000000,  0.0000345100000000,  0.0008627400000000 ]  - [   0.0001924700000000,  0.0001111200000000, -0.0003810800000000 ]  - [  -0.0002219900000000, -0.0006387600000000,  0.0008901900000000 ]  - [  -0.0000076100000000,  0.0000966900000000, -0.0002427400000000 ]  - [   0.0000799300000000, -0.0000549300000000, -0.0002427400000000 ]  - [  -0.0004164000000000, -0.0002404100000000,  0.0001824700000000 ]  - [  -0.0006641800000000,  0.0001271300000000,  0.0008901900000000 ]  - [  -0.0001091100000000, -0.0000629900000000, -0.0002444800000000 ]  - [   0.0002643100000000,  0.0001526000000000, -0.0000815800000000 ]  - [   0.0005379800000000, -0.0007639600000000, -0.0014131400000000 ]  - [  -0.0019084800000000, -0.0011018600000000, -0.0050934900000000 ]  - [  -0.0000485200000000,  0.0003277500000000, -0.0005154900000000 ]  - [  -0.0003926200000000,  0.0008478800000000, -0.0014131400000000 ]  - [   0.0002595800000000, -0.0002059000000000, -0.0005154900000000 ]  - [   0.0415909900000000,  0.0240125700000000,  0.0407837000000000 ]  - [   0.0001068300000000, -0.0000540100000000,  0.0002411500000000 ]  - [  -0.0000502300000000, -0.0000290000000000,  0.0002912400000000 ]  - [   0.0015415800000000,  0.0036693500000000,  0.0077618500000000 ]  - [   0.0039485300000000, -0.0004996300000000,  0.0077618500000000 ]  - [   0.0000066400000000,  0.0001195200000000,  0.0002411500000000 ]  - [   0.0000640300000000, -0.0000591000000000,  0.0001000100000000 ]  - [  -0.0001408200000000,  0.0000007000000000,  0.0000380200000000 ]  - [  -0.0000698000000000, -0.0001223000000000,  0.0000380200000000 ]  - [   0.0000312200000000,  0.0000180300000000,  0.0001229200000000 ]  - [  -0.0000191600000000,  0.0000850000000000,  0.0001000100000000 ]  - [   0.0000854100000000,  0.0000493100000000,  0.0002094300000000 ]  - [  -0.0000812800000000, -0.0000469300000000, -0.0001308200000000 ]  - [   0.0001129500000000, -0.0000959600000000, -0.0003073700000000 ]  - [   0.0005237000000000,  0.0003023600000000, -0.0001978400000000 ]  - [  -0.0008884700000000,  0.0000165300000000, -0.0005590800000000 ]  - [  -0.0000266300000000,  0.0001458000000000, -0.0003073700000000 ]  - [  -0.0004299200000000, -0.0007777000000000, -0.0005590800000000 ]  - [   0.0000585700000000,  0.0000338100000000, -0.0002563600000000 ]  - [  -0.0003787400000000,  0.0000075400000000,  0.0006676000000000 ]  - [  -0.0006794800000000, -0.0003923000000000, -0.0004544400000000 ]  - [   0.0000161200000000, -0.0000099500000000, -0.0003366400000000 ]  - [  -0.0000005500000000,  0.0000189400000000, -0.0003366400000000 ]  - [  -0.0001828400000000, -0.0003317700000000,  0.0006676000000000 ]  - [  -0.0000121700000000, -0.0001587700000000,  0.0002416900000000 ]  - [   0.0005622600000000,  0.0000112900000000, -0.0014326300000000 ]  - [   0.0002909100000000,  0.0004812800000000, -0.0014326300000000 ]  - [   0.0001142500000000,  0.0000659600000000,  0.0002140800000000 ]  - [  -0.0001435900000000,  0.0000688400000000,  0.0002416900000000 ]  - [  -0.0000872800000000, -0.0000503900000000, -0.0001731200000000 ]  - [   0.0001595700000000,  0.0000921300000000, -0.0001387500000000 ]  - [   0.0001582900000000, -0.0000934000000000, -0.0001133600000000 ]  - [  -0.0001598500000000, -0.0000922900000000, -0.0001399200000000 ]  - [  -0.0001659600000000,  0.0000987800000000, -0.0001307500000000 ]  - [  -0.0000017400000000,  0.0001837900000000, -0.0001133600000000 ]  - [   0.0000025600000000, -0.0001931100000000, -0.0001307500000000 ]  - [  -0.0000260900000000, -0.0000150700000000, -0.0002691100000000 ]  - [   0.0000681300000000, -0.0000434700000000,  0.0003714900000000 ]  - [  -0.0001078100000000, -0.0000622500000000,  0.0003198200000000 ]  - [  -0.0000809300000000,  0.0000216700000000, -0.0003503200000000 ]  - [  -0.0000217000000000, -0.0000809200000000, -0.0003503200000000 ]  - [  -0.0000035800000000,  0.0000807400000000,  0.0003714900000000 ]  - [  -0.0028526300000000, -0.0016469700000000,  0.0024061400000000 ]  - [   0.0000562900000000,  0.0000325000000000, -0.0000252800000000 ]  - [   0.0002663000000000,  0.0001537500000000,  0.0022918600000000 ]  - [   0.0011048600000000,  0.0006378900000000, -0.0016999900000000 ]  - [  -0.0000060500000000, -0.0000035000000000,  0.0004717700000000 ]  - [  -0.0002264000000000, -0.0001307100000000,  0.0004163200000000 ]- atom:   61  displacement:    [   0.0100000000000000,  0.0000000000000000,  0.0000000000000000 ]  forces:  - [  -0.0142337700000000,  0.0000106800000000,  0.0006048600000000 ]  - [  -0.0142337700000000, -0.0000106800000000, -0.0006048600000000 ]  - [   0.0053570900000000,  0.0000035100000000,  0.0005612700000000 ]  - [   0.0001076600000000,  0.0000011300000000, -0.0005302900000000 ]  - [   0.0001076600000000, -0.0000011300000000,  0.0005302900000000 ]  - [   0.0053570900000000, -0.0000035100000000, -0.0005612700000000 ]  - [  -0.0004860700000000, -0.0001274000000000,  0.0002345100000000 ]  - [  -0.0004860700000000,  0.0001274000000000, -0.0002345100000000 ]  - [  -0.0011236200000000,  0.0003688400000000, -0.0002854000000000 ]  - [  -0.0011236200000000, -0.0003688400000000,  0.0002854000000000 ]  - [  -0.0013522200000000,  0.0004993300000000,  0.0001821500000000 ]  - [  -0.0013522200000000, -0.0004993300000000, -0.0001821500000000 ]  - [   0.0468558900000000,  0.0216960600000000, -0.0236430200000000 ]  - [   0.0468558900000000, -0.0216960600000000,  0.0236430200000000 ]  - [   0.0452609200000000,  0.0205935000000000, -0.0223642200000000 ]  - [   0.0452609200000000, -0.0205935000000000,  0.0223642200000000 ]  - [   0.0094397200000000,  0.0000566800000000, -0.0001016900000000 ]  - [   0.0094397200000000, -0.0000566800000000,  0.0001016900000000 ]  - [   0.0032589500000000,  0.0015578200000000,  0.0024938800000000 ]  - [   0.0032589500000000, -0.0015578200000000, -0.0024938800000000 ]  - [   0.0032166200000000,  0.0015333600000000,  0.0032179300000000 ]  - [   0.0032166200000000, -0.0015333600000000, -0.0032179300000000 ]  - [   0.0005607100000000, -0.0000157600000000, -0.0003623000000000 ]  - [   0.0005607100000000,  0.0000157600000000,  0.0003623000000000 ]  - [   0.0000181500000000, -0.0001399600000000,  0.0002209500000000 ]  - [  -0.0008908800000000,  0.0001518100000000, -0.0002286700000000 ]  - [  -0.0011047100000000,  0.0001276600000000,  0.0002911300000000 ]  - [   0.0001280600000000,  0.0000620100000000,  0.0001954600000000 ]  - [  -0.0001186600000000,  0.0000775500000000,  0.0002462800000000 ]  - [  -0.0013654600000000, -0.0002698200000000, -0.0007416500000000 ]  - [   0.0002474300000000,  0.0000625900000000, -0.0002722200000000 ]  - [   0.0002270800000000, -0.0000935900000000, -0.0000992100000000 ]  - [  -0.0000935100000000, -0.0000895000000000,  0.0000743400000000 ]  - [  -0.0001155900000000,  0.0001452000000000,  0.0002472600000000 ]  - [   0.0000632600000000,  0.0001823100000000, -0.0000133000000000 ]  - [   0.0001374500000000, -0.0002067900000000, -0.0000107000000000 ]  - [  -0.0000343800000000, -0.0000181800000000, -0.0003424200000000 ]  - [  -0.0011494400000000, -0.0005945500000000,  0.0006481300000000 ]  - [  -0.0011800000000000,  0.0005822700000000,  0.0001060800000000 ]  - [  -0.0000472300000000,  0.0000244700000000, -0.0003537700000000 ]  - [  -0.0000038700000000, -0.0000070100000000, -0.0003464300000000 ]  - [  -0.0021836000000000,  0.0000138000000000,  0.0003744500000000 ]  - [  -0.0008908800000000, -0.0001518100000000,  0.0002286700000000 ]  - [   0.0000181500000000,  0.0001399600000000, -0.0002209500000000 ]  - [   0.0001280600000000, -0.0000620100000000, -0.0001954600000000 ]  - [  -0.0011047100000000, -0.0001276600000000, -0.0002911300000000 ]  - [  -0.0013654600000000,  0.0002698200000000,  0.0007416500000000 ]  - [  -0.0001186600000000, -0.0000775500000000, -0.0002462800000000 ]  - [   0.0002270800000000,  0.0000935900000000,  0.0000992100000000 ]  - [   0.0002474300000000, -0.0000625900000000,  0.0002722200000000 ]  - [  -0.0001155900000000, -0.0001452000000000, -0.0002472600000000 ]  - [  -0.0000935100000000,  0.0000895000000000, -0.0000743400000000 ]  - [   0.0001374500000000,  0.0002067900000000,  0.0000107000000000 ]  - [   0.0000632600000000, -0.0001823100000000,  0.0000133000000000 ]  - [  -0.0011494400000000,  0.0005945500000000, -0.0006481300000000 ]  - [  -0.0000343800000000,  0.0000181800000000,  0.0003424200000000 ]  - [  -0.0000472300000000, -0.0000244700000000,  0.0003537700000000 ]  - [  -0.0011800000000000, -0.0005822700000000, -0.0001060800000000 ]  - [  -0.0021836000000000, -0.0000138000000000, -0.0003744500000000 ]  - [  -0.0000038700000000,  0.0000070100000000,  0.0003464300000000 ]  - [  -0.1871326500000000,  0.0000000000000000,  0.0000000000000000 ]  - [   0.0049139300000000,  0.0000077300000000, -0.0000099800000000 ]  - [  -0.0007602800000000, -0.0000007000000000,  0.0000058300000000 ]  - [   0.0049139300000000, -0.0000077300000000,  0.0000099800000000 ]  - [  -0.0007602800000000,  0.0000007000000000, -0.0000058300000000 ]  - [   0.0000334000000000,  0.0000000000000000,  0.0000000000000000 ]- atom:   61  displacement:    [   0.0000000000000000,  0.0000000000000000,  0.0100000000000000 ]  forces:  - [   0.0000000000000000,  0.0000000000000000,  0.0214736400000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0204987000000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0027984300000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0038794000000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0049328700000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0017045600000000 ]  - [   0.0000000000000000, -0.0003054900000000,  0.0000977300000000 ]  - [   0.0000000000000000, -0.0000539400000000, -0.0003693800000000 ]  - [  -0.0000467200000000,  0.0000269700000000, -0.0003693800000000 ]  - [   0.0002645600000000,  0.0001527400000000,  0.0000977300000000 ]  - [  -0.0002645600000000,  0.0001527400000000,  0.0000977300000000 ]  - [   0.0000467200000000,  0.0000269700000000, -0.0003693800000000 ]  - [  -0.0280728200000000, -0.0162078500000000,  0.0314987300000000 ]  - [   0.0294082800000000, -0.0169788800000000,  0.0320196300000000 ]  - [  -0.0294082800000000, -0.0169788800000000,  0.0320196300000000 ]  - [   0.0280728200000000, -0.0162078500000000,  0.0314987300000000 ]  - [   0.0000000000000000,  0.0339577600000000,  0.0320196300000000 ]  - [   0.0000000000000000,  0.0324157100000000,  0.0314987300000000 ]  - [  -0.0021628300000000, -0.0012487100000000, -0.0028310200000000 ]  - [   0.0021514600000000, -0.0012421400000000, -0.0020694300000000 ]  - [  -0.0021514600000000, -0.0012421400000000, -0.0020694300000000 ]  - [   0.0021628300000000, -0.0012487100000000, -0.0028310200000000 ]  - [   0.0000000000000000,  0.0024974200000000, -0.0028310200000000 ]  - [   0.0000000000000000,  0.0024842900000000, -0.0020694300000000 ]  - [   0.0000000000000000,  0.0006084500000000, -0.0014016100000000 ]  - [   0.0000000000000000,  0.0001014100000000, -0.0000797400000000 ]  - [   0.0000878200000000, -0.0000507000000000, -0.0000797400000000 ]  - [  -0.0005269400000000, -0.0003042300000000, -0.0014016100000000 ]  - [   0.0005269400000000, -0.0003042300000000, -0.0014016100000000 ]  - [  -0.0000878200000000, -0.0000507000000000, -0.0000797400000000 ]  - [   0.0005395100000000,  0.0003114900000000, -0.0008910400000000 ]  - [   0.0002231100000000, -0.0001288100000000, -0.0015094800000000 ]  - [  -0.0002231100000000, -0.0001288100000000, -0.0015094800000000 ]  - [  -0.0005395100000000,  0.0003114900000000, -0.0008910400000000 ]  - [   0.0000000000000000,  0.0002576200000000, -0.0015094800000000 ]  - [   0.0000000000000000, -0.0006229700000000, -0.0008910400000000 ]  - [  -0.0006834400000000, -0.0003945900000000, -0.0008214200000000 ]  - [  -0.0011811100000000,  0.0006819200000000, -0.0018957200000000 ]  - [   0.0011811100000000,  0.0006819200000000, -0.0018957200000000 ]  - [   0.0006834400000000, -0.0003945900000000, -0.0008214200000000 ]  - [   0.0000000000000000,  0.0007891700000000, -0.0008214200000000 ]  - [   0.0000000000000000, -0.0013638300000000, -0.0018957200000000 ]  - [   0.0000000000000000, -0.0001817700000000,  0.0003601800000000 ]  - [   0.0000000000000000,  0.0008785400000000, -0.0018377200000000 ]  - [   0.0007608400000000, -0.0004392700000000, -0.0018377200000000 ]  - [   0.0001574200000000,  0.0000908800000000,  0.0003601800000000 ]  - [  -0.0001574200000000,  0.0000908800000000,  0.0003601800000000 ]  - [  -0.0007608400000000, -0.0004392700000000, -0.0018377200000000 ]  - [   0.0001030000000000,  0.0000594700000000, -0.0015019500000000 ]  - [  -0.0001704400000000,  0.0000984000000000, -0.0008594100000000 ]  - [   0.0001704400000000,  0.0000984000000000, -0.0008594100000000 ]  - [  -0.0001030000000000,  0.0000594700000000, -0.0015019500000000 ]  - [   0.0000000000000000, -0.0001968100000000, -0.0008594100000000 ]  - [   0.0000000000000000, -0.0001189400000000, -0.0015019500000000 ]  - [   0.0011830700000000,  0.0006830400000000, -0.0026550200000000 ]  - [   0.0006706800000000, -0.0003872200000000, -0.0001144400000000 ]  - [  -0.0006706800000000, -0.0003872200000000, -0.0001144400000000 ]  - [  -0.0011830700000000,  0.0006830400000000, -0.0026550200000000 ]  - [   0.0000000000000000, -0.0013660900000000, -0.0026550200000000 ]  - [   0.0000000000000000,  0.0007744400000000, -0.0001144400000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.2075926500000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0002095100000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0049852900000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0002008800000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0049913500000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0065012500000000 ]- atom:   62  displacement:    [   0.0100000000000000,  0.0000000000000000,  0.0000000000000000 ]  forces:  - [   0.0051278100000000, -0.0000119900000000,  0.0005300400000000 ]  - [   0.0002136200000000,  0.0000012400000000, -0.0005460500000000 ]  - [  -0.0033084400000000, -0.0000061900000000,  0.0005558400000000 ]  - [  -0.0033084400000000,  0.0000061900000000, -0.0005558400000000 ]  - [   0.0002136200000000, -0.0000012400000000,  0.0005460500000000 ]  - [   0.0051278100000000,  0.0000119900000000, -0.0005300400000000 ]  - [  -0.0002627600000000, -0.0001461700000000,  0.0002229200000000 ]  - [   0.0097027100000000,  0.0000015600000000, -0.0001234800000000 ]  - [   0.0441291500000000, -0.0199777700000000, -0.0281781500000000 ]  - [   0.0001580000000000,  0.0002412400000000,  0.0004149200000000 ]  - [  -0.0000994500000000, -0.0000959800000000,  0.0000309900000000 ]  - [   0.0425689200000000,  0.0188799600000000,  0.0263908300000000 ]  - [  -0.0014222200000000,  0.0001907000000000,  0.0003810800000000 ]  - [   0.0002923400000000, -0.0004296700000000,  0.0007016300000000 ]  - [  -0.0000773600000000,  0.0002192900000000, -0.0006781800000000 ]  - [  -0.0017717400000000,  0.0000134400000000, -0.0003830800000000 ]  - [  -0.0004545200000000,  0.0002100300000000,  0.0000099600000000 ]  - [  -0.0017505200000000, -0.0001976500000000,  0.0000063700000000 ]  - [  -0.0000471500000000, -0.0000127900000000, -0.0004346200000000 ]  - [  -0.0017146000000000,  0.0015890500000000,  0.0014593900000000 ]  - [  -0.0017251600000000, -0.0015898400000000, -0.0007615600000000 ]  - [  -0.0000579100000000,  0.0000176500000000, -0.0003263500000000 ]  - [  -0.0000261600000000, -0.0000057800000000, -0.0003788000000000 ]  - [   0.0010331100000000,  0.0000120900000000,  0.0003437100000000 ]  - [  -0.0001580000000000, -0.0001292600000000,  0.0002357000000000 ]  - [  -0.0001580000000000,  0.0001292600000000, -0.0002357000000000 ]  - [  -0.0008684500000000,  0.0004114600000000,  0.0001807600000000 ]  - [  -0.0008684500000000, -0.0004114600000000, -0.0001807600000000 ]  - [  -0.0011010800000000,  0.0005432000000000,  0.0006562700000000 ]  - [  -0.0011010800000000, -0.0005432000000000, -0.0006562700000000 ]  - [   0.0002505900000000,  0.0001107100000000,  0.0001311500000000 ]  - [   0.0002505900000000, -0.0001107100000000, -0.0001311500000000 ]  - [  -0.0000890500000000, -0.0000832400000000,  0.0001122900000000 ]  - [  -0.0000890500000000,  0.0000832400000000, -0.0001122900000000 ]  - [   0.0000570000000000,  0.0001930200000000, -0.0000101500000000 ]  - [   0.0000570000000000, -0.0001930200000000,  0.0000101500000000 ]  - [   0.0012182300000000,  0.0008212400000000, -0.0001414200000000 ]  - [   0.0012182300000000, -0.0008212400000000,  0.0001414200000000 ]  - [   0.0012072500000000,  0.0008174300000000,  0.0006009100000000 ]  - [   0.0012072500000000, -0.0008174300000000, -0.0006009100000000 ]  - [  -0.0002064100000000, -0.0000099200000000, -0.0003662700000000 ]  - [  -0.0002064100000000,  0.0000099200000000,  0.0003662700000000 ]  - [   0.0097027100000000, -0.0000015600000000,  0.0001234800000000 ]  - [  -0.0002627600000000,  0.0001461700000000, -0.0002229200000000 ]  - [   0.0001580000000000, -0.0002412400000000, -0.0004149200000000 ]  - [   0.0441291500000000,  0.0199777700000000,  0.0281781500000000 ]  - [   0.0425689200000000, -0.0188799600000000, -0.0263908300000000 ]  - [  -0.0000994500000000,  0.0000959800000000, -0.0000309900000000 ]  - [   0.0002923400000000,  0.0004296700000000, -0.0007016300000000 ]  - [  -0.0014222200000000, -0.0001907000000000, -0.0003810800000000 ]  - [  -0.0017717400000000, -0.0000134400000000,  0.0003830800000000 ]  - [  -0.0000773600000000, -0.0002192900000000,  0.0006781800000000 ]  - [  -0.0017505200000000,  0.0001976500000000, -0.0000063700000000 ]  - [  -0.0004545200000000, -0.0002100300000000, -0.0000099600000000 ]  - [  -0.0017146000000000, -0.0015890500000000, -0.0014593900000000 ]  - [  -0.0000471500000000,  0.0000127900000000,  0.0004346200000000 ]  - [  -0.0000579100000000, -0.0000176500000000,  0.0003263500000000 ]  - [  -0.0017251600000000,  0.0015898400000000,  0.0007615600000000 ]  - [   0.0010331100000000, -0.0000120900000000, -0.0003437100000000 ]  - [  -0.0000261600000000,  0.0000057800000000,  0.0003788000000000 ]  - [   0.0049248500000000, -0.0000050900000000,  0.0000200200000000 ]  - [  -0.1957669000000000,  0.0000000000000000,  0.0000000000000000 ]  - [   0.0000494100000000,  0.0000000000000000,  0.0000000000000000 ]  - [   0.0021161600000000,  0.0000024800000000,  0.0000020000000000 ]  - [   0.0049248500000000,  0.0000050900000000, -0.0000200200000000 ]  - [   0.0021161600000000, -0.0000024800000000, -0.0000020000000000 ]- atom:   62  displacement:    [   0.0000000000000000,  0.0000000000000000,  0.0100000000000000 ]  forces:  - [   0.0000000000000000,  0.0000000000000000, -0.0091665300000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0010666200000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0066891600000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0055629100000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0021616500000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0102397100000000 ]  - [   0.0000000000000000,  0.0004088400000000, -0.0007035500000000 ]  - [   0.0000000000000000, -0.0311556400000000,  0.0327926400000000 ]  - [  -0.0269815700000000,  0.0155778200000000,  0.0327926400000000 ]  - [  -0.0003540600000000, -0.0002044200000000, -0.0007035500000000 ]  - [   0.0003540600000000, -0.0002044200000000, -0.0007035500000000 ]  - [   0.0269815700000000,  0.0155778200000000,  0.0327926400000000 ]  - [  -0.0000174700000000, -0.0000100900000000,  0.0003605400000000 ]  - [   0.0005129800000000, -0.0002961700000000,  0.0001195900000000 ]  - [  -0.0005129800000000, -0.0002961700000000,  0.0001195900000000 ]  - [   0.0000174700000000, -0.0000100900000000,  0.0003605400000000 ]  - [   0.0000000000000000,  0.0005923400000000,  0.0001195900000000 ]  - [   0.0000000000000000,  0.0000201800000000,  0.0003605400000000 ]  - [  -0.0003116300000000, -0.0001799200000000, -0.0003843800000000 ]  - [  -0.0018010800000000,  0.0010398600000000,  0.0020473500000000 ]  - [   0.0018010800000000,  0.0010398600000000,  0.0020473500000000 ]  - [   0.0003116300000000, -0.0001799200000000, -0.0003843800000000 ]  - [   0.0000000000000000,  0.0003598400000000, -0.0003843800000000 ]  - [   0.0000000000000000, -0.0020797100000000,  0.0020473500000000 ]  - [   0.0000000000000000,  0.0004246700000000, -0.0005461100000000 ]  - [   0.0000000000000000,  0.0006756000000000, -0.0010088800000000 ]  - [   0.0005850900000000, -0.0003378000000000, -0.0010088800000000 ]  - [  -0.0003677700000000, -0.0002123300000000, -0.0005461100000000 ]  - [   0.0003677700000000, -0.0002123300000000, -0.0005461100000000 ]  - [  -0.0005850900000000, -0.0003378000000000, -0.0010088800000000 ]  - [   0.0002481200000000,  0.0001432500000000, -0.0019166900000000 ]  - [   0.0000951300000000, -0.0000549200000000, -0.0019175800000000 ]  - [  -0.0000951300000000, -0.0000549200000000, -0.0019175800000000 ]  - [  -0.0002481200000000,  0.0001432500000000, -0.0019166900000000 ]  - [   0.0000000000000000,  0.0001098400000000, -0.0019175800000000 ]  - [   0.0000000000000000, -0.0002865100000000, -0.0019166900000000 ]  - [  -0.0014134200000000, -0.0008160400000000, -0.0007676100000000 ]  - [   0.0014005100000000, -0.0008085800000000, -0.0000179900000000 ]  - [  -0.0014005100000000, -0.0008085800000000, -0.0000179900000000 ]  - [   0.0014134200000000, -0.0008160400000000, -0.0007676100000000 ]  - [   0.0000000000000000,  0.0016320800000000, -0.0007676100000000 ]  - [   0.0000000000000000,  0.0016171700000000, -0.0000179900000000 ]  - [   0.0000000000000000, -0.0326030100000000,  0.0337666200000000 ]  - [   0.0000000000000000,  0.0006912800000000, -0.0011415300000000 ]  - [   0.0005986600000000, -0.0003456400000000, -0.0011415300000000 ]  - [   0.0282350300000000,  0.0163015100000000,  0.0337666200000000 ]  - [  -0.0282350300000000,  0.0163015100000000,  0.0337666200000000 ]  - [  -0.0005986600000000, -0.0003456400000000, -0.0011415300000000 ]  - [  -0.0001353900000000, -0.0000781700000000,  0.0000720800000000 ]  - [   0.0003723700000000, -0.0002149900000000,  0.0003820000000000 ]  - [  -0.0003723700000000, -0.0002149900000000,  0.0003820000000000 ]  - [   0.0001353900000000, -0.0000781700000000,  0.0000720800000000 ]  - [   0.0000000000000000,  0.0004299700000000,  0.0003820000000000 ]  - [   0.0000000000000000,  0.0001563400000000,  0.0000720800000000 ]  - [   0.0017927000000000,  0.0010350200000000,  0.0013430400000000 ]  - [   0.0002967900000000, -0.0001713500000000,  0.0003855900000000 ]  - [  -0.0002967900000000, -0.0001713500000000,  0.0003855900000000 ]  - [  -0.0017927000000000,  0.0010350200000000,  0.0013430400000000 ]  - [   0.0000000000000000, -0.0020700300000000,  0.0013430400000000 ]  - [   0.0000000000000000,  0.0003427100000000,  0.0003855900000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0002126500000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.1996113600000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0065084400000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0040147800000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0001923300000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0040137500000000 ]