# Fileset [phonopy_params.yaml.xz](https://mdr.nims.go.jp/filesets/f6d4b2d0-1964-42cc-a13c-0cd99506fac6/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 SrLiAlF6 / P2_1/c (14) / materials id 555591](https://mdr.nims.go.jp/datasets/8bcb93fe-09d3-485d-b7c0-46c51eae4467) ## Fulltext phonopy: version: 2.17.1 frequency_unit_conversion_factor: 15.633302 symmetry_tolerance: 1.00000e-05 configuration: save_params: ".true."physical_unit: atomic_mass: "AMU" length: "angstrom" force_constants: "eV/angstrom^2"space_group: type: "P2_1/c" number: 14 Hall_symbol: "-P 2ybc"supercell_matrix:- [ 2, 0, 0 ]- [ 0, 1, 0 ]- [ 0, 0, 2 ]primitive_cell: lattice: - [ 5.012170190000000, 0.000000000000000, -0.014199730000000 ] # a - [ 0.000000000000000, 10.120898329999999, 0.000000000000000 ] # b - [ -0.176925150000000, 0.000000000000000, 8.444179009999999 ] # c points: - symbol: Sr # 1 coordinates: [ 0.666081200000000, 0.681491050000000, 0.530098180000000 ] mass: 87.620000 - symbol: Sr # 2 coordinates: [ 0.666081200000000, 0.818508950000000, 0.030098180000000 ] mass: 87.620000 - symbol: Sr # 3 coordinates: [ 0.333918800000000, 0.181491050000000, 0.969901820000000 ] mass: 87.620000 - symbol: Sr # 4 coordinates: [ 0.333918800000000, 0.318508950000000, 0.469901820000000 ] mass: 87.620000 - symbol: Li # 5 coordinates: [ 0.259129920000000, 0.934238710000000, 0.339293050000000 ] mass: 6.941000 - symbol: Li # 6 coordinates: [ 0.259129920000000, 0.565761290000000, 0.839293050000000 ] mass: 6.941000 - symbol: Li # 7 coordinates: [ 0.740870080000000, 0.434238710000000, 0.160706950000000 ] mass: 6.941000 - symbol: Li # 8 coordinates: [ 0.740870080000000, 0.065761290000000, 0.660706950000000 ] mass: 6.941000 - symbol: Al # 9 coordinates: [ 0.229480670000000, 0.901221730000000, 0.740601460000000 ] mass: 26.981539 - symbol: Al # 10 coordinates: [ 0.770519330000000, 0.098778270000000, 0.259398540000000 ] mass: 26.981539 - symbol: Al # 11 coordinates: [ 0.770519330000000, 0.401221730000000, 0.759398540000000 ] mass: 26.981539 - symbol: Al # 12 coordinates: [ 0.229480670000000, 0.598778270000000, 0.240601460000000 ] mass: 26.981539 - symbol: F # 13 coordinates: [ 0.082542880000000, 0.156217240000000, 0.333652860000000 ] mass: 18.998403 - symbol: F # 14 coordinates: [ 0.466401920000000, 0.017266410000000, 0.176261370000000 ] mass: 18.998403 - symbol: F # 15 coordinates: [ 0.533598080000000, 0.517266410000000, 0.323738630000000 ] mass: 18.998403 - symbol: F # 16 coordinates: [ 0.895254130000000, 0.569817770000000, 0.778332060000000 ] mass: 18.998403 - symbol: F # 17 coordinates: [ 0.370652790000000, 0.895386630000000, 0.547674340000000 ] mass: 18.998403 - symbol: F # 18 coordinates: [ 0.629347210000000, 0.395386630000000, 0.952325660000000 ] mass: 18.998403 - symbol: F # 19 coordinates: [ 0.875236770000000, 0.384363020000000, 0.557063340000000 ] mass: 18.998403 - symbol: F # 20 coordinates: [ 0.397786450000000, 0.759863560000000, 0.272330390000000 ] mass: 18.998403 - symbol: F # 21 coordinates: [ 0.124763230000000, 0.615636980000000, 0.442936660000000 ] mass: 18.998403 - symbol: F # 22 coordinates: [ 0.629347210000000, 0.104613370000000, 0.452325660000000 ] mass: 18.998403 - symbol: F # 23 coordinates: [ 0.104745870000000, 0.069817770000000, 0.721667940000000 ] mass: 18.998403 - symbol: F # 24 coordinates: [ 0.397786450000000, 0.740136440000000, 0.772330390000000 ] mass: 18.998403 - symbol: F # 25 coordinates: [ 0.917457120000000, 0.843782760000000, 0.666347140000000 ] mass: 18.998403 - symbol: F # 26 coordinates: [ 0.917457120000000, 0.656217240000000, 0.166347140000000 ] mass: 18.998403 - symbol: F # 27 coordinates: [ 0.124763230000000, 0.884363020000000, 0.942936660000000 ] mass: 18.998403 - symbol: F # 28 coordinates: [ 0.602213550000000, 0.259863560000000, 0.227669610000000 ] mass: 18.998403 - symbol: F # 29 coordinates: [ 0.895254130000000, 0.930182230000000, 0.278332060000000 ] mass: 18.998403 - symbol: F # 30 coordinates: [ 0.104745870000000, 0.430182230000000, 0.221667940000000 ] mass: 18.998403 - symbol: F # 31 coordinates: [ 0.082542880000000, 0.343782760000000, 0.833652860000000 ] mass: 18.998403 - symbol: F # 32 coordinates: [ 0.466401920000000, 0.482733590000000, 0.676261370000000 ] mass: 18.998403 - symbol: F # 33 coordinates: [ 0.602213550000000, 0.240136440000000, 0.727669610000000 ] mass: 18.998403 - symbol: F # 34 coordinates: [ 0.875236770000000, 0.115636980000000, 0.057063340000000 ] mass: 18.998403 - symbol: F # 35 coordinates: [ 0.370652790000000, 0.604613370000000, 0.047674340000000 ] mass: 18.998403 - symbol: F # 36 coordinates: [ 0.533598080000000, 0.982733590000000, 0.823738630000000 ] mass: 18.998403 reciprocal_lattice: # without 2pi - [ 0.199526218103574, 0.000000000000000, 0.004180537388549 ] # a* - [ 0.000000000000000, 0.098805458507160, 0.000000000000000 ] # b* - [ 0.000335523254734, 0.000000000000000, 0.118431805071618 ] # c*unit_cell: lattice: - [ 5.012170190000000, 0.000000000000000, -0.014199730000000 ] # a - [ 0.000000000000000, 10.120898329999999, 0.000000000000000 ] # b - [ -0.176925150000000, 0.000000000000000, 8.444179009999999 ] # c points: - symbol: Sr # 1 coordinates: [ 0.666081200000000, 0.681491050000000, 0.530098180000000 ] mass: 87.620000 reduced_to: 1 - symbol: Sr # 2 coordinates: [ 0.666081200000000, 0.818508950000000, 0.030098180000000 ] mass: 87.620000 reduced_to: 2 - symbol: Sr # 3 coordinates: [ 0.333918800000000, 0.181491050000000, 0.969901820000000 ] mass: 87.620000 reduced_to: 3 - symbol: Sr # 4 coordinates: [ 0.333918800000000, 0.318508950000000, 0.469901820000000 ] mass: 87.620000 reduced_to: 4 - symbol: Li # 5 coordinates: [ 0.259129920000000, 0.934238710000000, 0.339293050000000 ] mass: 6.941000 reduced_to: 5 - symbol: Li # 6 coordinates: [ 0.259129920000000, 0.565761290000000, 0.839293050000000 ] mass: 6.941000 reduced_to: 6 - symbol: Li # 7 coordinates: [ 0.740870080000000, 0.434238710000000, 0.160706950000000 ] mass: 6.941000 reduced_to: 7 - symbol: Li # 8 coordinates: [ 0.740870080000000, 0.065761290000000, 0.660706950000000 ] mass: 6.941000 reduced_to: 8 - symbol: Al # 9 coordinates: [ 0.229480670000000, 0.901221730000000, 0.740601460000000 ] mass: 26.981539 reduced_to: 9 - symbol: Al # 10 coordinates: [ 0.770519330000000, 0.098778270000000, 0.259398540000000 ] mass: 26.981539 reduced_to: 10 - symbol: Al # 11 coordinates: [ 0.770519330000000, 0.401221730000000, 0.759398540000000 ] mass: 26.981539 reduced_to: 11 - symbol: Al # 12 coordinates: [ 0.229480670000000, 0.598778270000000, 0.240601460000000 ] mass: 26.981539 reduced_to: 12 - symbol: F # 13 coordinates: [ 0.082542880000000, 0.156217240000000, 0.333652860000000 ] mass: 18.998403 reduced_to: 13 - symbol: F # 14 coordinates: [ 0.466401920000000, 0.017266410000000, 0.176261370000000 ] mass: 18.998403 reduced_to: 14 - symbol: F # 15 coordinates: [ 0.533598080000000, 0.517266410000000, 0.323738630000000 ] mass: 18.998403 reduced_to: 15 - symbol: F # 16 coordinates: [ 0.895254130000000, 0.569817770000000, 0.778332060000000 ] mass: 18.998403 reduced_to: 16 - symbol: F # 17 coordinates: [ 0.370652790000000, 0.895386630000000, 0.547674340000000 ] mass: 18.998403 reduced_to: 17 - symbol: F # 18 coordinates: [ 0.629347210000000, 0.395386630000000, 0.952325660000000 ] mass: 18.998403 reduced_to: 18 - symbol: F # 19 coordinates: [ 0.875236770000000, 0.384363020000000, 0.557063340000000 ] mass: 18.998403 reduced_to: 19 - symbol: F # 20 coordinates: [ 0.397786450000000, 0.759863560000000, 0.272330390000000 ] mass: 18.998403 reduced_to: 20 - symbol: F # 21 coordinates: [ 0.124763230000000, 0.615636980000000, 0.442936660000000 ] mass: 18.998403 reduced_to: 21 - symbol: F # 22 coordinates: [ 0.629347210000000, 0.104613370000000, 0.452325660000000 ] mass: 18.998403 reduced_to: 22 - symbol: F # 23 coordinates: [ 0.104745870000000, 0.069817770000000, 0.721667940000000 ] mass: 18.998403 reduced_to: 23 - symbol: F # 24 coordinates: [ 0.397786450000000, 0.740136440000000, 0.772330390000000 ] mass: 18.998403 reduced_to: 24 - symbol: F # 25 coordinates: [ 0.917457120000000, 0.843782760000000, 0.666347140000000 ] mass: 18.998403 reduced_to: 25 - symbol: F # 26 coordinates: [ 0.917457120000000, 0.656217240000000, 0.166347140000000 ] mass: 18.998403 reduced_to: 26 - symbol: F # 27 coordinates: [ 0.124763230000000, 0.884363020000000, 0.942936660000000 ] mass: 18.998403 reduced_to: 27 - symbol: F # 28 coordinates: [ 0.602213550000000, 0.259863560000000, 0.227669610000000 ] mass: 18.998403 reduced_to: 28 - symbol: F # 29 coordinates: [ 0.895254130000000, 0.930182230000000, 0.278332060000000 ] mass: 18.998403 reduced_to: 29 - symbol: F # 30 coordinates: [ 0.104745870000000, 0.430182230000000, 0.221667940000000 ] mass: 18.998403 reduced_to: 30 - symbol: F # 31 coordinates: [ 0.082542880000000, 0.343782760000000, 0.833652860000000 ] mass: 18.998403 reduced_to: 31 - symbol: F # 32 coordinates: [ 0.466401920000000, 0.482733590000000, 0.676261370000000 ] mass: 18.998403 reduced_to: 32 - symbol: F # 33 coordinates: [ 0.602213550000000, 0.240136440000000, 0.727669610000000 ] mass: 18.998403 reduced_to: 33 - symbol: F # 34 coordinates: [ 0.875236770000000, 0.115636980000000, 0.057063340000000 ] mass: 18.998403 reduced_to: 34 - symbol: F # 35 coordinates: [ 0.370652790000000, 0.604613370000000, 0.047674340000000 ] mass: 18.998403 reduced_to: 35 - symbol: F # 36 coordinates: [ 0.533598080000000, 0.982733590000000, 0.823738630000000 ] mass: 18.998403 reduced_to: 36supercell: lattice: - [ 10.024340380000000, 0.000000000000000, -0.028399460000000 ] # a - [ 0.000000000000000, 10.120898329999999, 0.000000000000000 ] # b - [ -0.353850300000000, 0.000000000000000, 16.888358019999998 ] # c points: - symbol: Sr # 1 coordinates: [ 0.333040600000000, 0.681491050000000, 0.265049090000000 ] mass: 87.620000 reduced_to: 1 - symbol: Sr # 2 coordinates: [ 0.833040600000000, 0.681491050000000, 0.265049090000000 ] mass: 87.620000 reduced_to: 1 - symbol: Sr # 3 coordinates: [ 0.333040600000000, 0.681491050000000, 0.765049090000000 ] mass: 87.620000 reduced_to: 1 - symbol: Sr # 4 coordinates: [ 0.833040600000000, 0.681491050000000, 0.765049090000000 ] mass: 87.620000 reduced_to: 1 - symbol: Sr # 5 coordinates: [ 0.333040600000000, 0.818508950000000, 0.015049090000000 ] mass: 87.620000 reduced_to: 5 - symbol: Sr # 6 coordinates: [ 0.833040600000000, 0.818508950000000, 0.015049090000000 ] mass: 87.620000 reduced_to: 5 - symbol: Sr # 7 coordinates: [ 0.333040600000000, 0.818508950000000, 0.515049090000000 ] mass: 87.620000 reduced_to: 5 - symbol: Sr # 8 coordinates: [ 0.833040600000000, 0.818508950000000, 0.515049090000000 ] mass: 87.620000 reduced_to: 5 - symbol: Sr # 9 coordinates: [ 0.166959400000000, 0.181491050000000, 0.484950910000000 ] mass: 87.620000 reduced_to: 9 - symbol: Sr # 10 coordinates: [ 0.666959400000000, 0.181491050000000, 0.484950910000000 ] mass: 87.620000 reduced_to: 9 - symbol: Sr # 11 coordinates: [ 0.166959400000000, 0.181491050000000, 0.984950910000000 ] mass: 87.620000 reduced_to: 9 - symbol: Sr # 12 coordinates: [ 0.666959400000000, 0.181491050000000, 0.984950910000000 ] mass: 87.620000 reduced_to: 9 - symbol: Sr # 13 coordinates: [ 0.166959400000000, 0.318508950000000, 0.234950910000000 ] mass: 87.620000 reduced_to: 13 - symbol: Sr # 14 coordinates: [ 0.666959400000000, 0.318508950000000, 0.234950910000000 ] mass: 87.620000 reduced_to: 13 - symbol: Sr # 15 coordinates: [ 0.166959400000000, 0.318508950000000, 0.734950910000000 ] mass: 87.620000 reduced_to: 13 - symbol: Sr # 16 coordinates: [ 0.666959400000000, 0.318508950000000, 0.734950910000000 ] mass: 87.620000 reduced_to: 13 - symbol: Li # 17 coordinates: [ 0.129564960000000, 0.934238710000000, 0.169646525000000 ] mass: 6.941000 reduced_to: 17 - symbol: Li # 18 coordinates: [ 0.629564960000000, 0.934238710000000, 0.169646525000000 ] mass: 6.941000 reduced_to: 17 - symbol: Li # 19 coordinates: [ 0.129564960000000, 0.934238710000000, 0.669646525000000 ] mass: 6.941000 reduced_to: 17 - symbol: Li # 20 coordinates: [ 0.629564960000000, 0.934238710000000, 0.669646525000000 ] mass: 6.941000 reduced_to: 17 - symbol: Li # 21 coordinates: [ 0.129564960000000, 0.565761290000000, 0.419646525000000 ] mass: 6.941000 reduced_to: 21 - symbol: Li # 22 coordinates: [ 0.629564960000000, 0.565761290000000, 0.419646525000000 ] mass: 6.941000 reduced_to: 21 - symbol: Li # 23 coordinates: [ 0.129564960000000, 0.565761290000000, 0.919646525000000 ] mass: 6.941000 reduced_to: 21 - symbol: Li # 24 coordinates: [ 0.629564960000000, 0.565761290000000, 0.919646525000000 ] mass: 6.941000 reduced_to: 21 - symbol: Li # 25 coordinates: [ 0.370435040000000, 0.434238710000000, 0.080353475000000 ] mass: 6.941000 reduced_to: 25 - symbol: Li # 26 coordinates: [ 0.870435040000000, 0.434238710000000, 0.080353475000000 ] mass: 6.941000 reduced_to: 25 - symbol: Li # 27 coordinates: [ 0.370435040000000, 0.434238710000000, 0.580353475000000 ] mass: 6.941000 reduced_to: 25 - symbol: Li # 28 coordinates: [ 0.870435040000000, 0.434238710000000, 0.580353475000000 ] mass: 6.941000 reduced_to: 25 - symbol: Li # 29 coordinates: [ 0.370435040000000, 0.065761290000000, 0.330353475000000 ] mass: 6.941000 reduced_to: 29 - symbol: Li # 30 coordinates: [ 0.870435040000000, 0.065761290000000, 0.330353475000000 ] mass: 6.941000 reduced_to: 29 - symbol: Li # 31 coordinates: [ 0.370435040000000, 0.065761290000000, 0.830353475000000 ] mass: 6.941000 reduced_to: 29 - symbol: Li # 32 coordinates: [ 0.870435040000000, 0.065761290000000, 0.830353475000000 ] mass: 6.941000 reduced_to: 29 - symbol: Al # 33 coordinates: [ 0.114740335000000, 0.901221730000000, 0.370300730000000 ] mass: 26.981539 reduced_to: 33 - symbol: Al # 34 coordinates: [ 0.614740335000000, 0.901221730000000, 0.370300730000000 ] mass: 26.981539 reduced_to: 33 - symbol: Al # 35 coordinates: [ 0.114740335000000, 0.901221730000000, 0.870300730000000 ] mass: 26.981539 reduced_to: 33 - symbol: Al # 36 coordinates: [ 0.614740335000000, 0.901221730000000, 0.870300730000000 ] mass: 26.981539 reduced_to: 33 - symbol: Al # 37 coordinates: [ 0.385259665000000, 0.098778270000000, 0.129699270000000 ] mass: 26.981539 reduced_to: 37 - symbol: Al # 38 coordinates: [ 0.885259665000000, 0.098778270000000, 0.129699270000000 ] mass: 26.981539 reduced_to: 37 - symbol: Al # 39 coordinates: [ 0.385259665000000, 0.098778270000000, 0.629699270000000 ] mass: 26.981539 reduced_to: 37 - symbol: Al # 40 coordinates: [ 0.885259665000000, 0.098778270000000, 0.629699270000000 ] mass: 26.981539 reduced_to: 37 - symbol: Al # 41 coordinates: [ 0.385259665000000, 0.401221730000000, 0.379699270000000 ] mass: 26.981539 reduced_to: 41 - symbol: Al # 42 coordinates: [ 0.885259665000000, 0.401221730000000, 0.379699270000000 ] mass: 26.981539 reduced_to: 41 - symbol: Al # 43 coordinates: [ 0.385259665000000, 0.401221730000000, 0.879699270000000 ] mass: 26.981539 reduced_to: 41 - symbol: Al # 44 coordinates: [ 0.885259665000000, 0.401221730000000, 0.879699270000000 ] mass: 26.981539 reduced_to: 41 - symbol: Al # 45 coordinates: [ 0.114740335000000, 0.598778270000000, 0.120300730000000 ] mass: 26.981539 reduced_to: 45 - symbol: Al # 46 coordinates: [ 0.614740335000000, 0.598778270000000, 0.120300730000000 ] mass: 26.981539 reduced_to: 45 - symbol: Al # 47 coordinates: [ 0.114740335000000, 0.598778270000000, 0.620300730000000 ] mass: 26.981539 reduced_to: 45 - symbol: Al # 48 coordinates: [ 0.614740335000000, 0.598778270000000, 0.620300730000000 ] mass: 26.981539 reduced_to: 45 - symbol: F # 49 coordinates: [ 0.041271440000000, 0.156217240000000, 0.166826430000000 ] mass: 18.998403 reduced_to: 49 - symbol: F # 50 coordinates: [ 0.541271440000000, 0.156217240000000, 0.166826430000000 ] mass: 18.998403 reduced_to: 49 - symbol: F # 51 coordinates: [ 0.041271440000000, 0.156217240000000, 0.666826430000000 ] mass: 18.998403 reduced_to: 49 - symbol: F # 52 coordinates: [ 0.541271440000000, 0.156217240000000, 0.666826430000000 ] mass: 18.998403 reduced_to: 49 - symbol: F # 53 coordinates: [ 0.233200960000000, 0.017266410000000, 0.088130685000000 ] mass: 18.998403 reduced_to: 53 - symbol: F # 54 coordinates: [ 0.733200960000000, 0.017266410000000, 0.088130685000000 ] mass: 18.998403 reduced_to: 53 - symbol: F # 55 coordinates: [ 0.233200960000000, 0.017266410000000, 0.588130685000000 ] mass: 18.998403 reduced_to: 53 - symbol: F # 56 coordinates: [ 0.733200960000000, 0.017266410000000, 0.588130685000000 ] mass: 18.998403 reduced_to: 53 - symbol: F # 57 coordinates: [ 0.266799040000000, 0.517266410000000, 0.161869315000000 ] mass: 18.998403 reduced_to: 57 - symbol: F # 58 coordinates: [ 0.766799040000000, 0.517266410000000, 0.161869315000000 ] mass: 18.998403 reduced_to: 57 - symbol: F # 59 coordinates: [ 0.266799040000000, 0.517266410000000, 0.661869315000000 ] mass: 18.998403 reduced_to: 57 - symbol: F # 60 coordinates: [ 0.766799040000000, 0.517266410000000, 0.661869315000000 ] mass: 18.998403 reduced_to: 57 - symbol: F # 61 coordinates: [ 0.447627065000000, 0.569817770000000, 0.389166030000000 ] mass: 18.998403 reduced_to: 61 - symbol: F # 62 coordinates: [ 0.947627065000000, 0.569817770000000, 0.389166030000000 ] mass: 18.998403 reduced_to: 61 - symbol: F # 63 coordinates: [ 0.447627065000000, 0.569817770000000, 0.889166030000000 ] mass: 18.998403 reduced_to: 61 - symbol: F # 64 coordinates: [ 0.947627065000000, 0.569817770000000, 0.889166030000000 ] mass: 18.998403 reduced_to: 61 - symbol: F # 65 coordinates: [ 0.185326395000000, 0.895386630000000, 0.273837170000000 ] mass: 18.998403 reduced_to: 65 - symbol: F # 66 coordinates: [ 0.685326395000000, 0.895386630000000, 0.273837170000000 ] mass: 18.998403 reduced_to: 65 - symbol: F # 67 coordinates: [ 0.185326395000000, 0.895386630000000, 0.773837170000000 ] mass: 18.998403 reduced_to: 65 - symbol: F # 68 coordinates: [ 0.685326395000000, 0.895386630000000, 0.773837170000000 ] mass: 18.998403 reduced_to: 65 - symbol: F # 69 coordinates: [ 0.314673605000000, 0.395386630000000, 0.476162830000000 ] mass: 18.998403 reduced_to: 69 - symbol: F # 70 coordinates: [ 0.814673605000000, 0.395386630000000, 0.476162830000000 ] mass: 18.998403 reduced_to: 69 - symbol: F # 71 coordinates: [ 0.314673605000000, 0.395386630000000, 0.976162830000000 ] mass: 18.998403 reduced_to: 69 - symbol: F # 72 coordinates: [ 0.814673605000000, 0.395386630000000, 0.976162830000000 ] mass: 18.998403 reduced_to: 69 - symbol: F # 73 coordinates: [ 0.437618385000000, 0.384363020000000, 0.278531670000000 ] mass: 18.998403 reduced_to: 73 - symbol: F # 74 coordinates: [ 0.937618385000000, 0.384363020000000, 0.278531670000000 ] mass: 18.998403 reduced_to: 73 - symbol: F # 75 coordinates: [ 0.437618385000000, 0.384363020000000, 0.778531670000000 ] mass: 18.998403 reduced_to: 73 - symbol: F # 76 coordinates: [ 0.937618385000000, 0.384363020000000, 0.778531670000000 ] mass: 18.998403 reduced_to: 73 - symbol: F # 77 coordinates: [ 0.198893225000000, 0.759863560000000, 0.136165195000000 ] mass: 18.998403 reduced_to: 77 - symbol: F # 78 coordinates: [ 0.698893225000000, 0.759863560000000, 0.136165195000000 ] mass: 18.998403 reduced_to: 77 - symbol: F # 79 coordinates: [ 0.198893225000000, 0.759863560000000, 0.636165195000000 ] mass: 18.998403 reduced_to: 77 - symbol: F # 80 coordinates: [ 0.698893225000000, 0.759863560000000, 0.636165195000000 ] mass: 18.998403 reduced_to: 77 - symbol: F # 81 coordinates: [ 0.062381615000000, 0.615636980000000, 0.221468330000000 ] mass: 18.998403 reduced_to: 81 - symbol: F # 82 coordinates: [ 0.562381615000000, 0.615636980000000, 0.221468330000000 ] mass: 18.998403 reduced_to: 81 - symbol: F # 83 coordinates: [ 0.062381615000000, 0.615636980000000, 0.721468330000000 ] mass: 18.998403 reduced_to: 81 - symbol: F # 84 coordinates: [ 0.562381615000000, 0.615636980000000, 0.721468330000000 ] mass: 18.998403 reduced_to: 81 - symbol: F # 85 coordinates: [ 0.314673605000000, 0.104613370000000, 0.226162830000000 ] mass: 18.998403 reduced_to: 85 - symbol: F # 86 coordinates: [ 0.814673605000000, 0.104613370000000, 0.226162830000000 ] mass: 18.998403 reduced_to: 85 - symbol: F # 87 coordinates: [ 0.314673605000000, 0.104613370000000, 0.726162830000000 ] mass: 18.998403 reduced_to: 85 - symbol: F # 88 coordinates: [ 0.814673605000000, 0.104613370000000, 0.726162830000000 ] mass: 18.998403 reduced_to: 85 - symbol: F # 89 coordinates: [ 0.052372935000000, 0.069817770000000, 0.360833970000000 ] mass: 18.998403 reduced_to: 89 - symbol: F # 90 coordinates: [ 0.552372935000000, 0.069817770000000, 0.360833970000000 ] mass: 18.998403 reduced_to: 89 - symbol: F # 91 coordinates: [ 0.052372935000000, 0.069817770000000, 0.860833970000000 ] mass: 18.998403 reduced_to: 89 - symbol: F # 92 coordinates: [ 0.552372935000000, 0.069817770000000, 0.860833970000000 ] mass: 18.998403 reduced_to: 89 - symbol: F # 93 coordinates: [ 0.198893225000000, 0.740136440000000, 0.386165195000000 ] mass: 18.998403 reduced_to: 93 - symbol: F # 94 coordinates: [ 0.698893225000000, 0.740136440000000, 0.386165195000000 ] mass: 18.998403 reduced_to: 93 - symbol: F # 95 coordinates: [ 0.198893225000000, 0.740136440000000, 0.886165195000000 ] mass: 18.998403 reduced_to: 93 - symbol: F # 96 coordinates: [ 0.698893225000000, 0.740136440000000, 0.886165195000000 ] mass: 18.998403 reduced_to: 93 - symbol: F # 97 coordinates: [ 0.458728560000000, 0.843782760000000, 0.333173570000000 ] mass: 18.998403 reduced_to: 97 - symbol: F # 98 coordinates: [ 0.958728560000000, 0.843782760000000, 0.333173570000000 ] mass: 18.998403 reduced_to: 97 - symbol: F # 99 coordinates: [ 0.458728560000000, 0.843782760000000, 0.833173570000000 ] mass: 18.998403 reduced_to: 97 - symbol: F # 100 coordinates: [ 0.958728560000000, 0.843782760000000, 0.833173570000000 ] mass: 18.998403 reduced_to: 97 - symbol: F # 101 coordinates: [ 0.458728560000000, 0.656217240000000, 0.083173570000000 ] mass: 18.998403 reduced_to: 101 - symbol: F # 102 coordinates: [ 0.958728560000000, 0.656217240000000, 0.083173570000000 ] mass: 18.998403 reduced_to: 101 - symbol: F # 103 coordinates: [ 0.458728560000000, 0.656217240000000, 0.583173570000000 ] mass: 18.998403 reduced_to: 101 - symbol: F # 104 coordinates: [ 0.958728560000000, 0.656217240000000, 0.583173570000000 ] mass: 18.998403 reduced_to: 101 - symbol: F # 105 coordinates: [ 0.062381615000000, 0.884363020000000, 0.471468330000000 ] mass: 18.998403 reduced_to: 105 - symbol: F # 106 coordinates: [ 0.562381615000000, 0.884363020000000, 0.471468330000000 ] mass: 18.998403 reduced_to: 105 - symbol: F # 107 coordinates: [ 0.062381615000000, 0.884363020000000, 0.971468330000000 ] mass: 18.998403 reduced_to: 105 - symbol: F # 108 coordinates: [ 0.562381615000000, 0.884363020000000, 0.971468330000000 ] mass: 18.998403 reduced_to: 105 - symbol: F # 109 coordinates: [ 0.301106775000000, 0.259863560000000, 0.113834805000000 ] mass: 18.998403 reduced_to: 109 - symbol: F # 110 coordinates: [ 0.801106775000000, 0.259863560000000, 0.113834805000000 ] mass: 18.998403 reduced_to: 109 - symbol: F # 111 coordinates: [ 0.301106775000000, 0.259863560000000, 0.613834805000000 ] mass: 18.998403 reduced_to: 109 - symbol: F # 112 coordinates: [ 0.801106775000000, 0.259863560000000, 0.613834805000000 ] mass: 18.998403 reduced_to: 109 - symbol: F # 113 coordinates: [ 0.447627065000000, 0.930182230000000, 0.139166030000000 ] mass: 18.998403 reduced_to: 113 - symbol: F # 114 coordinates: [ 0.947627065000000, 0.930182230000000, 0.139166030000000 ] mass: 18.998403 reduced_to: 113 - symbol: F # 115 coordinates: [ 0.447627065000000, 0.930182230000000, 0.639166030000000 ] mass: 18.998403 reduced_to: 113 - symbol: F # 116 coordinates: [ 0.947627065000000, 0.930182230000000, 0.639166030000000 ] mass: 18.998403 reduced_to: 113 - symbol: F # 117 coordinates: [ 0.052372935000000, 0.430182230000000, 0.110833970000000 ] mass: 18.998403 reduced_to: 117 - symbol: F # 118 coordinates: [ 0.552372935000000, 0.430182230000000, 0.110833970000000 ] mass: 18.998403 reduced_to: 117 - symbol: F # 119 coordinates: [ 0.052372935000000, 0.430182230000000, 0.610833970000000 ] mass: 18.998403 reduced_to: 117 - symbol: F # 120 coordinates: [ 0.552372935000000, 0.430182230000000, 0.610833970000000 ] mass: 18.998403 reduced_to: 117 - symbol: F # 121 coordinates: [ 0.041271440000000, 0.343782760000000, 0.416826430000000 ] mass: 18.998403 reduced_to: 121 - symbol: F # 122 coordinates: [ 0.541271440000000, 0.343782760000000, 0.416826430000000 ] mass: 18.998403 reduced_to: 121 - symbol: F # 123 coordinates: [ 0.041271440000000, 0.343782760000000, 0.916826430000000 ] mass: 18.998403 reduced_to: 121 - symbol: F # 124 coordinates: [ 0.541271440000000, 0.343782760000000, 0.916826430000000 ] mass: 18.998403 reduced_to: 121 - symbol: F # 125 coordinates: [ 0.233200960000000, 0.482733590000000, 0.338130685000000 ] mass: 18.998403 reduced_to: 125 - symbol: F # 126 coordinates: [ 0.733200960000000, 0.482733590000000, 0.338130685000000 ] mass: 18.998403 reduced_to: 125 - symbol: F # 127 coordinates: [ 0.233200960000000, 0.482733590000000, 0.838130685000000 ] mass: 18.998403 reduced_to: 125 - symbol: F # 128 coordinates: [ 0.733200960000000, 0.482733590000000, 0.838130685000000 ] mass: 18.998403 reduced_to: 125 - symbol: F # 129 coordinates: [ 0.301106775000000, 0.240136440000000, 0.363834805000000 ] mass: 18.998403 reduced_to: 129 - symbol: F # 130 coordinates: [ 0.801106775000000, 0.240136440000000, 0.363834805000000 ] mass: 18.998403 reduced_to: 129 - symbol: F # 131 coordinates: [ 0.301106775000000, 0.240136440000000, 0.863834805000000 ] mass: 18.998403 reduced_to: 129 - symbol: F # 132 coordinates: [ 0.801106775000000, 0.240136440000000, 0.863834805000000 ] mass: 18.998403 reduced_to: 129 - symbol: F # 133 coordinates: [ 0.437618385000000, 0.115636980000000, 0.028531670000000 ] mass: 18.998403 reduced_to: 133 - symbol: F # 134 coordinates: [ 0.937618385000000, 0.115636980000000, 0.028531670000000 ] mass: 18.998403 reduced_to: 133 - symbol: F # 135 coordinates: [ 0.437618385000000, 0.115636980000000, 0.528531670000000 ] mass: 18.998403 reduced_to: 133 - symbol: F # 136 coordinates: [ 0.937618385000000, 0.115636980000000, 0.528531670000000 ] mass: 18.998403 reduced_to: 133 - symbol: F # 137 coordinates: [ 0.185326395000000, 0.604613370000000, 0.023837170000000 ] mass: 18.998403 reduced_to: 137 - symbol: F # 138 coordinates: [ 0.685326395000000, 0.604613370000000, 0.023837170000000 ] mass: 18.998403 reduced_to: 137 - symbol: F # 139 coordinates: [ 0.185326395000000, 0.604613370000000, 0.523837170000000 ] mass: 18.998403 reduced_to: 137 - symbol: F # 140 coordinates: [ 0.685326395000000, 0.604613370000000, 0.523837170000000 ] mass: 18.998403 reduced_to: 137 - symbol: F # 141 coordinates: [ 0.266799040000000, 0.982733590000000, 0.411869315000000 ] mass: 18.998403 reduced_to: 141 - symbol: F # 142 coordinates: [ 0.766799040000000, 0.982733590000000, 0.411869315000000 ] mass: 18.998403 reduced_to: 141 - symbol: F # 143 coordinates: [ 0.266799040000000, 0.982733590000000, 0.911869315000000 ] mass: 18.998403 reduced_to: 141 - symbol: F # 144 coordinates: [ 0.766799040000000, 0.982733590000000, 0.911869315000000 ] mass: 18.998403 reduced_to: 141displacements:- atom: 1 displacement: [ 0.0099999598693730, 0.0000000000000000, -0.0000283303887883 ] forces: - [ -0.0614619000000000, -0.0154868900000000, -0.0113331800000000 ] - [ 0.0133239700000000, -0.0006475900000000, 0.0001237400000000 ] - [ -0.0007453600000000, -0.0005794700000000, 0.0000173100000000 ] - [ 0.0000130400000000, -0.0006095000000000, 0.0001399200000000 ] - [ -0.0046065700000000, 0.0006293200000000, 0.0003400900000000 ] - [ 0.0022348200000000, 0.0005586100000000, -0.0000542600000000 ] - [ -0.0046068100000000, 0.0004500900000000, -0.0006131500000000 ] - [ 0.0022359400000000, 0.0007220100000000, 0.0004893100000000 ] - [ -0.0001965000000000, -0.0009294700000000, -0.0010505300000000 ] - [ 0.0012110700000000, -0.0004746300000000, 0.0011270800000000 ] - [ 0.0000064700000000, -0.0005290000000000, 0.0006444000000000 ] - [ 0.0007994300000000, -0.0007656900000000, -0.0005623900000000 ] - [ -0.0006684600000000, 0.0061425900000000, 0.0006759900000000 ] - [ 0.0034019900000000, -0.0027891500000000, -0.0003088000000000 ] - [ 0.0002772400000000, 0.0006645800000000, -0.0000074700000000 ] - [ 0.0004486700000000, 0.0005709500000000, 0.0001523400000000 ] - [ 0.0016615300000000, -0.0043542000000000, 0.0021338100000000 ] - [ 0.0021343200000000, 0.0019626100000000, -0.0024681500000000 ] - [ 0.0005433600000000, -0.0004039800000000, -0.0008707700000000 ] - [ 0.0004845500000000, -0.0003040900000000, -0.0005805600000000 ] - [ 0.0021232500000000, 0.0028796300000000, -0.0052146000000000 ] - [ 0.0030506700000000, -0.0009484000000000, 0.0018819000000000 ] - [ 0.0005171700000000, 0.0004812700000000, -0.0000825900000000 ] - [ 0.0006027200000000, 0.0002555000000000, -0.0012909000000000 ] - [ -0.0031931800000000, -0.0006014700000000, 0.0008906100000000 ] - [ 0.0012489300000000, -0.0001839700000000, 0.0007369900000000 ] - [ -0.0009878700000000, -0.0003983100000000, 0.0009224600000000 ] - [ -0.0001301000000000, -0.0003387800000000, 0.0007787700000000 ] - [ -0.0036059900000000, 0.0015927700000000, 0.0007068700000000 ] - [ 0.0012576300000000, 0.0001471100000000, 0.0007513500000000 ] - [ -0.0006550800000000, 0.0003418100000000, 0.0007704800000000 ] - [ -0.0003687500000000, 0.0003346500000000, 0.0007991500000000 ] - [ 0.0059605100000000, -0.0103290100000000, -0.0089551300000000 ] - [ 0.0089673800000000, 0.0067459800000000, 0.0066739400000000 ] - [ 0.0001352500000000, -0.0004559000000000, 0.0005826900000000 ] - [ 0.0003037500000000, -0.0001917100000000, -0.0003314100000000 ] - [ -0.0040194200000000, 0.0020604000000000, -0.0004512700000000 ] - [ 0.0026209200000000, -0.0004650700000000, 0.0001786900000000 ] - [ -0.0008486100000000, 0.0002405100000000, 0.0001518300000000 ] - [ 0.0004138200000000, 0.0002885500000000, -0.0000343500000000 ] - [ -0.0115994600000000, -0.0050320200000000, 0.0009309100000000 ] - [ 0.0044501400000000, 0.0004579300000000, -0.0003600100000000 ] - [ -0.0008738200000000, -0.0003979800000000, -0.0000211000000000 ] - [ 0.0003960000000000, -0.0002075400000000, 0.0001108900000000 ] - [ 0.0053814000000000, 0.0066508200000000, 0.0169966400000000 ] - [ 0.0083363600000000, -0.0027654100000000, -0.0141789200000000 ] - [ 0.0005148100000000, 0.0004284200000000, -0.0010370900000000 ] - [ 0.0001849900000000, 0.0002347100000000, 0.0011344700000000 ] - [ -0.0015937500000000, 0.0004321200000000, -0.0007180600000000 ] - [ -0.0001522300000000, 0.0004046200000000, 0.0001901000000000 ] - [ -0.0007828600000000, 0.0005161500000000, -0.0001763300000000 ] - [ -0.0006154800000000, 0.0005279900000000, -0.0002861600000000 ] - [ 0.0013798600000000, 0.0007744400000000, -0.0003383900000000 ] - [ -0.0009871100000000, -0.0002723800000000, 0.0003797400000000 ] - [ 0.0002723500000000, 0.0001351700000000, 0.0003519900000000 ] - [ -0.0003546400000000, -0.0000263300000000, -0.0001774400000000 ] - [ 0.0051496500000000, 0.0006871000000000, 0.0013062600000000 ] - [ -0.0041555800000000, 0.0013614600000000, 0.0008336200000000 ] - [ 0.0002334900000000, -0.0000478700000000, 0.0000759600000000 ] - [ -0.0001638600000000, 0.0000861300000000, -0.0003218700000000 ] - [ 0.0060577000000000, 0.0026456400000000, 0.0002239300000000 ] - [ -0.0024900400000000, -0.0010676700000000, 0.0007814200000000 ] - [ 0.0004410900000000, 0.0000140700000000, 0.0004548500000000 ] - [ -0.0000837600000000, -0.0001342400000000, 0.0000292500000000 ] - [ 0.0030717600000000, 0.0013030000000000, 0.0016551600000000 ] - [ -0.0033492700000000, -0.0012661000000000, 0.0001788000000000 ] - [ 0.0000298600000000, 0.0001788400000000, 0.0001811000000000 ] - [ -0.0000392900000000, 0.0001385100000000, 0.0002196500000000 ] - [ 0.0017048300000000, 0.0005559000000000, 0.0000372500000000 ] - [ -0.0008688000000000, 0.0000634400000000, -0.0002929200000000 ] - [ 0.0005321900000000, 0.0001134000000000, -0.0004328200000000 ] - [ -0.0004376400000000, 0.0001606900000000, -0.0001468300000000 ] - [ 0.0025345800000000, 0.0034179400000000, -0.0010399600000000 ] - [ -0.0027116200000000, -0.0004508800000000, 0.0004044600000000 ] - [ -0.0004239600000000, 0.0002760600000000, -0.0001955700000000 ] - [ -0.0006780900000000, 0.0002502500000000, -0.0002688200000000 ] - [ 0.0039821800000000, 0.0006951200000000, -0.0015063100000000 ] - [ -0.0033069700000000, -0.0014604600000000, 0.0026539400000000 ] - [ 0.0002513600000000, 0.0004156300000000, 0.0006366700000000 ] - [ -0.0000139000000000, 0.0002552500000000, 0.0001214200000000 ] - [ -0.0054895600000000, -0.0022499900000000, -0.0037558000000000 ] - [ 0.0109352700000000, -0.0017380700000000, 0.0013901300000000 ] - [ 0.0004976800000000, -0.0002680900000000, 0.0002720600000000 ] - [ 0.0006109000000000, -0.0002777400000000, 0.0000497800000000 ] - [ 0.0019931500000000, -0.0000558100000000, -0.0006255900000000 ] - [ -0.0012602500000000, -0.0000871700000000, 0.0001254100000000 ] - [ 0.0001126100000000, -0.0001515600000000, -0.0002364800000000 ] - [ -0.0000926700000000, -0.0001442100000000, -0.0003043600000000 ] - [ -0.0010317700000000, 0.0013659200000000, 0.0007440300000000 ] - [ -0.0006806800000000, -0.0023162200000000, -0.0011204800000000 ] - [ -0.0002300800000000, -0.0000202200000000, -0.0003781100000000 ] - [ -0.0001447900000000, -0.0000836000000000, -0.0001546900000000 ] - [ 0.0064481300000000, 0.0003598100000000, -0.0011539600000000 ] - [ -0.0032703600000000, -0.0006111400000000, -0.0012190800000000 ] - [ 0.0002788400000000, -0.0002385400000000, 0.0001299700000000 ] - [ -0.0000199400000000, -0.0003898900000000, 0.0005329000000000 ] - [ 0.0127766200000000, 0.0123563000000000, 0.0092060400000000 ] - [ -0.0033785300000000, -0.0000772200000000, 0.0006145500000000 ] - [ 0.0008564000000000, -0.0004940100000000, 0.0002934500000000 ] - [ 0.0005144700000000, -0.0005567400000000, 0.0000457800000000 ] - [ 0.0031586700000000, 0.0001325100000000, 0.0049870700000000 ] - [ -0.0021577800000000, 0.0009445500000000, -0.0023533200000000 ] - [ 0.0011329900000000, 0.0003235200000000, -0.0001370900000000 ] - [ 0.0002165800000000, 0.0006197700000000, 0.0003332300000000 ] - [ -0.0007245000000000, 0.0011986200000000, 0.0020572700000000 ] - [ 0.0002165300000000, -0.0003952700000000, -0.0023344300000000 ] - [ 0.0004141900000000, 0.0004665000000000, -0.0003598400000000 ] - [ 0.0006576700000000, 0.0001153700000000, 0.0006583000000000 ] - [ 0.0009312900000000, -0.0002116700000000, -0.0006456000000000 ] - [ -0.0010328800000000, 0.0006236100000000, -0.0001499400000000 ] - [ 0.0000913100000000, 0.0003122500000000, -0.0003468500000000 ] - [ -0.0003450800000000, 0.0003476300000000, -0.0004988700000000 ] - [ 0.0021961700000000, -0.0025067700000000, 0.0023253200000000 ] - [ -0.0016290200000000, 0.0009582100000000, -0.0004871500000000 ] - [ 0.0004555400000000, 0.0000882400000000, 0.0002386400000000 ] - [ -0.0000657000000000, 0.0000858000000000, 0.0002483700000000 ] - [ -0.0011437600000000, -0.0017682200000000, -0.0018979400000000 ] - [ -0.0000304700000000, 0.0024574600000000, 0.0019436700000000 ] - [ -0.0003108900000000, -0.0000534900000000, -0.0000562100000000 ] - [ -0.0001209700000000, 0.0001496700000000, -0.0005272100000000 ] - [ -0.0013361900000000, -0.0010473400000000, 0.0003074700000000 ] - [ -0.0009134700000000, 0.0009590600000000, -0.0011011500000000 ] - [ -0.0008845200000000, -0.0005474800000000, -0.0004254800000000 ] - [ -0.0005194200000000, -0.0004851000000000, -0.0000079000000000 ] - [ 0.0079113700000000, 0.0000143100000000, 0.0001488900000000 ] - [ -0.0030576000000000, 0.0010669800000000, -0.0007431000000000 ] - [ 0.0001394400000000, -0.0000720500000000, 0.0000294900000000 ] - [ -0.0001872600000000, -0.0000149800000000, 0.0001258500000000 ] - [ 0.0015948000000000, -0.0007194600000000, -0.0002958400000000 ] - [ -0.0012464700000000, -0.0003778500000000, -0.0004442100000000 ] - [ 0.0000230100000000, -0.0003067500000000, -0.0004466000000000 ] - [ -0.0002736800000000, -0.0003445100000000, -0.0003746600000000 ] - [ 0.0000150900000000, -0.0005452000000000, 0.0001741300000000 ] - [ -0.0010542400000000, -0.0001565600000000, -0.0004181100000000 ] - [ -0.0000117000000000, -0.0002636400000000, -0.0004813200000000 ] - [ -0.0010474100000000, -0.0002257900000000, -0.0000041800000000 ] - [ 0.0005824900000000, -0.0006136900000000, -0.0022136800000000 ] - [ -0.0010481100000000, -0.0001408800000000, 0.0016008900000000 ] - [ 0.0001727400000000, -0.0005258000000000, 0.0017613800000000 ] - [ -0.0004100500000000, -0.0000934800000000, -0.0007633600000000 ] - [ 0.0025572900000000, 0.0015532400000000, 0.0012859400000000 ] - [ -0.0014969600000000, -0.0006166200000000, -0.0007376300000000 ] - [ 0.0002182700000000, -0.0000019900000000, -0.0001765000000000 ] - [ -0.0001690000000000, -0.0000391300000000, -0.0001034100000000 ]- atom: 1 displacement: [ -0.0099999598693730, 0.0000000000000000, 0.0000283303887883 ] forces: - [ 0.0601289900000000, 0.0139773500000000, 0.0111449200000000 ] - [ -0.0140300400000000, -0.0005796700000000, -0.0001089100000000 ] - [ 0.0000312000000000, -0.0006492800000000, -0.0000098700000000 ] - [ -0.0007255400000000, -0.0006191900000000, -0.0001320600000000 ] - [ 0.0038852500000000, 0.0005939200000000, -0.0003111100000000 ] - [ -0.0029432200000000, 0.0006760700000000, 0.0000496400000000 ] - [ 0.0038904500000000, 0.0007711000000000, 0.0006020800000000 ] - [ -0.0029451600000000, 0.0005097000000000, -0.0004669700000000 ] - [ 0.0009175100000000, -0.0002976000000000, 0.0010374600000000 ] - [ -0.0005047900000000, -0.0007522600000000, -0.0011342600000000 ] - [ 0.0007113900000000, -0.0006993300000000, -0.0006507200000000 ] - [ -0.0000896000000000, -0.0004637300000000, 0.0005497400000000 ] - [ 0.0014212800000000, -0.0049080900000000, -0.0006823300000000 ] - [ -0.0026981600000000, 0.0039923400000000, 0.0003011000000000 ] - [ 0.0004374600000000, 0.0005639400000000, -0.0000030800000000 ] - [ 0.0002633000000000, 0.0006572800000000, -0.0001629000000000 ] - [ -0.0006221800000000, 0.0036703300000000, -0.0036548500000000 ] - [ -0.0011152100000000, -0.0026372400000000, 0.0009416700000000 ] - [ 0.0004802600000000, -0.0002909200000000, -0.0006439000000000 ] - [ 0.0005370800000000, -0.0003908300000000, -0.0009342500000000 ] - [ -0.0010795100000000, -0.0021954100000000, 0.0037191000000000 ] - [ -0.0020364900000000, 0.0016307300000000, -0.0033739500000000 ] - [ 0.0005085100000000, 0.0002136200000000, -0.0014293500000000 ] - [ 0.0004189400000000, 0.0004384400000000, -0.0002269700000000 ] - [ 0.0021528200000000, -0.0000851400000000, 0.0006379500000000 ] - [ -0.0022677700000000, -0.0005154000000000, 0.0007717300000000 ] - [ -0.0000363500000000, -0.0002959000000000, 0.0005881200000000 ] - [ -0.0008923900000000, -0.0003561400000000, 0.0007376600000000 ] - [ 0.0025788400000000, -0.0009055800000000, 0.0008053400000000 ] - [ -0.0022757900000000, 0.0005532100000000, 0.0007656600000000 ] - [ -0.0003688400000000, 0.0003528400000000, 0.0007440200000000 ] - [ -0.0006532100000000, 0.0003600800000000, 0.0007145200000000 ] - [ -0.0054912900000000, 0.0097635700000000, 0.0090425500000000 ] - [ -0.0085688700000000, -0.0072958000000000, -0.0065790300000000 ] - [ 0.0002965800000000, -0.0001463400000000, -0.0005318500000000 ] - [ 0.0001221100000000, -0.0004093500000000, 0.0003798000000000 ] - [ 0.0035794500000000, -0.0014637400000000, 0.0004081200000000 ] - [ -0.0030413600000000, 0.0010730800000000, -0.0002339100000000 ] - [ 0.0004182600000000, 0.0003608500000000, -0.0002057600000000 ] - [ -0.0008412000000000, 0.0003135600000000, -0.0000161900000000 ] - [ 0.0111314400000000, 0.0044883500000000, -0.0010190100000000 ] - [ -0.0048672600000000, -0.0010809500000000, 0.0003242100000000 ] - [ 0.0004418400000000, -0.0002036900000000, -0.0000288000000000 ] - [ -0.0008221700000000, -0.0003947600000000, -0.0001653500000000 ] - [ -0.0048759200000000, -0.0060923600000000, -0.0170686300000000 ] - [ -0.0078796500000000, 0.0033369400000000, 0.0141139800000000 ] - [ -0.0000802800000000, 0.0001736500000000, 0.0010844300000000 ] - [ 0.0002373600000000, 0.0003666400000000, -0.0010826500000000 ] - [ 0.0001983700000000, 0.0006019400000000, 0.0003099900000000 ] - [ -0.0012271500000000, 0.0006358100000000, -0.0005944300000000 ] - [ -0.0006056100000000, 0.0005211600000000, -0.0002292600000000 ] - [ -0.0007707300000000, 0.0005099300000000, -0.0001186100000000 ] - [ -0.0014332000000000, -0.0007012500000000, 0.0005605700000000 ] - [ 0.0009352500000000, 0.0003399900000000, -0.0001510900000000 ] - [ -0.0003247800000000, -0.0000628500000000, -0.0001247800000000 ] - [ 0.0003032700000000, 0.0000971500000000, 0.0004021900000000 ] - [ -0.0051303000000000, -0.0006291700000000, -0.0015637600000000 ] - [ 0.0042054800000000, -0.0012816700000000, -0.0010521400000000 ] - [ -0.0001824000000000, 0.0001193100000000, -0.0002999400000000 ] - [ 0.0002158600000000, -0.0000142500000000, 0.0000959600000000 ] - [ -0.0056264600000000, -0.0028237400000000, 0.0003615400000000 ] - [ 0.0028513400000000, 0.0009493800000000, -0.0003081900000000 ] - [ -0.0000774700000000, -0.0001420000000000, 0.0000317300000000 ] - [ 0.0004445800000000, 0.0000062500000000, 0.0004579200000000 ] - [ -0.0032349900000000, -0.0008132300000000, -0.0011597500000000 ] - [ 0.0033317700000000, 0.0015534600000000, 0.0002818900000000 ] - [ -0.0000455500000000, 0.0001304700000000, 0.0002920000000000 ] - [ 0.0000246300000000, 0.0001704700000000, 0.0002542000000000 ] - [ -0.0016898000000000, -0.0002521700000000, -0.0005004100000000 ] - [ 0.0008843400000000, 0.0002491700000000, -0.0001854600000000 ] - [ -0.0005161200000000, 0.0001954800000000, -0.0000437900000000 ] - [ 0.0004517800000000, 0.0001495000000000, -0.0003230600000000 ] - [ -0.0036136400000000, -0.0029009600000000, 0.0006316300000000 ] - [ 0.0015896700000000, 0.0009925500000000, -0.0008110400000000 ] - [ -0.0006921400000000, 0.0002545500000000, -0.0002086600000000 ] - [ -0.0004394100000000, 0.0002806100000000, -0.0001348900000000 ] - [ -0.0038263800000000, -0.0000154700000000, 0.0021601000000000 ] - [ 0.0035470800000000, 0.0021000000000000, -0.0018656300000000 ] - [ -0.0000000900000000, 0.0002329600000000, 0.0001325100000000 ] - [ 0.0002680200000000, 0.0003935700000000, 0.0006449800000000 ] - [ 0.0064288300000000, 0.0016992900000000, 0.0041564900000000 ] - [ -0.0089262500000000, 0.0009346600000000, -0.0012728000000000 ] - [ 0.0006178800000000, -0.0002626100000000, 0.0001329300000000 ] - [ 0.0005069400000000, -0.0002529700000000, 0.0003555700000000 ] - [ -0.0019774300000000, -0.0002502400000000, 0.0001497500000000 ] - [ 0.0012727200000000, -0.0002247900000000, -0.0005963000000000 ] - [ -0.0000974700000000, -0.0001573900000000, -0.0002355200000000 ] - [ 0.0001077400000000, -0.0001648800000000, -0.0001684600000000 ] - [ 0.0006607100000000, -0.0014948900000000, -0.0012299900000000 ] - [ 0.0003297100000000, 0.0021918600000000, 0.0006329600000000 ] - [ -0.0001328300000000, -0.0001074700000000, -0.0001081200000000 ] - [ -0.0002162800000000, -0.0000440900000000, -0.0003307300000000 ] - [ -0.0063677700000000, -0.0009210300000000, 0.0021770900000000 ] - [ 0.0035170900000000, -0.0000501000000000, 0.0019644400000000 ] - [ -0.0000272800000000, -0.0004098600000000, 0.0006361400000000 ] - [ 0.0002733100000000, -0.0002595300000000, 0.0002365600000000 ] - [ -0.0112084300000000, -0.0129448100000000, -0.0084792300000000 ] - [ 0.0047574400000000, -0.0009793200000000, -0.0002233800000000 ] - [ 0.0005321000000000, -0.0005433400000000, 0.0001126700000000 ] - [ 0.0008719000000000, -0.0004808000000000, 0.0003600900000000 ] - [ -0.0017338000000000, 0.0008996300000000, -0.0045618000000000 ] - [ 0.0035412600000000, 0.0000919000000000, 0.0027745200000000 ] - [ 0.0002580500000000, 0.0007133400000000, 0.0005454800000000 ] - [ 0.0011677200000000, 0.0004188000000000, 0.0000708700000000 ] - [ 0.0018292800000000, -0.0006647800000000, -0.0016509600000000 ] - [ 0.0009109400000000, 0.0009230200000000, 0.0027389900000000 ] - [ 0.0006987400000000, 0.0000637300000000, 0.0007648100000000 ] - [ 0.0004625700000000, 0.0004144700000000, -0.0002522800000000 ] - [ -0.0011818100000000, 0.0008544000000000, -0.0001256100000000 ] - [ 0.0007789800000000, 0.0000276400000000, -0.0006153400000000 ] - [ -0.0003438400000000, 0.0003360700000000, -0.0004187500000000 ] - [ 0.0000926200000000, 0.0003017400000000, -0.0002690400000000 ] - [ -0.0018137900000000, 0.0026368600000000, -0.0018418200000000 ] - [ 0.0019876300000000, -0.0008377000000000, 0.0009775000000000 ] - [ -0.0000922600000000, 0.0000401300000000, 0.0002489100000000 ] - [ 0.0004261200000000, 0.0000412700000000, 0.0002368200000000 ] - [ 0.0007633800000000, 0.0019028900000000, 0.0014173400000000 ] - [ -0.0003214800000000, -0.0023143400000000, -0.0024160400000000 ] - [ -0.0000529200000000, 0.0001812800000000, -0.0004296800000000 ] - [ -0.0002390400000000, -0.0000216600000000, 0.0000419000000000 ] - [ -0.0000613100000000, 0.0000127700000000, -0.0007149700000000 ] - [ -0.0004635100000000, -0.0020026400000000, 0.0006985100000000 ] - [ -0.0005049600000000, -0.0004896900000000, 0.0000196300000000 ] - [ -0.0008658600000000, -0.0005528200000000, -0.0003966900000000 ] - [ -0.0080158100000000, -0.0002043800000000, 0.0001489900000000 ] - [ 0.0029989000000000, -0.0011240200000000, 0.0009591700000000 ] - [ -0.0001910100000000, 0.0000002300000000, 0.0001956300000000 ] - [ 0.0001359300000000, -0.0000566100000000, 0.0001008500000000 ] - [ -0.0018468200000000, 0.0000627800000000, -0.0004690500000000 ] - [ 0.0009939500000000, -0.0002672300000000, -0.0003265100000000 ] - [ -0.0002756300000000, -0.0003421900000000, -0.0003210700000000 ] - [ 0.0000207200000000, -0.0003039700000000, -0.0003914300000000 ] - [ -0.0011285000000000, 0.0000157700000000, -0.0005813600000000 ] - [ -0.0000655700000000, -0.0003749400000000, 0.0000153700000000 ] - [ -0.0011030500000000, -0.0002666500000000, 0.0000772300000000 ] - [ -0.0000720800000000, -0.0003045900000000, -0.0004012000000000 ] - [ -0.0006052500000000, 0.0003058000000000, 0.0026758800000000 ] - [ 0.0010354300000000, -0.0001670100000000, -0.0011187000000000 ] - [ -0.0001922900000000, 0.0002155000000000, -0.0012839700000000 ] - [ 0.0003977700000000, -0.0002142700000000, 0.0012314100000000 ] - [ -0.0025099800000000, -0.0016211300000000, -0.0015082200000000 ] - [ 0.0015504200000000, 0.0005389800000000, 0.0005050000000000 ] - [ -0.0001671400000000, -0.0000689200000000, -0.0000499500000000 ] - [ 0.0002214600000000, -0.0000330600000000, -0.0001200000000000 ]- atom: 1 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0151177800000000, -0.0726319800000000, -0.0238595500000000 ] - [ -0.0003976800000000, -0.0051927000000000, -0.0016817000000000 ] - [ -0.0003212400000000, -0.0009703900000000, 0.0002336400000000 ] - [ -0.0003512200000000, -0.0008693300000000, 0.0002330500000000 ] - [ -0.0002071700000000, -0.0014305100000000, -0.0030131200000000 ] - [ -0.0004634500000000, -0.0002895300000000, -0.0002604600000000 ] - [ -0.0003643500000000, -0.0014261100000000, 0.0044624100000000 ] - [ -0.0002939800000000, -0.0002869000000000, 0.0012290600000000 ] - [ 0.0006687400000000, 0.0030298500000000, -0.0002308200000000 ] - [ 0.0002206100000000, 0.0019796100000000, -0.0000747500000000 ] - [ 0.0002702700000000, 0.0009470500000000, 0.0000990400000000 ] - [ 0.0005092300000000, 0.0003822800000000, 0.0000308700000000 ] - [ 0.0058561400000000, 0.0127351500000000, 0.0024958100000000 ] - [ -0.0030153400000000, 0.0044913700000000, 0.0010059900000000 ] - [ 0.0004074000000000, 0.0008363600000000, 0.0001134200000000 ] - [ 0.0003139800000000, 0.0008422100000000, 0.0001081100000000 ] - [ -0.0029500100000000, 0.0023287800000000, -0.0053108800000000 ] - [ 0.0028948200000000, 0.0003001500000000, -0.0022716800000000 ] - [ 0.0004759600000000, -0.0003233700000000, -0.0005019400000000 ] - [ 0.0005831100000000, -0.0003323800000000, -0.0005007600000000 ] - [ 0.0028411000000000, -0.0030744500000000, -0.0039621700000000 ] - [ -0.0016128500000000, -0.0011825300000000, -0.0018889700000000 ] - [ 0.0005891800000000, 0.0001827400000000, -0.0002846800000000 ] - [ 0.0004688600000000, 0.0002142800000000, -0.0004508500000000 ] - [ -0.0016482300000000, 0.0013351400000000, 0.0043933000000000 ] - [ -0.0000860800000000, -0.0002292300000000, 0.0013087100000000 ] - [ -0.0005510500000000, -0.0004563000000000, -0.0002385000000000 ] - [ -0.0005157800000000, -0.0003981800000000, 0.0004985400000000 ] - [ -0.0003442300000000, 0.0072300800000000, 0.0021811300000000 ] - [ -0.0008756600000000, 0.0016579600000000, 0.0007054900000000 ] - [ -0.0005054800000000, 0.0004742900000000, 0.0007656600000000 ] - [ -0.0005148200000000, 0.0004311400000000, 0.0008115900000000 ] - [ -0.0099064200000000, 0.0034124800000000, 0.0115191500000000 ] - [ 0.0123526800000000, 0.0037687600000000, 0.0061933900000000 ] - [ 0.0001134600000000, -0.0004003500000000, -0.0001568800000000 ] - [ 0.0003763400000000, -0.0003812400000000, -0.0001373300000000 ] - [ -0.0004848000000000, 0.0084581500000000, -0.0026972600000000 ] - [ -0.0002794700000000, 0.0026496200000000, -0.0005943000000000 ] - [ -0.0002140900000000, 0.0012365300000000, 0.0005047100000000 ] - [ -0.0001851500000000, 0.0008503500000000, 0.0003493000000000 ] - [ -0.0049548600000000, 0.0136652500000000, -0.0145320500000000 ] - [ 0.0006572200000000, 0.0003587500000000, -0.0015373900000000 ] - [ -0.0003698600000000, -0.0001532000000000, 0.0008746500000000 ] - [ -0.0001523900000000, -0.0002090700000000, 0.0005295100000000 ] - [ 0.0076735000000000, -0.0102999100000000, 0.0075599900000000 ] - [ -0.0029451700000000, -0.0030695900000000, 0.0039849400000000 ] - [ 0.0003628000000000, -0.0004818000000000, -0.0001017400000000 ] - [ 0.0001211200000000, -0.0004710300000000, -0.0002226100000000 ] - [ -0.0012699600000000, -0.0016494600000000, -0.0005766500000000 ] - [ -0.0015202500000000, -0.0020443000000000, -0.0005208800000000 ] - [ -0.0007437100000000, 0.0003274100000000, -0.0003179900000000 ] - [ -0.0007543600000000, 0.0002811000000000, -0.0003356200000000 ] - [ 0.0004375200000000, -0.0014717600000000, 0.0015965100000000 ] - [ -0.0002614300000000, -0.0004056500000000, 0.0005017100000000 ] - [ -0.0000235100000000, -0.0004335700000000, -0.0002942200000000 ] - [ -0.0001457400000000, -0.0002875800000000, -0.0001161200000000 ] - [ 0.0000105600000000, 0.0114061900000000, 0.0057689900000000 ] - [ 0.0007524400000000, 0.0003790200000000, -0.0003898000000000 ] - [ -0.0000390800000000, 0.0002064400000000, -0.0000279100000000 ] - [ 0.0000697400000000, 0.0001408300000000, -0.0000749900000000 ] - [ 0.0014450700000000, 0.0050267400000000, 0.0012699200000000 ] - [ -0.0002815600000000, 0.0011197900000000, 0.0007897700000000 ] - [ 0.0002032000000000, 0.0000983500000000, 0.0000028100000000 ] - [ 0.0001329700000000, 0.0000355500000000, 0.0000484300000000 ] - [ 0.0015784100000000, 0.0039979100000000, -0.0017981600000000 ] - [ -0.0032595200000000, 0.0001642100000000, 0.0011909100000000 ] - [ 0.0000064600000000, 0.0001888500000000, 0.0001451100000000 ] - [ -0.0000274300000000, 0.0001886500000000, 0.0001347000000000 ] - [ -0.0002501700000000, -0.0013246400000000, 0.0027543600000000 ] - [ -0.0000727800000000, -0.0000294600000000, 0.0002861500000000 ] - [ 0.0000292200000000, -0.0001384800000000, -0.0011819600000000 ] - [ -0.0000315200000000, 0.0000218300000000, -0.0006163000000000 ] - [ 0.0034683200000000, -0.0069033100000000, 0.0011738100000000 ] - [ -0.0016221000000000, -0.0000975100000000, 0.0002879000000000 ] - [ -0.0005386200000000, 0.0002244400000000, -0.0003159400000000 ] - [ -0.0005617200000000, 0.0002366000000000, -0.0003193400000000 ] - [ 0.0007024200000000, 0.0079412500000000, 0.0008428700000000 ] - [ 0.0004332700000000, 0.0023620400000000, 0.0002906600000000 ] - [ 0.0002940000000000, 0.0007354700000000, 0.0000841700000000 ] - [ 0.0001753700000000, 0.0006407900000000, 0.0002004700000000 ] - [ -0.0028465500000000, 0.0041186600000000, -0.0002813900000000 ] - [ -0.0009813400000000, 0.0045207000000000, 0.0004334000000000 ] - [ 0.0005661800000000, -0.0001293900000000, 0.0001113700000000 ] - [ 0.0005762100000000, -0.0001337800000000, 0.0001563500000000 ] - [ 0.0003108100000000, -0.0046912600000000, 0.0007556100000000 ] - [ 0.0001068500000000, -0.0013488600000000, 0.0001048200000000 ] - [ 0.0000396900000000, -0.0003413100000000, -0.0003719100000000 ] - [ 0.0000295900000000, -0.0002752600000000, -0.0003705700000000 ] - [ 0.0012300700000000, -0.0027381500000000, -0.0013065800000000 ] - [ -0.0014669100000000, -0.0038975700000000, -0.0012358700000000 ] - [ -0.0001464400000000, -0.0002054500000000, -0.0002561100000000 ] - [ -0.0002062200000000, -0.0001854400000000, -0.0002345400000000 ] - [ -0.0002025200000000, 0.0058387800000000, -0.0000228000000000 ] - [ -0.0016534500000000, 0.0021370500000000, -0.0002478000000000 ] - [ 0.0001916100000000, -0.0000137000000000, 0.0003876800000000 ] - [ 0.0000810600000000, -0.0001059300000000, 0.0003350800000000 ] - [ 0.0115091100000000, 0.0189943900000000, 0.0116788400000000 ] - [ 0.0036809000000000, 0.0007179500000000, -0.0001896200000000 ] - [ 0.0006949200000000, -0.0004433000000000, 0.0002414400000000 ] - [ 0.0007336700000000, -0.0004594000000000, 0.0002140500000000 ] - [ 0.0006403900000000, 0.0033000600000000, -0.0011024800000000 ] - [ 0.0005345000000000, 0.0018040800000000, -0.0003532600000000 ] - [ 0.0004467500000000, 0.0013155400000000, 0.0001636900000000 ] - [ 0.0005520300000000, 0.0009360100000000, 0.0000685900000000 ] - [ 0.0015302000000000, 0.0002347200000000, -0.0011354600000000 ] - [ -0.0007595000000000, 0.0000465700000000, -0.0026398900000000 ] - [ 0.0007133500000000, 0.0003544300000000, 0.0004962800000000 ] - [ 0.0002817200000000, 0.0003721700000000, 0.0005702100000000 ] - [ 0.0003539100000000, -0.0028712800000000, -0.0009600400000000 ] - [ 0.0000414000000000, -0.0006489900000000, -0.0006237900000000 ] - [ -0.0000993000000000, -0.0001951600000000, -0.0002062700000000 ] - [ -0.0000877400000000, 0.0000518100000000, -0.0003916600000000 ] - [ -0.0009990500000000, -0.0034128400000000, 0.0042074600000000 ] - [ 0.0010919600000000, -0.0004458600000000, 0.0010817300000000 ] - [ 0.0001030800000000, -0.0001272800000000, -0.0001553100000000 ] - [ 0.0001834600000000, -0.0000370900000000, 0.0000122100000000 ] - [ -0.0024585700000000, -0.0006990800000000, -0.0017264100000000 ] - [ 0.0010708000000000, -0.0002494100000000, -0.0015436600000000 ] - [ -0.0002240900000000, 0.0001734900000000, -0.0000987200000000 ] - [ -0.0000307900000000, 0.0001939200000000, 0.0000558800000000 ] - [ -0.0015881300000000, -0.0015930400000000, 0.0007116400000000 ] - [ 0.0011468100000000, -0.0025861600000000, 0.0018806400000000 ] - [ -0.0007076200000000, -0.0006880900000000, -0.0003988900000000 ] - [ -0.0005918600000000, -0.0007023800000000, -0.0003949400000000 ] - [ 0.0024459600000000, 0.0052852700000000, -0.0006498000000000 ] - [ 0.0009724200000000, 0.0001394600000000, 0.0005989700000000 ] - [ -0.0000581200000000, 0.0000176100000000, -0.0001330000000000 ] - [ -0.0000340800000000, -0.0000074300000000, -0.0000464200000000 ] - [ -0.0007737800000000, -0.0052098900000000, 0.0008671900000000 ] - [ -0.0002215700000000, -0.0015947400000000, -0.0000365100000000 ] - [ -0.0001620600000000, -0.0005907000000000, -0.0005508800000000 ] - [ -0.0001604000000000, -0.0004823900000000, -0.0004904600000000 ] - [ -0.0006270400000000, -0.0015471200000000, 0.0004494600000000 ] - [ -0.0005692300000000, -0.0007339000000000, -0.0001011200000000 ] - [ -0.0006186900000000, -0.0010285600000000, -0.0004889900000000 ] - [ -0.0005778100000000, -0.0006743800000000, -0.0003622600000000 ] - [ -0.0003732400000000, 0.0018610800000000, -0.0011251700000000 ] - [ 0.0003162600000000, 0.0003848700000000, -0.0002331100000000 ] - [ -0.0000922300000000, 0.0009263600000000, 0.0004661400000000 ] - [ 0.0002952000000000, 0.0004697200000000, 0.0005177300000000 ] - [ 0.0008324300000000, -0.0024100400000000, -0.0034618100000000 ] - [ -0.0005487300000000, -0.0006248700000000, -0.0007887800000000 ] - [ 0.0001227300000000, -0.0001551000000000, 0.0000842400000000 ] - [ -0.0000224100000000, -0.0000862000000000, -0.0000988400000000 ]- atom: 1 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0144917800000000, 0.0712385200000000, 0.0232186500000000 ] - [ -0.0003194900000000, 0.0039539200000000, 0.0016762700000000 ] - [ -0.0003917200000000, -0.0002579500000000, -0.0002226600000000 ] - [ -0.0003615200000000, -0.0003589400000000, -0.0002220800000000 ] - [ -0.0005103700000000, 0.0026288500000000, 0.0030384100000000 ] - [ -0.0002488500000000, 0.0015076700000000, 0.0002749500000000 ] - [ -0.0003537300000000, 0.0026332500000000, -0.0044589200000000 ] - [ -0.0004177800000000, 0.0015104500000000, -0.0012207800000000 ] - [ 0.0000375800000000, -0.0042570600000000, 0.0002354100000000 ] - [ 0.0004979000000000, -0.0032079900000000, 0.0000736000000000 ] - [ 0.0004392000000000, -0.0021741500000000, -0.0001172400000000 ] - [ 0.0002063200000000, -0.0016092100000000, -0.0000446200000000 ] - [ -0.0052101400000000, -0.0115563300000000, -0.0025316900000000 ] - [ 0.0037597600000000, -0.0032480600000000, -0.0010261100000000 ] - [ 0.0003054100000000, 0.0003935600000000, -0.0001202000000000 ] - [ 0.0003992200000000, 0.0003873900000000, -0.0001150200000000 ] - [ 0.0039450600000000, -0.0030327600000000, 0.0037628700000000 ] - [ -0.0018588400000000, -0.0010063900000000, 0.0007509500000000 ] - [ 0.0005469600000000, -0.0003727500000000, -0.0010118000000000 ] - [ 0.0004396100000000, -0.0003634900000000, -0.0010129700000000 ] - [ -0.0018172400000000, 0.0037946200000000, 0.0024457700000000 ] - [ 0.0026288900000000, 0.0018846900000000, 0.0003679100000000 ] - [ 0.0004347100000000, 0.0005135400000000, -0.0012265100000000 ] - [ 0.0005539200000000, 0.0004818300000000, -0.0010604900000000 ] - [ 0.0006282400000000, -0.0020193000000000, -0.0028943900000000 ] - [ -0.0009383000000000, -0.0004584900000000, 0.0002071200000000 ] - [ -0.0004715600000000, -0.0002351800000000, 0.0017551400000000 ] - [ -0.0005075700000000, -0.0002948800000000, 0.0010166600000000 ] - [ -0.0006711500000000, -0.0065048000000000, -0.0006438700000000 ] - [ -0.0001488300000000, -0.0009652100000000, 0.0008095900000000 ] - [ -0.0005173500000000, 0.0002198500000000, 0.0007488800000000 ] - [ -0.0005078500000000, 0.0002631100000000, 0.0007028900000000 ] - [ 0.0102775300000000, -0.0040631200000000, -0.0114007500000000 ] - [ -0.0118756700000000, -0.0043815900000000, -0.0061147900000000 ] - [ 0.0003153100000000, -0.0002051900000000, 0.0002115400000000 ] - [ 0.0000522600000000, -0.0002238600000000, 0.0001909800000000 ] - [ 0.0000621900000000, -0.0078448300000000, 0.0026021100000000 ] - [ -0.0001554400000000, -0.0020548800000000, 0.0005341400000000 ] - [ -0.0002146200000000, -0.0006366500000000, -0.0005492300000000 ] - [ -0.0002437400000000, -0.0002499600000000, -0.0003966100000000 ] - [ 0.0045626600000000, -0.0143080600000000, 0.0146460100000000 ] - [ -0.0010913700000000, -0.0009454600000000, 0.0014865000000000 ] - [ -0.0000580800000000, -0.0004438700000000, -0.0009247900000000 ] - [ -0.0002767400000000, -0.0003894300000000, -0.0005787500000000 ] - [ -0.0072299300000000, 0.0109834900000000, -0.0074632700000000 ] - [ 0.0033368400000000, 0.0037061600000000, -0.0038808500000000 ] - [ 0.0000670200000000, 0.0010856100000000, 0.0001506200000000 ] - [ 0.0003067400000000, 0.0010745200000000, 0.0002725800000000 ] - [ -0.0001063500000000, 0.0026922700000000, 0.0001797700000000 ] - [ 0.0001242800000000, 0.0030795400000000, 0.0001219900000000 ] - [ -0.0006438100000000, 0.0007099400000000, -0.0000888600000000 ] - [ -0.0006337100000000, 0.0007562000000000, -0.0000716800000000 ] - [ -0.0004833300000000, 0.0015500500000000, -0.0013573100000000 ] - [ 0.0002076800000000, 0.0004807800000000, -0.0002735200000000 ] - [ -0.0000283200000000, 0.0005075700000000, 0.0005173300000000 ] - [ 0.0000935400000000, 0.0003604200000000, 0.0003402900000000 ] - [ -0.0001155400000000, -0.0117010400000000, -0.0064302700000000 ] - [ -0.0006898800000000, -0.0003216100000000, 0.0001594300000000 ] - [ 0.0000906500000000, -0.0001360400000000, -0.0001977700000000 ] - [ -0.0000182100000000, -0.0000699800000000, -0.0001508800000000 ] - [ -0.0010484600000000, -0.0052452900000000, -0.0006900100000000 ] - [ 0.0006423700000000, -0.0012559500000000, -0.0003008200000000 ] - [ 0.0001582200000000, -0.0002284500000000, 0.0004810900000000 ] - [ 0.0002287000000000, -0.0001650700000000, 0.0004362500000000 ] - [ -0.0018634100000000, -0.0032774300000000, 0.0023014300000000 ] - [ 0.0032316600000000, 0.0001548300000000, -0.0007149400000000 ] - [ -0.0000215900000000, 0.0001210900000000, 0.0003270200000000 ] - [ 0.0000124100000000, 0.0001211900000000, 0.0003374400000000 ] - [ 0.0002624500000000, 0.0016281200000000, -0.0032372400000000 ] - [ 0.0000878800000000, 0.0003354600000000, -0.0007591200000000 ] - [ -0.0000150200000000, 0.0004442500000000, 0.0007103200000000 ] - [ 0.0000468300000000, 0.0002849200000000, 0.0001426700000000 ] - [ -0.0046252100000000, 0.0074599900000000, -0.0015985800000000 ] - [ 0.0005123600000000, 0.0006201300000000, -0.0006927600000000 ] - [ -0.0005779900000000, 0.0003052600000000, -0.0000897000000000 ] - [ -0.0005548200000000, 0.0002933700000000, -0.0000857600000000 ] - [ -0.0004905600000000, -0.0072616800000000, -0.0001352100000000 ] - [ -0.0001701700000000, -0.0016981000000000, 0.0004697500000000 ] - [ -0.0000413900000000, -0.0000860400000000, 0.0006832700000000 ] - [ 0.0000776200000000, 0.0000086300000000, 0.0005665300000000 ] - [ 0.0039307300000000, -0.0046822500000000, 0.0006701100000000 ] - [ 0.0021713000000000, -0.0050594500000000, -0.0000657300000000 ] - [ 0.0005506600000000, -0.0004017400000000, 0.0002925700000000 ] - [ 0.0005409700000000, -0.0003973600000000, 0.0002476800000000 ] - [ -0.0002942600000000, 0.0043658000000000, -0.0012114900000000 ] - [ -0.0000923100000000, 0.0010417300000000, -0.0005757200000000 ] - [ -0.0000244900000000, 0.0000326100000000, -0.0001025100000000 ] - [ -0.0000142500000000, -0.0000336200000000, -0.0001034700000000 ] - [ -0.0015846200000000, 0.0026127800000000, 0.0008171200000000 ] - [ 0.0010943300000000, 0.0037763700000000, 0.0007414000000000 ] - [ -0.0002155400000000, 0.0000791700000000, -0.0002301300000000 ] - [ -0.0001560500000000, 0.0000590100000000, -0.0002515700000000 ] - [ 0.0004373500000000, -0.0064582000000000, 0.0007908900000000 ] - [ 0.0019049100000000, -0.0027763200000000, 0.0010184800000000 ] - [ 0.0000604500000000, -0.0006344200000000, 0.0003772200000000 ] - [ 0.0001714500000000, -0.0005420100000000, 0.0004303800000000 ] - [ -0.0094916800000000, -0.0193944600000000, -0.0106802300000000 ] - [ -0.0022856800000000, -0.0017415900000000, 0.0005926200000000 ] - [ 0.0006924000000000, -0.0005935200000000, 0.0001631000000000 ] - [ 0.0006534400000000, -0.0005774400000000, 0.0001904700000000 ] - [ 0.0007539800000000, -0.0022695500000000, 0.0014797600000000 ] - [ 0.0008453700000000, -0.0007682500000000, 0.0007500100000000 ] - [ 0.0009409900000000, -0.0002779400000000, 0.0002434200000000 ] - [ 0.0008348000000000, 0.0001014800000000, 0.0003374500000000 ] - [ -0.0004156600000000, 0.0003071000000000, 0.0015431000000000 ] - [ 0.0018747900000000, 0.0004883000000000, 0.0030421700000000 ] - [ 0.0004035000000000, 0.0001792700000000, -0.0000942600000000 ] - [ 0.0008362800000000, 0.0001618900000000, -0.0001661200000000 ] - [ -0.0006046600000000, 0.0035182100000000, 0.0002069600000000 ] - [ -0.0002942100000000, 0.0012950500000000, -0.0001399100000000 ] - [ -0.0001531400000000, 0.0008434900000000, -0.0005636800000000 ] - [ -0.0001648300000000, 0.0005966700000000, -0.0003771400000000 ] - [ 0.0013487500000000, 0.0035459900000000, -0.0036892400000000 ] - [ -0.0007283200000000, 0.0005824200000000, -0.0005918500000000 ] - [ 0.0002588200000000, 0.0002570400000000, 0.0006407500000000 ] - [ 0.0001775100000000, 0.0001659100000000, 0.0004730700000000 ] - [ 0.0020993900000000, 0.0008139300000000, 0.0012426800000000 ] - [ -0.0014409500000000, 0.0003561400000000, 0.0010590100000000 ] - [ -0.0001383100000000, -0.0000472200000000, -0.0003879900000000 ] - [ -0.0003316400000000, -0.0000678800000000, -0.0005427700000000 ] - [ 0.0002050700000000, 0.0005516700000000, -0.0011186300000000 ] - [ -0.0025413500000000, 0.0015406000000000, -0.0023012400000000 ] - [ -0.0006790900000000, -0.0003513700000000, -0.0000065400000000 ] - [ -0.0007954800000000, -0.0003370600000000, -0.0000104900000000 ] - [ -0.0027209200000000, -0.0058010800000000, 0.0011513400000000 ] - [ -0.0010228100000000, -0.0002216000000000, -0.0003709700000000 ] - [ 0.0000065200000000, -0.0000906900000000, 0.0003576800000000 ] - [ -0.0000172500000000, -0.0000653100000000, 0.0002709800000000 ] - [ 0.0005286100000000, 0.0045659000000000, -0.0016500800000000 ] - [ -0.0000323700000000, 0.0009431000000000, -0.0007318100000000 ] - [ -0.0000911000000000, -0.0000587900000000, -0.0002159900000000 ] - [ -0.0000925100000000, -0.0001668900000000, -0.0002767800000000 ] - [ -0.0004916300000000, 0.0010159600000000, -0.0008458800000000 ] - [ -0.0005465500000000, 0.0002048200000000, -0.0003006700000000 ] - [ -0.0004984500000000, 0.0004991500000000, 0.0000787600000000 ] - [ -0.0005375600000000, 0.0001446400000000, -0.0000448000000000 ] - [ 0.0003578400000000, -0.0021785700000000, 0.0015916000000000 ] - [ -0.0003268800000000, -0.0006966400000000, 0.0007005200000000 ] - [ 0.0000759600000000, -0.0012392400000000, 0.0000113300000000 ] - [ -0.0003093100000000, -0.0007795800000000, -0.0000430800000000 ] - [ -0.0007697700000000, 0.0023438900000000, 0.0032131600000000 ] - [ 0.0005981900000000, 0.0005577000000000, 0.0005613900000000 ] - [ -0.0000709600000000, 0.0000870500000000, -0.0003104800000000 ] - [ 0.0000741200000000, 0.0000166800000000, -0.0001272000000000 ]- atom: 1 displacement: [ -0.0002094772357658, 0.0000000000000000, 0.0099978057236424 ] forces: - [ -0.0102835500000000, -0.0236804300000000, -0.0752971700000000 ] - [ -0.0005507700000000, -0.0022924300000000, -0.0069118800000000 ] - [ -0.0003240500000000, -0.0003868000000000, 0.0036804200000000 ] - [ -0.0002200500000000, -0.0003866300000000, 0.0029346500000000 ] - [ -0.0008529200000000, -0.0038260900000000, 0.0084734500000000 ] - [ 0.0000711900000000, -0.0006079800000000, 0.0015278900000000 ] - [ 0.0000834800000000, 0.0036586600000000, 0.0085392500000000 ] - [ -0.0004597700000000, 0.0008809800000000, 0.0015076600000000 ] - [ -0.0006745600000000, -0.0003736500000000, 0.0008367400000000 ] - [ 0.0014711100000000, -0.0005434900000000, 0.0007122000000000 ] - [ 0.0010143600000000, -0.0007240300000000, 0.0016612700000000 ] - [ -0.0002040000000000, -0.0006489000000000, 0.0011109400000000 ] - [ 0.0010380100000000, 0.0030191300000000, -0.0084062600000000 ] - [ -0.0000304100000000, 0.0017068100000000, -0.0048392200000000 ] - [ 0.0003635300000000, 0.0007288300000000, 0.0028973700000000 ] - [ 0.0005202300000000, 0.0007256900000000, 0.0026438500000000 ] - [ 0.0028105400000000, -0.0043673600000000, -0.0036410900000000 ] - [ -0.0011286300000000, -0.0014864600000000, -0.0028821600000000 ] - [ 0.0003774300000000, -0.0002325600000000, 0.0006148500000000 ] - [ 0.0007312200000000, -0.0002801600000000, 0.0004661200000000 ] - [ -0.0041886800000000, -0.0031370900000000, 0.0021222600000000 ] - [ 0.0047065200000000, -0.0006604400000000, -0.0001671800000000 ] - [ 0.0009310900000000, 0.0007375000000000, 0.0012425200000000 ] - [ 0.0001847000000000, 0.0005848800000000, 0.0006363900000000 ] - [ -0.0015978500000000, 0.0032820800000000, 0.0034820700000000 ] - [ 0.0000385900000000, 0.0003659200000000, 0.0008214400000000 ] - [ -0.0004130500000000, -0.0008152600000000, 0.0024830600000000 ] - [ -0.0005765400000000, -0.0005632000000000, 0.0014385100000000 ] - [ -0.0008700000000000, 0.0026274900000000, -0.0016612900000000 ] - [ -0.0006775300000000, 0.0007989400000000, -0.0006795500000000 ] - [ -0.0005634200000000, 0.0002043400000000, 0.0020568900000000 ] - [ -0.0004222400000000, 0.0002401500000000, 0.0018172300000000 ] - [ -0.0087117800000000, 0.0112829400000000, -0.0042331100000000 ] - [ 0.0091750700000000, 0.0044496100000000, -0.0009557200000000 ] - [ 0.0007612200000000, -0.0007297400000000, 0.0036539200000000 ] - [ -0.0001771100000000, -0.0005539600000000, 0.0033618500000000 ] - [ -0.0003752100000000, -0.0032699700000000, -0.0028452900000000 ] - [ 0.0001849800000000, -0.0004533900000000, -0.0022032800000000 ] - [ 0.0000289500000000, 0.0009164200000000, 0.0029950200000000 ] - [ -0.0002003500000000, 0.0006795900000000, 0.0023274700000000 ] - [ 0.0012594100000000, -0.0167623200000000, -0.0017409100000000 ] - [ -0.0011240800000000, -0.0012784700000000, -0.0031114100000000 ] - [ -0.0004343500000000, 0.0002200500000000, 0.0036035100000000 ] - [ 0.0001619200000000, -0.0000426900000000, 0.0026665800000000 ] - [ 0.0183330100000000, 0.0074904300000000, 0.0081995600000000 ] - [ -0.0100183300000000, 0.0032920400000000, 0.0012804200000000 ] - [ -0.0008124700000000, -0.0002867600000000, 0.0044536700000000 ] - [ 0.0013759600000000, -0.0001870500000000, 0.0036991400000000 ] - [ -0.0007400000000000, 0.0007472000000000, 0.0008278700000000 ] - [ 0.0001104400000000, 0.0013921700000000, 0.0012432000000000 ] - [ -0.0008075300000000, 0.0002838000000000, -0.0010819200000000 ] - [ -0.0010449500000000, 0.0002094700000000, -0.0011970700000000 ] - [ -0.0002981500000000, 0.0019710600000000, 0.0000306300000000 ] - [ 0.0002229500000000, 0.0005478200000000, 0.0004573700000000 ] - [ 0.0000275300000000, -0.0005509500000000, -0.0011175900000000 ] - [ -0.0002452700000000, -0.0001859000000000, -0.0007472600000000 ] - [ 0.0009298600000000, 0.0061982300000000, 0.0113127700000000 ] - [ 0.0011675100000000, -0.0006206300000000, 0.0010052900000000 ] - [ -0.0000506600000000, 0.0002163600000000, -0.0017008200000000 ] - [ -0.0001923400000000, 0.0001297700000000, -0.0012639400000000 ] - [ 0.0004450900000000, 0.0030822400000000, 0.0056830100000000 ] - [ 0.0018091200000000, 0.0007470600000000, 0.0014888500000000 ] - [ 0.0001309400000000, -0.0002810200000000, -0.0012218500000000 ] - [ -0.0002009600000000, -0.0001911200000000, -0.0008697400000000 ] - [ 0.0000766000000000, -0.0006363600000000, 0.0088079200000000 ] - [ -0.0017659000000000, 0.0002151800000000, 0.0038942400000000 ] - [ 0.0001165800000000, 0.0001708200000000, -0.0014192500000000 ] - [ 0.0001298400000000, 0.0001516800000000, -0.0011557500000000 ] - [ 0.0007707800000000, 0.0022910400000000, -0.0019665000000000 ] - [ -0.0000438100000000, 0.0003743900000000, -0.0001120300000000 ] - [ 0.0001688600000000, -0.0005422000000000, -0.0019973800000000 ] - [ 0.0000379600000000, -0.0001219700000000, -0.0010971100000000 ] - [ -0.0017924900000000, 0.0017123500000000, 0.0058435400000000 ] - [ -0.0008853800000000, 0.0003047200000000, 0.0020984000000000 ] - [ -0.0003309800000000, 0.0001274600000000, -0.0015949000000000 ] - [ -0.0004016900000000, 0.0001659000000000, -0.0014314600000000 ] - [ -0.0015525600000000, 0.0004596700000000, 0.0029558500000000 ] - [ 0.0020198400000000, 0.0012665000000000, 0.0011262400000000 ] - [ 0.0004084800000000, 0.0003483500000000, -0.0014412000000000 ] - [ -0.0000903000000000, 0.0002929900000000, -0.0008533000000000 ] - [ -0.0043965400000000, -0.0005221400000000, 0.0061100600000000 ] - [ -0.0006490100000000, 0.0004229200000000, 0.0060069700000000 ] - [ 0.0008637300000000, -0.0002993400000000, -0.0012622400000000 ] - [ 0.0006565900000000, -0.0003053500000000, -0.0013375000000000 ] - [ -0.0003134500000000, 0.0000850500000000, 0.0028419900000000 ] - [ -0.0002056800000000, -0.0002204200000000, 0.0015243900000000 ] - [ 0.0001576100000000, -0.0002315000000000, -0.0017253500000000 ] - [ 0.0001096800000000, -0.0001992500000000, -0.0014518200000000 ] - [ 0.0005539800000000, -0.0008147600000000, 0.0009774400000000 ] - [ -0.0011778900000000, -0.0020197500000000, 0.0003390900000000 ] - [ -0.0004541200000000, 0.0000760900000000, -0.0012289900000000 ] - [ -0.0002107400000000, 0.0000654000000000, -0.0011862200000000 ] - [ -0.0020657700000000, -0.0019364200000000, 0.0109343100000000 ] - [ -0.0023253000000000, -0.0003189700000000, 0.0012990300000000 ] - [ -0.0000734000000000, -0.0001972200000000, -0.0014502400000000 ] - [ 0.0003066900000000, -0.0003453300000000, -0.0008332300000000 ] - [ 0.0081208700000000, 0.0108184300000000, 0.0116117000000000 ] - [ 0.0029611800000000, -0.0006219700000000, 0.0025791600000000 ] - [ 0.0005312600000000, -0.0006918100000000, -0.0010440300000000 ] - [ 0.0003008700000000, -0.0007175400000000, -0.0009371500000000 ] - [ 0.0049095800000000, -0.0002561800000000, -0.0041184200000000 ] - [ -0.0015692800000000, 0.0003929000000000, -0.0004290300000000 ] - [ -0.0002462000000000, 0.0010563100000000, -0.0017374000000000 ] - [ 0.0009695900000000, 0.0007020200000000, -0.0007896100000000 ] - [ 0.0027293900000000, -0.0012439300000000, -0.0012601300000000 ] - [ -0.0010176300000000, -0.0007624400000000, -0.0010249100000000 ] - [ 0.0001397300000000, 0.0007692800000000, -0.0012605200000000 ] - [ 0.0015625200000000, 0.0008641200000000, -0.0013705100000000 ] - [ -0.0001190800000000, -0.0011120200000000, 0.0002775700000000 ] - [ -0.0001614600000000, -0.0000296500000000, 0.0002887600000000 ] - [ -0.0000432400000000, 0.0003956900000000, -0.0015649100000000 ] - [ -0.0001221000000000, 0.0002715500000000, -0.0012144000000000 ] - [ 0.0014615300000000, 0.0045961400000000, 0.0001043900000000 ] - [ -0.0006180500000000, 0.0011243400000000, 0.0010514700000000 ] - [ -0.0001524800000000, -0.0003997600000000, -0.0011308100000000 ] - [ 0.0001691000000000, -0.0001349100000000, -0.0006751000000000 ] - [ -0.0025481300000000, -0.0020570700000000, -0.0004134000000000 ] - [ 0.0015611000000000, -0.0021021600000000, 0.0000363400000000 ] - [ 0.0000026000000000, 0.0004581300000000, -0.0012686500000000 ] - [ -0.0005847500000000, 0.0004009800000000, -0.0013902800000000 ] - [ 0.0003307800000000, -0.0000814600000000, 0.0003635900000000 ] - [ -0.0021787600000000, 0.0021144800000000, -0.0000814000000000 ] - [ -0.0011082500000000, -0.0005005700000000, -0.0011514200000000 ] - [ -0.0005992300000000, -0.0006268000000000, -0.0011072000000000 ] - [ -0.0010515600000000, -0.0006182700000000, 0.0084087400000000 ] - [ -0.0004432200000000, 0.0003369700000000, 0.0022432200000000 ] - [ -0.0001677000000000, -0.0001610200000000, -0.0013077800000000 ] - [ -0.0001122400000000, -0.0001275600000000, -0.0009934600000000 ] - [ 0.0000102300000000, 0.0007454500000000, 0.0011246600000000 ] - [ -0.0002072800000000, -0.0005041400000000, 0.0007906500000000 ] - [ -0.0001386500000000, -0.0003817300000000, -0.0016210800000000 ] - [ -0.0001598500000000, -0.0003098500000000, -0.0013559000000000 ] - [ -0.0000595400000000, 0.0003792500000000, -0.0008284400000000 ] - [ -0.0007152300000000, -0.0001082400000000, -0.0001915000000000 ] - [ -0.0006842000000000, -0.0005025100000000, -0.0011364100000000 ] - [ -0.0002868400000000, -0.0004227800000000, -0.0008669400000000 ] - [ -0.0011759900000000, -0.0011083400000000, -0.0036846500000000 ] - [ 0.0014239400000000, -0.0003631800000000, -0.0008468500000000 ] - [ 0.0010469800000000, 0.0005491300000000, -0.0028869300000000 ] - [ -0.0006424200000000, -0.0000567800000000, -0.0010704600000000 ] - [ 0.0007539500000000, -0.0029830800000000, -0.0002856000000000 ] - [ -0.0005156700000000, -0.0005297800000000, 0.0003802000000000 ] - [ -0.0002777200000000, 0.0005206300000000, -0.0016199500000000 ] - [ 0.0000849400000000, 0.0001895100000000, -0.0010316900000000 ]- atom: 1 displacement: [ 0.0002094772357658, 0.0000000000000000, -0.0099978057236424 ] forces: - [ 0.0100784500000000, 0.0227655100000000, 0.0748998600000000 ] - [ -0.0001714900000000, 0.0010635000000000, 0.0069176400000000 ] - [ -0.0003886600000000, -0.0008413600000000, -0.0036742800000000 ] - [ -0.0004935300000000, -0.0008412500000000, -0.0029278800000000 ] - [ 0.0001359000000000, 0.0050932000000000, -0.0085139000000000 ] - [ -0.0007848600000000, 0.0018382400000000, -0.0015098000000000 ] - [ -0.0007940500000000, -0.0023984700000000, -0.0084887300000000 ] - [ -0.0002564900000000, 0.0003500700000000, -0.0015089300000000 ] - [ 0.0013854300000000, -0.0008529400000000, -0.0008584800000000 ] - [ -0.0007579600000000, -0.0006858700000000, -0.0007329400000000 ] - [ -0.0003042900000000, -0.0005039500000000, -0.0016651700000000 ] - [ 0.0009199000000000, -0.0005793800000000, -0.0011132800000000 ] - [ -0.0003155400000000, -0.0017753700000000, 0.0084227100000000 ] - [ 0.0007344900000000, -0.0004664800000000, 0.0048408000000000 ] - [ 0.0003484700000000, 0.0004971300000000, -0.0029091100000000 ] - [ 0.0001940400000000, 0.0005006000000000, -0.0026555600000000 ] - [ -0.0017925300000000, 0.0036829200000000, 0.0021590500000000 ] - [ 0.0021517700000000, 0.0007882600000000, 0.0013829200000000 ] - [ 0.0006440300000000, -0.0004609700000000, -0.0021300000000000 ] - [ 0.0002927700000000, -0.0004142900000000, -0.0019822200000000 ] - [ 0.0051762300000000, 0.0038018200000000, -0.0036313600000000 ] - [ -0.0036676000000000, 0.0013514300000000, -0.0013528100000000 ] - [ 0.0000889500000000, -0.0000452000000000, -0.0027621900000000 ] - [ 0.0008411800000000, 0.0001083500000000, -0.0021529000000000 ] - [ 0.0005785700000000, -0.0040051200000000, -0.0019747000000000 ] - [ -0.0010636500000000, -0.0010607600000000, 0.0007004400000000 ] - [ -0.0006089800000000, 0.0001171200000000, -0.0009682900000000 ] - [ -0.0004473700000000, -0.0001327400000000, 0.0000730600000000 ] - [ -0.0001509600000000, -0.0019460000000000, 0.0031649100000000 ] - [ -0.0003445100000000, -0.0001063300000000, 0.0021922700000000 ] - [ -0.0004585600000000, 0.0004913500000000, -0.0005436000000000 ] - [ -0.0006006500000000, 0.0004550300000000, -0.0003036300000000 ] - [ 0.0091166900000000, -0.0118312100000000, 0.0042069900000000 ] - [ -0.0087711200000000, -0.0050529600000000, 0.0009637800000000 ] - [ -0.0003369600000000, 0.0001317200000000, -0.0036060800000000 ] - [ 0.0006097600000000, -0.0000451500000000, -0.0033140600000000 ] - [ -0.0000536400000000, 0.0038815000000000, 0.0028216100000000 ] - [ -0.0006128900000000, 0.0010560200000000, 0.0021665100000000 ] - [ -0.0004560000000000, -0.0003119600000000, -0.0030513700000000 ] - [ -0.0002296700000000, -0.0000774600000000, -0.0023849200000000 ] - [ -0.0016984200000000, 0.0160928600000000, 0.0016378200000000 ] - [ 0.0006936900000000, 0.0006764400000000, 0.0030485400000000 ] - [ 0.0000074600000000, -0.0008268000000000, -0.0036585100000000 ] - [ -0.0005921500000000, -0.0005611000000000, -0.0027163600000000 ] - [ -0.0180709300000000, -0.0069499500000000, -0.0081685700000000 ] - [ 0.0105155300000000, -0.0027098700000000, -0.0011441300000000 ] - [ 0.0012340700000000, 0.0008860800000000, -0.0043982400000000 ] - [ -0.0009411400000000, 0.0007869200000000, -0.0036504700000000 ] - [ -0.0006493800000000, 0.0002896200000000, -0.0012391600000000 ] - [ -0.0015001200000000, -0.0003584200000000, -0.0016564800000000 ] - [ -0.0005787100000000, 0.0007539100000000, 0.0006787200000000 ] - [ -0.0003427400000000, 0.0008277000000000, 0.0007936400000000 ] - [ 0.0002478400000000, -0.0019085400000000, 0.0001897000000000 ] - [ -0.0002748200000000, -0.0004763500000000, -0.0002357700000000 ] - [ -0.0000773400000000, 0.0006192100000000, 0.0013458600000000 ] - [ 0.0001947000000000, 0.0002573100000000, 0.0009773200000000 ] - [ -0.0010602000000000, -0.0065606200000000, -0.0119313700000000 ] - [ -0.0011073900000000, 0.0006860200000000, -0.0012466800000000 ] - [ 0.0001013700000000, -0.0001427200000000, 0.0014734700000000 ] - [ 0.0002427400000000, -0.0000571200000000, 0.0010385700000000 ] - [ 0.0001094400000000, -0.0033972300000000, -0.0048080000000000 ] - [ -0.0014419000000000, -0.0008724800000000, -0.0009951200000000 ] - [ 0.0002303100000000, 0.0001556100000000, 0.0017122200000000 ] - [ 0.0005644300000000, 0.0000642100000000, 0.0013572000000000 ] - [ -0.0001118000000000, 0.0009439300000000, -0.0083053400000000 ] - [ 0.0017620800000000, 0.0000993300000000, -0.0034226900000000 ] - [ -0.0001311100000000, 0.0001375500000000, 0.0018938800000000 ] - [ -0.0001454900000000, 0.0001571700000000, 0.0016301400000000 ] - [ -0.0007530700000000, -0.0019725800000000, 0.0014992000000000 ] - [ 0.0000585700000000, -0.0000643800000000, -0.0003557500000000 ] - [ -0.0001535900000000, 0.0008564100000000, 0.0015261900000000 ] - [ -0.0000226100000000, 0.0004325000000000, 0.0006211300000000 ] - [ 0.0006825000000000, -0.0012022400000000, -0.0062362500000000 ] - [ -0.0002327700000000, 0.0002236800000000, -0.0025012700000000 ] - [ -0.0007868200000000, 0.0004039300000000, 0.0011915000000000 ] - [ -0.0007150800000000, 0.0003650200000000, 0.0010277600000000 ] - [ 0.0016100700000000, 0.0002898100000000, -0.0025363500000000 ] - [ -0.0017693200000000, -0.0006125600000000, -0.0003779800000000 ] - [ -0.0001544300000000, 0.0002992700000000, 0.0022063700000000 ] - [ 0.0003414700000000, 0.0003541900000000, 0.0016221100000000 ] - [ 0.0055067400000000, -0.0000163200000000, -0.0057549400000000 ] - [ 0.0018721200000000, -0.0009924600000000, -0.0056449200000000 ] - [ 0.0002543400000000, -0.0002306500000000, 0.0016675700000000 ] - [ 0.0004590100000000, -0.0002246100000000, 0.0017428300000000 ] - [ 0.0003308200000000, -0.0003882600000000, -0.0033287200000000 ] - [ 0.0002220100000000, -0.0000881900000000, -0.0020023200000000 ] - [ -0.0001428200000000, -0.0000781900000000, 0.0012535500000000 ] - [ -0.0000945900000000, -0.0001101600000000, 0.0009803900000000 ] - [ -0.0009190000000000, 0.0006928300000000, -0.0014540500000000 ] - [ 0.0008217300000000, 0.0019065600000000, -0.0008177900000000 ] - [ 0.0000932900000000, -0.0002045500000000, 0.0007422100000000 ] - [ -0.0001520200000000, -0.0001938900000000, 0.0006994100000000 ] - [ 0.0019176600000000, 0.0014461600000000, -0.0095915300000000 ] - [ 0.0025785900000000, -0.0003342700000000, -0.0005201800000000 ] - [ 0.0003276500000000, -0.0004526700000000, 0.0022212100000000 ] - [ -0.0000560000000000, -0.0003033500000000, 0.0016005400000000 ] - [ -0.0064445800000000, -0.0115008600000000, -0.0110716000000000 ] - [ -0.0015754000000000, -0.0004188000000000, -0.0021615300000000 ] - [ 0.0008548400000000, -0.0003464000000000, 0.0014503700000000 ] - [ 0.0010876500000000, -0.0003200000000000, 0.0013430400000000 ] - [ -0.0035780700000000, 0.0013052100000000, 0.0045452000000000 ] - [ 0.0029648200000000, 0.0006471300000000, 0.0008258300000000 ] - [ 0.0016287700000000, -0.0000170900000000, 0.0021388900000000 ] - [ 0.0004215500000000, 0.0003341200000000, 0.0011965000000000 ] - [ -0.0016082900000000, 0.0017711800000000, 0.0016697400000000 ] - [ 0.0021296900000000, 0.0012867100000000, 0.0014465000000000 ] - [ 0.0009813700000000, -0.0002410400000000, 0.0016652200000000 ] - [ -0.0004512400000000, -0.0003377900000000, 0.0017778600000000 ] - [ -0.0001327700000000, 0.0017646400000000, -0.0010524300000000 ] - [ -0.0000903900000000, 0.0006773600000000, -0.0010613400000000 ] - [ -0.0002089700000000, 0.0002536500000000, 0.0008000500000000 ] - [ -0.0001297700000000, 0.0003776500000000, 0.0004502000000000 ] - [ -0.0011084200000000, -0.0044897400000000, 0.0003641100000000 ] - [ 0.0009806900000000, -0.0009986000000000, -0.0005716600000000 ] - [ 0.0005129000000000, 0.0005243800000000, 0.0016173800000000 ] - [ 0.0001935700000000, 0.0002617600000000, 0.0011643900000000 ] - [ 0.0021928700000000, 0.0021889000000000, -0.0000811200000000 ] - [ -0.0019366300000000, 0.0022359800000000, -0.0005392700000000 ] - [ -0.0003626300000000, -0.0003282700000000, 0.0007826400000000 ] - [ 0.0002217000000000, -0.0002717000000000, 0.0009043900000000 ] - [ -0.0017182600000000, -0.0009564600000000, -0.0007628400000000 ] - [ 0.0007897600000000, -0.0031457100000000, -0.0003176900000000 ] - [ -0.0002780900000000, -0.0005358000000000, 0.0007457900000000 ] - [ -0.0007901000000000, -0.0004086000000000, 0.0007013600000000 ] - [ 0.0009243800000000, 0.0003676600000000, -0.0080618600000000 ] - [ 0.0003955400000000, -0.0004120000000000, -0.0020088800000000 ] - [ 0.0001175200000000, 0.0000900800000000, 0.0015363000000000 ] - [ 0.0000614100000000, 0.0000561400000000, 0.0012205800000000 ] - [ -0.0002639000000000, -0.0013980700000000, -0.0018833000000000 ] - [ -0.0000448900000000, -0.0001440400000000, -0.0015545200000000 ] - [ -0.0001135400000000, -0.0002657300000000, 0.0008546400000000 ] - [ -0.0000922500000000, -0.0003379800000000, 0.0005884700000000 ] - [ -0.0010586700000000, -0.0009112000000000, 0.0004199100000000 ] - [ -0.0004003900000000, -0.0004219800000000, -0.0002180600000000 ] - [ -0.0004346800000000, -0.0000286800000000, 0.0007358800000000 ] - [ -0.0008301800000000, -0.0001077900000000, 0.0004662100000000 ] - [ 0.0011740700000000, 0.0008052000000000, 0.0041709900000000 ] - [ -0.0014506100000000, 0.0000556300000000, 0.0013173700000000 ] - [ -0.0010550100000000, -0.0008550700000000, 0.0033500400000000 ] - [ 0.0006241200000000, -0.0002528200000000, 0.0015465700000000 ] - [ -0.0007023300000000, 0.0028973400000000, 0.0000731800000000 ] - [ 0.0005685900000000, 0.0004582100000000, -0.0005999700000000 ] - [ 0.0003303900000000, -0.0005965500000000, 0.0013960200000000 ] - [ -0.0000353400000000, -0.0002623700000000, 0.0008039700000000 ]- atom: 17 displacement: [ 0.0099999598693730, 0.0000000000000000, -0.0000283303887883 ] forces: - [ 0.0007689700000000, -0.0040530000000000, 0.0023428300000000 ] - [ 0.0012661500000000, 0.0017585400000000, -0.0015909500000000 ] - [ -0.0003282100000000, -0.0006505100000000, -0.0001325800000000 ] - [ -0.0003848200000000, -0.0005431500000000, 0.0002194000000000 ] - [ 0.0012312000000000, -0.0017287500000000, -0.0046625800000000 ] - [ 0.0021874000000000, 0.0027281200000000, 0.0042341900000000 ] - [ -0.0003570000000000, 0.0005386900000000, 0.0004182200000000 ] - [ -0.0002658800000000, 0.0006576600000000, -0.0003250000000000 ] - [ -0.0001219000000000, -0.0005788500000000, 0.0000774800000000 ] - [ 0.0007348400000000, -0.0006107000000000, -0.0000619600000000 ] - [ -0.0023215100000000, 0.0005292900000000, -0.0011516300000000 ] - [ 0.0021130200000000, -0.0010370800000000, 0.0005804600000000 ] - [ -0.0027429400000000, 0.0007713000000000, -0.0004238500000000 ] - [ 0.0021200300000000, 0.0002546500000000, -0.0001284900000000 ] - [ 0.0002108700000000, 0.0006198700000000, -0.0000639400000000 ] - [ 0.0004960500000000, 0.0006102700000000, 0.0000841500000000 ] - [ -0.0461176800000000, 0.0011149400000000, -0.0037497400000000 ] - [ 0.0032901000000000, -0.0003170000000000, -0.0007624600000000 ] - [ 0.0004423400000000, -0.0003447400000000, -0.0007641500000000 ] - [ 0.0005733700000000, -0.0003540800000000, -0.0007205100000000 ] - [ 0.0002067300000000, 0.0002642800000000, -0.0007251800000000 ] - [ 0.0007715700000000, 0.0003650300000000, -0.0007924400000000 ] - [ 0.0002059100000000, 0.0003216600000000, -0.0008865600000000 ] - [ 0.0007714000000000, 0.0004079500000000, -0.0006771200000000 ] - [ -0.0002932400000000, -0.0001945900000000, 0.0005876600000000 ] - [ -0.0005001500000000, -0.0004751300000000, 0.0008995500000000 ] - [ -0.0004955900000000, -0.0003449800000000, 0.0008145800000000 ] - [ -0.0005301600000000, -0.0003514900000000, 0.0007169200000000 ] - [ 0.0001666000000000, 0.0006528100000000, 0.0026111700000000 ] - [ -0.0000563100000000, -0.0000834100000000, -0.0008231400000000 ] - [ -0.0003989300000000, 0.0003805100000000, 0.0005635900000000 ] - [ -0.0005904900000000, 0.0003040800000000, 0.0009872000000000 ] - [ -0.0038656100000000, -0.0000511700000000, 0.0007132800000000 ] - [ 0.0020370400000000, -0.0003304300000000, -0.0001480500000000 ] - [ -0.0009505100000000, -0.0004168200000000, 0.0002563200000000 ] - [ 0.0011481600000000, -0.0003159500000000, 0.0000907800000000 ] - [ 0.0085746700000000, 0.0080909300000000, -0.0032407600000000 ] - [ 0.0089965700000000, -0.0122235100000000, 0.0037650500000000 ] - [ -0.0001704500000000, 0.0003227800000000, 0.0000459900000000 ] - [ -0.0002572800000000, 0.0002854400000000, -0.0000364200000000 ] - [ -0.0000524900000000, -0.0001286300000000, 0.0003982400000000 ] - [ -0.0002948700000000, -0.0004013900000000, -0.0005472400000000 ] - [ 0.0000542200000000, -0.0002446100000000, -0.0003652700000000 ] - [ -0.0004798900000000, -0.0003408400000000, 0.0003452300000000 ] - [ -0.0046055700000000, -0.0013823400000000, -0.0000069100000000 ] - [ 0.0023749100000000, 0.0006872500000000, 0.0000509600000000 ] - [ 0.0000488700000000, 0.0002934500000000, 0.0000678700000000 ] - [ 0.0003702700000000, 0.0003055800000000, 0.0000551500000000 ] - [ 0.0020759000000000, 0.0057774100000000, 0.0002286900000000 ] - [ -0.0026617500000000, -0.0003529100000000, -0.0003215300000000 ] - [ -0.0006337300000000, 0.0005372100000000, -0.0001891500000000 ] - [ -0.0007627100000000, 0.0004978800000000, -0.0002357900000000 ] - [ 0.0066960900000000, 0.0018901700000000, -0.0032149400000000 ] - [ -0.0032188800000000, 0.0008460400000000, -0.0011680300000000 ] - [ 0.0000121100000000, 0.0000243900000000, 0.0000728500000000 ] - [ -0.0000683300000000, 0.0000420700000000, 0.0001201900000000 ] - [ 0.0003187200000000, 0.0007900500000000, -0.0002653100000000 ] - [ -0.0004077900000000, -0.0001039600000000, -0.0001059400000000 ] - [ 0.0000495800000000, 0.0000394700000000, -0.0001162500000000 ] - [ -0.0000061300000000, 0.0000286800000000, -0.0001341500000000 ] - [ 0.0000000000000000, 0.0000937500000000, -0.0000069500000000 ] - [ 0.0003199400000000, -0.0001971400000000, 0.0004700100000000 ] - [ 0.0000485000000000, -0.0000217400000000, 0.0003457600000000 ] - [ 0.0003059900000000, -0.0001497000000000, 0.0001193600000000 ] - [ 0.0060486700000000, -0.0015090900000000, 0.0045802300000000 ] - [ -0.0011923900000000, 0.0001269600000000, 0.0008121400000000 ] - [ 0.0001070900000000, 0.0001594300000000, 0.0003294100000000 ] - [ -0.0001100700000000, 0.0001634500000000, 0.0001139800000000 ] - [ 0.0000370300000000, 0.0001277100000000, -0.0004058900000000 ] - [ -0.0000320800000000, 0.0001637100000000, -0.0000880900000000 ] - [ -0.0000643900000000, 0.0000707400000000, 0.0000609600000000 ] - [ -0.0000050800000000, 0.0002381200000000, -0.0005340800000000 ] - [ -0.0008349100000000, 0.0001048500000000, -0.0003418000000000 ] - [ -0.0004149500000000, 0.0004639600000000, 0.0000655100000000 ] - [ -0.0006330500000000, 0.0002662200000000, -0.0001484000000000 ] - [ -0.0004867200000000, 0.0002567300000000, -0.0002646300000000 ] - [ 0.0060075600000000, 0.0004818400000000, 0.0001177700000000 ] - [ -0.0014298400000000, -0.0004974800000000, 0.0003437600000000 ] - [ 0.0001762400000000, 0.0003387800000000, 0.0003638300000000 ] - [ 0.0000729500000000, 0.0003103000000000, 0.0003732600000000 ] - [ 0.0021973300000000, -0.0006770100000000, -0.0002226700000000 ] - [ -0.0003198600000000, -0.0001784900000000, 0.0003648400000000 ] - [ 0.0006326400000000, -0.0002716500000000, 0.0001867900000000 ] - [ 0.0004848400000000, -0.0002665000000000, 0.0001878700000000 ] - [ -0.0016176800000000, -0.0039401400000000, -0.0021565200000000 ] - [ -0.0021213600000000, 0.0017328800000000, 0.0011478900000000 ] - [ 0.0000001000000000, -0.0001602300000000, -0.0001970900000000 ] - [ 0.0000100700000000, -0.0001448400000000, -0.0002998800000000 ] - [ 0.0009145100000000, -0.0002768700000000, 0.0003405800000000 ] - [ -0.0008420000000000, -0.0000306300000000, -0.0004872000000000 ] - [ 0.0001496600000000, 0.0000051400000000, -0.0002855500000000 ] - [ -0.0004647000000000, -0.0000549000000000, -0.0002479800000000 ] - [ 0.0004866200000000, 0.0001019200000000, -0.0003045100000000 ] - [ -0.0002795200000000, -0.0003045500000000, 0.0006014700000000 ] - [ 0.0005130300000000, -0.0003770500000000, 0.0006101200000000 ] - [ -0.0002432800000000, -0.0003634100000000, 0.0000405600000000 ] - [ -0.0002697800000000, -0.0005058200000000, -0.0004351000000000 ] - [ 0.0018799900000000, -0.0007701700000000, 0.0017959500000000 ] - [ 0.0005114400000000, -0.0005128300000000, 0.0002788700000000 ] - [ 0.0008205200000000, -0.0005368000000000, 0.0000360600000000 ] - [ -0.0003103700000000, 0.0011411700000000, 0.0001317900000000 ] - [ 0.0018602000000000, -0.0008644900000000, -0.0000103300000000 ] - [ 0.0006113800000000, 0.0005569900000000, 0.0001449500000000 ] - [ 0.0007604600000000, 0.0004915800000000, 0.0002363800000000 ] - [ 0.0009698800000000, 0.0002612100000000, 0.0003789900000000 ] - [ 0.0002863700000000, 0.0002655700000000, 0.0000829300000000 ] - [ 0.0020194800000000, 0.0003544900000000, -0.0006544000000000 ] - [ -0.0004388400000000, 0.0001976900000000, 0.0004813600000000 ] - [ 0.0001783200000000, -0.0014684900000000, -0.0000194900000000 ] - [ -0.0009701700000000, 0.0013149200000000, -0.0006460200000000 ] - [ -0.0001148500000000, 0.0003173900000000, -0.0004029800000000 ] - [ -0.0001415600000000, 0.0003292500000000, -0.0003803300000000 ] - [ -0.0033779300000000, -0.0000012300000000, 0.0010009100000000 ] - [ 0.0188506500000000, 0.0024277700000000, 0.0032935400000000 ] - [ 0.0001384700000000, 0.0000576900000000, 0.0002060500000000 ] - [ 0.0002113700000000, 0.0000692900000000, 0.0002532300000000 ] - [ 0.0005258500000000, 0.0003002100000000, -0.0002504300000000 ] - [ -0.0007228600000000, 0.0000462900000000, -0.0002874300000000 ] - [ -0.0001326400000000, 0.0000671500000000, -0.0002352400000000 ] - [ -0.0002356900000000, 0.0000632500000000, -0.0002675200000000 ] - [ -0.0004540100000000, -0.0005534200000000, -0.0000552300000000 ] - [ -0.0009437000000000, -0.0004818100000000, -0.0003186900000000 ] - [ -0.0002414000000000, -0.0006963400000000, -0.0001286600000000 ] - [ -0.0010098700000000, -0.0004317500000000, -0.0002369300000000 ] - [ 0.0002340800000000, 0.0001540300000000, 0.0000552600000000 ] - [ -0.0002531300000000, -0.0001326000000000, 0.0002651400000000 ] - [ 0.0000267300000000, -0.0000477600000000, 0.0002106300000000 ] - [ -0.0000888900000000, -0.0000389700000000, 0.0000110200000000 ] - [ 0.0000238600000000, -0.0007551500000000, -0.0008671700000000 ] - [ -0.0002710800000000, -0.0000986400000000, -0.0000238000000000 ] - [ -0.0001592400000000, -0.0004023800000000, -0.0002058300000000 ] - [ -0.0001491900000000, -0.0002408700000000, -0.0005562900000000 ] - [ -0.0020539300000000, -0.0011508500000000, 0.0009207700000000 ] - [ -0.0002521300000000, 0.0015737600000000, -0.0026509500000000 ] - [ -0.0006188900000000, -0.0002879500000000, -0.0002916600000000 ] - [ -0.0005167700000000, -0.0002492500000000, -0.0001350800000000 ] - [ 0.0006687300000000, 0.0005799600000000, 0.0009614200000000 ] - [ -0.0005959800000000, -0.0004609400000000, 0.0002159400000000 ] - [ 0.0000769600000000, -0.0001229600000000, 0.0001559000000000 ] - [ -0.0000867200000000, -0.0001686300000000, 0.0002675300000000 ] - [ 0.0002407400000000, -0.0001724900000000, -0.0008411700000000 ] - [ -0.0003289900000000, -0.0000225800000000, 0.0001636400000000 ] - [ 0.0004709500000000, 0.0000039900000000, 0.0005707700000000 ] - [ -0.0004215400000000, 0.0000380600000000, -0.0006131200000000 ]- atom: 17 displacement: [ -0.0099999598693730, 0.0000000000000000, 0.0000283303887883 ] forces: - [ -0.0015086900000000, 0.0028167700000000, -0.0023258600000000 ] - [ -0.0019805300000000, -0.0030031500000000, 0.0016103300000000 ] - [ -0.0003878700000000, -0.0005780800000000, 0.0001409800000000 ] - [ -0.0003292100000000, -0.0006853000000000, -0.0002110300000000 ] - [ -0.0019674200000000, 0.0029476100000000, 0.0046539200000000 ] - [ -0.0029053500000000, -0.0015076900000000, -0.0042441500000000 ] - [ -0.0003616800000000, 0.0006902000000000, -0.0004131200000000 ] - [ -0.0004473300000000, 0.0005706700000000, 0.0003354800000000 ] - [ 0.0008332900000000, -0.0006523900000000, -0.0000887800000000 ] - [ -0.0000238300000000, -0.0006172100000000, 0.0000551600000000 ] - [ 0.0030354100000000, -0.0017677000000000, 0.0011536900000000 ] - [ -0.0014032200000000, -0.0001878500000000, -0.0005945500000000 ] - [ 0.0034469300000000, 0.0004522500000000, 0.0004114000000000 ] - [ -0.0014087400000000, 0.0009807200000000, 0.0001225900000000 ] - [ 0.0005005800000000, 0.0006085600000000, 0.0000549600000000 ] - [ 0.0002149300000000, 0.0006181000000000, -0.0000937900000000 ] - [ 0.0488533300000000, -0.0019229200000000, 0.0030451400000000 ] - [ -0.0022615200000000, -0.0003783200000000, -0.0007490800000000 ] - [ 0.0005781000000000, -0.0003504300000000, -0.0007509100000000 ] - [ 0.0004462200000000, -0.0003407300000000, -0.0007932700000000 ] - [ 0.0008137300000000, 0.0004325200000000, -0.0007883900000000 ] - [ 0.0002487600000000, 0.0003295300000000, -0.0007223400000000 ] - [ 0.0008154200000000, 0.0003733700000000, -0.0006259100000000 ] - [ 0.0002484900000000, 0.0002859800000000, -0.0008382200000000 ] - [ -0.0007340600000000, -0.0004986200000000, 0.0009267300000000 ] - [ -0.0005221500000000, -0.0002191900000000, 0.0006150700000000 ] - [ -0.0005279800000000, -0.0003496200000000, 0.0006979900000000 ] - [ -0.0004944200000000, -0.0003431400000000, 0.0007986600000000 ] - [ -0.0011971200000000, 0.0000386900000000, -0.0010873900000000 ] - [ -0.0009646500000000, 0.0007814000000000, 0.0023469100000000 ] - [ -0.0006266600000000, 0.0003145900000000, 0.0009525700000000 ] - [ -0.0004325500000000, 0.0003904900000000, 0.0005260100000000 ] - [ 0.0043273800000000, -0.0005496600000000, -0.0007116400000000 ] - [ -0.0016135500000000, -0.0002731300000000, 0.0002088800000000 ] - [ 0.0013779400000000, -0.0001850000000000, -0.0002010300000000 ] - [ -0.0007228200000000, -0.0002858500000000, -0.0000439200000000 ] - [ -0.0089864000000000, -0.0074081100000000, 0.0031302700000000 ] - [ -0.0094738900000000, 0.0129220300000000, -0.0038532600000000 ] - [ -0.0002613000000000, 0.0002783800000000, -0.0000975700000000 ] - [ -0.0001724600000000, 0.0003160000000000, -0.0000149000000000 ] - [ -0.0003814400000000, -0.0004703400000000, -0.0004477300000000 ] - [ -0.0001317400000000, -0.0001994500000000, 0.0004977400000000 ] - [ -0.0004870900000000, -0.0003571500000000, 0.0003145400000000 ] - [ 0.0000515100000000, -0.0002604100000000, -0.0003971100000000 ] - [ 0.0050563900000000, 0.0020173700000000, 0.0000675500000000 ] - [ -0.0019520200000000, -0.0000926600000000, -0.0000011900000000 ] - [ 0.0003788100000000, 0.0003087900000000, -0.0000182700000000 ] - [ 0.0000555800000000, 0.0002963700000000, -0.0000044000000000 ] - [ -0.0035111400000000, -0.0047517900000000, -0.0006417600000000 ] - [ 0.0012706100000000, 0.0013824800000000, -0.0000831100000000 ] - [ -0.0007558400000000, 0.0005004800000000, -0.0002163000000000 ] - [ -0.0006260600000000, 0.0005399500000000, -0.0001694900000000 ] - [ -0.0065805100000000, -0.0016431200000000, 0.0031648700000000 ] - [ 0.0031626400000000, -0.0007736900000000, 0.0013964200000000 ] - [ -0.0000660300000000, 0.0000473800000000, 0.0001533600000000 ] - [ 0.0000140900000000, 0.0000294100000000, 0.0001049700000000 ] - [ -0.0002653600000000, -0.0007274200000000, 0.0000417700000000 ] - [ 0.0004569000000000, 0.0001766800000000, -0.0001191100000000 ] - [ 0.0000004700000000, 0.0000317800000000, -0.0001088300000000 ] - [ 0.0000559700000000, 0.0000428100000000, -0.0000910200000000 ] - [ 0.0003617900000000, -0.0002226000000000, 0.0004932300000000 ] - [ 0.0000378100000000, 0.0000692000000000, 0.0000153600000000 ] - [ 0.0003124600000000, -0.0001060300000000, 0.0001405800000000 ] - [ 0.0000531600000000, 0.0000217300000000, 0.0003668200000000 ] - [ -0.0061185400000000, 0.0018011500000000, -0.0040456200000000 ] - [ 0.0011778100000000, 0.0001838600000000, -0.0003463100000000 ] - [ -0.0001242000000000, 0.0001496000000000, 0.0001429300000000 ] - [ 0.0000931900000000, 0.0001456800000000, 0.0003597500000000 ] - [ -0.0000233600000000, 0.0001810100000000, -0.0000667400000000 ] - [ 0.0000447400000000, 0.0001450400000000, -0.0003851900000000 ] - [ 0.0000787400000000, 0.0002380400000000, -0.0005344600000000 ] - [ 0.0000173000000000, 0.0000705400000000, 0.0000623300000000 ] - [ -0.0002813300000000, 0.0004236300000000, -0.0000648100000000 ] - [ -0.0007062400000000, 0.0000662900000000, -0.0004699100000000 ] - [ -0.0004850900000000, 0.0002644100000000, -0.0002564200000000 ] - [ -0.0006324400000000, 0.0002739300000000, -0.0001397700000000 ] - [ -0.0057382400000000, 0.0000819700000000, 0.0006215600000000 ] - [ 0.0016831800000000, 0.0011526800000000, 0.0004249000000000 ] - [ 0.0000743600000000, 0.0003099300000000, 0.0004040200000000 ] - [ 0.0001782200000000, 0.0003385800000000, 0.0003941300000000 ] - [ -0.0010929400000000, 0.0001415300000000, 0.0006292900000000 ] - [ 0.0014378700000000, -0.0003506500000000, 0.0000383100000000 ] - [ 0.0004819000000000, -0.0002590700000000, 0.0002180600000000 ] - [ 0.0006302300000000, -0.0002643100000000, 0.0002172300000000 ] - [ 0.0016423200000000, 0.0035987700000000, 0.0016657700000000 ] - [ 0.0021413600000000, -0.0020558100000000, -0.0016254500000000 ] - [ 0.0000131600000000, -0.0001486500000000, -0.0002755300000000 ] - [ 0.0000028400000000, -0.0001641400000000, -0.0001726000000000 ] - [ -0.0012875600000000, 0.0001543500000000, -0.0008218500000000 ] - [ 0.0004786400000000, -0.0000967300000000, -0.0000020400000000 ] - [ -0.0005146000000000, -0.0001321000000000, -0.0002013200000000 ] - [ 0.0001015900000000, -0.0000727800000000, -0.0002370500000000 ] - [ -0.0002351900000000, -0.0007615000000000, 0.0010836900000000 ] - [ 0.0005305600000000, -0.0003437400000000, 0.0001634900000000 ] - [ -0.0002616800000000, -0.0002722500000000, 0.0001565100000000 ] - [ 0.0004943000000000, -0.0002849900000000, 0.0007287300000000 ] - [ 0.0016602700000000, -0.0005288600000000, 0.0008369800000000 ] - [ -0.0005106300000000, -0.0002672600000000, -0.0014007900000000 ] - [ 0.0008748900000000, -0.0005246800000000, 0.0001274600000000 ] - [ 0.0005633600000000, -0.0005010700000000, 0.0003686500000000 ] - [ 0.0017002100000000, -0.0001010200000000, 0.0002754700000000 ] - [ -0.0004849900000000, 0.0019081900000000, 0.0004156900000000 ] - [ 0.0007747500000000, 0.0004802900000000, 0.0002611700000000 ] - [ 0.0006243900000000, 0.0005462600000000, 0.0001691300000000 ] - [ 0.0001414900000000, 0.0002686600000000, 0.0000280500000000 ] - [ 0.0008297800000000, 0.0002652700000000, 0.0003203700000000 ] - [ -0.0009105400000000, 0.0001757100000000, 0.0010547700000000 ] - [ 0.0015551300000000, 0.0003330400000000, -0.0000727800000000 ] - [ -0.0004277500000000, 0.0021163500000000, -0.0007431500000000 ] - [ 0.0007129300000000, -0.0006693600000000, -0.0001203000000000 ] - [ -0.0001394300000000, 0.0003318600000000, -0.0003641200000000 ] - [ -0.0001132200000000, 0.0003199800000000, -0.0003870800000000 ] - [ 0.0037113600000000, 0.0001191800000000, -0.0004955500000000 ] - [ -0.0199585900000000, -0.0023260000000000, -0.0032607600000000 ] - [ 0.0002221400000000, 0.0000700100000000, 0.0002804000000000 ] - [ 0.0001483500000000, 0.0000583000000000, 0.0002329900000000 ] - [ -0.0008922300000000, -0.0001734100000000, -0.0002367700000000 ] - [ 0.0003604100000000, 0.0000810400000000, -0.0001981100000000 ] - [ -0.0002316500000000, 0.0000604900000000, -0.0002506200000000 ] - [ -0.0001281000000000, 0.0000640300000000, -0.0002186200000000 ] - [ -0.0009364500000000, -0.0004839400000000, -0.0003506400000000 ] - [ -0.0004446900000000, -0.0005566100000000, -0.0000875900000000 ] - [ -0.0011498200000000, -0.0003407600000000, -0.0002778300000000 ] - [ -0.0003779900000000, -0.0006068400000000, -0.0001679100000000 ] - [ -0.0002863600000000, -0.0002275100000000, 0.0001704100000000 ] - [ 0.0001987400000000, 0.0000613400000000, -0.0000413400000000 ] - [ -0.0000802600000000, -0.0000240800000000, 0.0000143100000000 ] - [ 0.0000350800000000, -0.0000327000000000, 0.0002147200000000 ] - [ -0.0002766700000000, 0.0001059800000000, 0.0000978500000000 ] - [ 0.0000149000000000, -0.0005516500000000, -0.0007455800000000 ] - [ -0.0000949400000000, -0.0002461900000000, -0.0005619900000000 ] - [ -0.0001061300000000, -0.0004084000000000, -0.0002100900000000 ] - [ 0.0009463700000000, 0.0006199200000000, -0.0013231600000000 ] - [ -0.0008729000000000, -0.0021143000000000, 0.0022552400000000 ] - [ -0.0004986000000000, -0.0002419500000000, -0.0001137400000000 ] - [ -0.0006028400000000, -0.0002809500000000, -0.0002695700000000 ] - [ -0.0006870100000000, -0.0008942800000000, -0.0004969100000000 ] - [ 0.0005797000000000, 0.0001534900000000, 0.0002585100000000 ] - [ -0.0000945100000000, -0.0001868500000000, 0.0003184600000000 ] - [ 0.0000700100000000, -0.0001406300000000, 0.0002045600000000 ] - [ -0.0001852000000000, 0.0001065800000000, 0.0006268700000000 ] - [ 0.0003784600000000, -0.0000488500000000, -0.0003916100000000 ] - [ -0.0004198700000000, -0.0000756600000000, -0.0007978600000000 ] - [ 0.0004716700000000, -0.0001099100000000, 0.0003902400000000 ]- atom: 17 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0043698100000000, 0.0020726800000000, -0.0040922800000000 ] - [ 0.0019340600000000, 0.0000463200000000, -0.0010810800000000 ] - [ -0.0004130100000000, -0.0005895600000000, 0.0001173500000000 ] - [ -0.0003130100000000, -0.0005984200000000, 0.0000726900000000 ] - [ -0.0028855800000000, -0.0028074900000000, 0.0034225200000000 ] - [ 0.0009384200000000, -0.0009106500000000, 0.0010427900000000 ] - [ -0.0004925600000000, 0.0004487700000000, -0.0003912400000000 ] - [ -0.0002652500000000, 0.0004801300000000, -0.0002323200000000 ] - [ 0.0004092100000000, -0.0007277300000000, 0.0004637400000000 ] - [ 0.0003484300000000, -0.0006675200000000, 0.0002115400000000 ] - [ 0.0006086300000000, 0.0010554400000000, -0.0036493800000000 ] - [ 0.0001876200000000, -0.0005028900000000, -0.0007217900000000 ] - [ 0.0016207200000000, 0.0074983100000000, 0.0023212300000000 ] - [ 0.0001535300000000, 0.0019238700000000, 0.0004449100000000 ] - [ 0.0003506100000000, 0.0007405200000000, -0.0001482200000000 ] - [ 0.0003435200000000, 0.0006973300000000, -0.0001122400000000 ] - [ 0.0017940000000000, -0.0218298800000000, 0.0085936100000000 ] - [ 0.0005428800000000, -0.0010477800000000, -0.0007294400000000 ] - [ 0.0005136700000000, -0.0004014800000000, -0.0007860900000000 ] - [ 0.0005041800000000, -0.0003895600000000, -0.0007785400000000 ] - [ 0.0005367100000000, 0.0007293200000000, -0.0010341200000000 ] - [ 0.0004499800000000, 0.0005014500000000, -0.0008379900000000 ] - [ 0.0005971200000000, 0.0007279600000000, -0.0001167300000000 ] - [ 0.0004941300000000, 0.0005018600000000, -0.0006245100000000 ] - [ -0.0006614600000000, 0.0009902500000000, 0.0008444200000000 ] - [ -0.0003863800000000, 0.0008655400000000, 0.0006817800000000 ] - [ -0.0005135200000000, -0.0002775000000000, 0.0007549400000000 ] - [ -0.0005072500000000, -0.0002870300000000, 0.0007553800000000 ] - [ -0.0002019200000000, -0.0005867800000000, 0.0021662300000000 ] - [ -0.0009405300000000, -0.0002100200000000, 0.0015776800000000 ] - [ -0.0004785500000000, 0.0002456700000000, 0.0006154500000000 ] - [ -0.0005545300000000, 0.0002409900000000, 0.0006242400000000 ] - [ 0.0010357600000000, -0.0030566300000000, -0.0024258300000000 ] - [ -0.0000095800000000, -0.0012021800000000, -0.0000149600000000 ] - [ 0.0000705000000000, -0.0011847000000000, 0.0003090100000000 ] - [ 0.0001564600000000, -0.0007197100000000, 0.0000907500000000 ] - [ 0.0078822900000000, 0.0010023300000000, -0.0024825900000000 ] - [ -0.0107299800000000, -0.0021568900000000, -0.0034332500000000 ] - [ -0.0002166300000000, 0.0001933500000000, -0.0000631900000000 ] - [ -0.0002260600000000, 0.0002076700000000, -0.0000380400000000 ] - [ -0.0001276000000000, 0.0010206700000000, 0.0002833300000000 ] - [ -0.0003046800000000, 0.0006737500000000, 0.0003909800000000 ] - [ -0.0002143800000000, 0.0003174900000000, -0.0001528700000000 ] - [ -0.0002802500000000, 0.0003340100000000, -0.0002172400000000 ] - [ 0.0029223000000000, 0.0123999300000000, 0.0029041100000000 ] - [ -0.0003183300000000, 0.0011708900000000, 0.0001114000000000 ] - [ 0.0002385900000000, 0.0004102200000000, -0.0001081200000000 ] - [ 0.0001903000000000, 0.0003874500000000, -0.0000600200000000 ] - [ 0.0040074800000000, -0.0049252700000000, 0.0005888000000000 ] - [ -0.0015958900000000, 0.0004318300000000, -0.0000620400000000 ] - [ -0.0006908800000000, 0.0005348900000000, -0.0001864400000000 ] - [ -0.0006915400000000, 0.0005357100000000, -0.0001856100000000 ] - [ 0.0020414600000000, 0.0060908600000000, -0.0030104000000000 ] - [ -0.0000051500000000, 0.0007580600000000, 0.0002038000000000 ] - [ -0.0000278000000000, 0.0001303900000000, 0.0001335900000000 ] - [ -0.0000206800000000, 0.0001006700000000, 0.0001198200000000 ] - [ 0.0007651500000000, -0.0030061600000000, 0.0002657400000000 ] - [ -0.0001746900000000, -0.0005878800000000, -0.0001308600000000 ] - [ 0.0000326500000000, -0.0000234800000000, -0.0000830600000000 ] - [ 0.0000277600000000, -0.0000100900000000, -0.0000918400000000 ] - [ 0.0003427600000000, -0.0005526600000000, 0.0005533200000000 ] - [ 0.0000433900000000, -0.0005394100000000, 0.0004285900000000 ] - [ 0.0002035000000000, -0.0002632000000000, 0.0001504800000000 ] - [ 0.0000600300000000, -0.0003426500000000, 0.0000590900000000 ] - [ -0.0015479600000000, 0.0046769400000000, -0.0020175300000000 ] - [ -0.0000587700000000, 0.0006651900000000, 0.0001383200000000 ] - [ -0.0000096500000000, 0.0002926600000000, 0.0002457000000000 ] - [ -0.0000121200000000, 0.0002280800000000, 0.0002591000000000 ] - [ -0.0000114600000000, -0.0000755300000000, -0.0003102000000000 ] - [ 0.0000027600000000, 0.0000060600000000, -0.0002777800000000 ] - [ -0.0000333000000000, -0.0004956200000000, -0.0001292100000000 ] - [ -0.0000171000000000, -0.0002319100000000, -0.0001289800000000 ] - [ -0.0006159400000000, -0.0004145500000000, -0.0004156000000000 ] - [ -0.0002239500000000, -0.0006956300000000, -0.0006541900000000 ] - [ -0.0005670000000000, 0.0001687700000000, -0.0001489900000000 ] - [ -0.0005493900000000, 0.0001690600000000, -0.0001402200000000 ] - [ -0.0007333200000000, 0.0049453300000000, 0.0008071500000000 ] - [ 0.0000043200000000, 0.0006128700000000, 0.0003221000000000 ] - [ 0.0001186100000000, 0.0003360600000000, 0.0004348400000000 ] - [ 0.0001220400000000, 0.0003328900000000, 0.0004161100000000 ] - [ -0.0006610100000000, -0.0031961700000000, 0.0013792700000000 ] - [ 0.0010178200000000, -0.0005871500000000, 0.0001200700000000 ] - [ 0.0005552700000000, -0.0002960500000000, 0.0001967900000000 ] - [ 0.0005726100000000, -0.0002921100000000, 0.0002095600000000 ] - [ -0.0036714200000000, -0.0011825200000000, -0.0019525100000000 ] - [ 0.0015153400000000, 0.0002993500000000, -0.0007872700000000 ] - [ 0.0000000400000000, -0.0001206500000000, -0.0001636800000000 ] - [ 0.0000087400000000, -0.0001288000000000, -0.0001792800000000 ] - [ -0.0004293400000000, 0.0010941800000000, -0.0011179500000000 ] - [ -0.0003506600000000, 0.0003245800000000, -0.0005117900000000 ] - [ -0.0001345000000000, 0.0002696700000000, -0.0000342500000000 ] - [ -0.0001973000000000, 0.0000978000000000, -0.0001340500000000 ] - [ 0.0001647000000000, -0.0003672200000000, 0.0011825300000000 ] - [ 0.0000366600000000, -0.0002005600000000, 0.0005599700000000 ] - [ 0.0001101800000000, -0.0001138200000000, 0.0000266200000000 ] - [ 0.0000924500000000, -0.0002494400000000, 0.0002828400000000 ] - [ 0.0012989000000000, 0.0001549700000000, 0.0005685600000000 ] - [ 0.0001204500000000, 0.0001426100000000, 0.0010830400000000 ] - [ 0.0007232000000000, -0.0004106200000000, 0.0001709000000000 ] - [ 0.0006511100000000, -0.0004022100000000, 0.0001094300000000 ] - [ 0.0016534200000000, 0.0001448400000000, -0.0000411400000000 ] - [ -0.0012430400000000, -0.0006519100000000, -0.0010711500000000 ] - [ 0.0007296800000000, 0.0004779000000000, 0.0002595800000000 ] - [ 0.0006839700000000, 0.0004923300000000, 0.0002517900000000 ] - [ 0.0005062200000000, 0.0005655300000000, 0.0004285300000000 ] - [ 0.0006137500000000, 0.0004114800000000, 0.0002693700000000 ] - [ 0.0006167400000000, 0.0012325300000000, -0.0004197000000000 ] - [ 0.0008055300000000, 0.0006115800000000, 0.0000926700000000 ] - [ -0.0008937300000000, -0.0014342700000000, 0.0002455600000000 ] - [ 0.0010954300000000, -0.0004736400000000, 0.0000394600000000 ] - [ -0.0001393700000000, 0.0003116900000000, -0.0003932300000000 ] - [ -0.0001261500000000, 0.0003086200000000, -0.0003856800000000 ] - [ -0.0004492100000000, 0.0023693100000000, 0.0000910500000000 ] - [ 0.0007415500000000, 0.0061434900000000, 0.0004027100000000 ] - [ 0.0001889900000000, 0.0001323900000000, 0.0002805300000000 ] - [ 0.0001733600000000, 0.0001297600000000, 0.0002690400000000 ] - [ -0.0004806200000000, -0.0023743900000000, -0.0001919400000000 ] - [ -0.0001733600000000, -0.0006917000000000, -0.0002353500000000 ] - [ -0.0001911300000000, -0.0000126800000000, -0.0002247600000000 ] - [ -0.0001811300000000, 0.0000037600000000, -0.0002269100000000 ] - [ -0.0006619800000000, -0.0007653200000000, -0.0003580300000000 ] - [ -0.0007335800000000, -0.0007103800000000, -0.0002956100000000 ] - [ -0.0004407300000000, -0.0010665400000000, 0.0000953100000000 ] - [ -0.0006348700000000, -0.0007536900000000, -0.0000788000000000 ] - [ -0.0000152300000000, -0.0011186400000000, 0.0001076300000000 ] - [ -0.0000040200000000, -0.0004929900000000, 0.0000944600000000 ] - [ 0.0000106200000000, -0.0002290200000000, 0.0000804100000000 ] - [ -0.0000380800000000, -0.0001591500000000, 0.0001253100000000 ] - [ -0.0003079500000000, -0.0008101900000000, -0.0010936200000000 ] - [ -0.0000458600000000, -0.0005205600000000, -0.0006572300000000 ] - [ -0.0002766300000000, -0.0005255900000000, -0.0001031600000000 ] - [ -0.0001098700000000, -0.0004290500000000, -0.0002172500000000 ] - [ -0.0016618000000000, -0.0004252800000000, 0.0005297100000000 ] - [ 0.0006708900000000, 0.0001684200000000, 0.0012470300000000 ] - [ -0.0005421500000000, -0.0002045200000000, -0.0002445600000000 ] - [ -0.0005253800000000, -0.0002091400000000, -0.0002710400000000 ] - [ 0.0001014200000000, -0.0018737700000000, -0.0020252500000000 ] - [ -0.0000174200000000, -0.0003412600000000, 0.0000536900000000 ] - [ -0.0000237500000000, -0.0002445600000000, 0.0004003100000000 ] - [ -0.0000066300000000, -0.0001995800000000, 0.0003036900000000 ] - [ 0.0002114400000000, 0.0006588800000000, 0.0003429200000000 ] - [ -0.0000105300000000, 0.0002278600000000, -0.0001624300000000 ] - [ 0.0000171000000000, 0.0006114700000000, 0.0001321400000000 ] - [ 0.0000927300000000, 0.0002980700000000, -0.0000764100000000 ]- atom: 17 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0036780300000000, -0.0032881900000000, 0.0041283200000000 ] - [ -0.0026593700000000, -0.0012594300000000, 0.0010976400000000 ] - [ -0.0003002500000000, -0.0006380100000000, -0.0001089400000000 ] - [ -0.0004000100000000, -0.0006286800000000, -0.0000635000000000 ] - [ 0.0021699200000000, 0.0040629800000000, -0.0034112300000000 ] - [ -0.0016461900000000, 0.0021582300000000, -0.0010234100000000 ] - [ -0.0002226100000000, 0.0007814100000000, 0.0003964300000000 ] - [ -0.0004466800000000, 0.0007495300000000, 0.0002398700000000 ] - [ 0.0003041500000000, -0.0005061900000000, -0.0004716300000000 ] - [ 0.0003645500000000, -0.0005635300000000, -0.0002191900000000 ] - [ 0.0001129800000000, -0.0022985400000000, 0.0036294600000000 ] - [ 0.0005230600000000, -0.0007316800000000, 0.0007125800000000 ] - [ -0.0008907600000000, -0.0062348200000000, -0.0023060900000000 ] - [ 0.0005571000000000, -0.0006976700000000, -0.0004522700000000 ] - [ 0.0003627200000000, 0.0004871900000000, 0.0001387600000000 ] - [ 0.0003694500000000, 0.0005305100000000, 0.0001030800000000 ] - [ -0.0013048700000000, 0.0217940600000000, -0.0096640100000000 ] - [ 0.0004809300000000, 0.0003519500000000, -0.0007867600000000 ] - [ 0.0005089800000000, -0.0002932900000000, -0.0007281100000000 ] - [ 0.0005180500000000, -0.0003053500000000, -0.0007351900000000 ] - [ 0.0004875400000000, -0.0000313300000000, -0.0004779800000000 ] - [ 0.0005729700000000, 0.0001941500000000, -0.0006755000000000 ] - [ 0.0004263800000000, -0.0000327800000000, -0.0014016200000000 ] - [ 0.0005288200000000, 0.0001938800000000, -0.0008923400000000 ] - [ -0.0003584200000000, -0.0016843800000000, 0.0006672100000000 ] - [ -0.0006418300000000, -0.0015600000000000, 0.0008307800000000 ] - [ -0.0005097100000000, -0.0004168900000000, 0.0007605600000000 ] - [ -0.0005156000000000, -0.0004071500000000, 0.0007595800000000 ] - [ -0.0008239000000000, 0.0012703200000000, -0.0006486000000000 ] - [ -0.0000800800000000, 0.0008973800000000, -0.0000634600000000 ] - [ -0.0005442100000000, 0.0004479500000000, 0.0008993600000000 ] - [ -0.0004675500000000, 0.0004524500000000, 0.0008898900000000 ] - [ -0.0005909300000000, 0.0024546900000000, 0.0024231100000000 ] - [ 0.0004369600000000, 0.0005989200000000, 0.0000633900000000 ] - [ 0.0003571900000000, 0.0005837300000000, -0.0002512500000000 ] - [ 0.0002724100000000, 0.0001180100000000, -0.0000381200000000 ] - [ -0.0082980800000000, -0.0004464600000000, 0.0023984700000000 ] - [ 0.0102360600000000, 0.0026663200000000, 0.0033586100000000 ] - [ -0.0002124100000000, 0.0004069500000000, 0.0000121600000000 ] - [ -0.0002025100000000, 0.0003928100000000, -0.0000128200000000 ] - [ -0.0002972200000000, -0.0016215800000000, -0.0003276000000000 ] - [ -0.0001275200000000, -0.0012753300000000, -0.0004326400000000 ] - [ -0.0002131600000000, -0.0009201500000000, 0.0000990800000000 ] - [ -0.0001491000000000, -0.0009363900000000, 0.0001627700000000 ] - [ -0.0024808900000000, -0.0118591100000000, -0.0028897300000000 ] - [ 0.0007474700000000, -0.0005614800000000, -0.0000618100000000 ] - [ 0.0001904200000000, 0.0001926800000000, 0.0001588500000000 ] - [ 0.0002380100000000, 0.0002151300000000, 0.0001112100000000 ] - [ -0.0053549900000000, 0.0059821600000000, -0.0009870000000000 ] - [ 0.0002062400000000, 0.0006099800000000, -0.0003401900000000 ] - [ -0.0006966900000000, 0.0005028600000000, -0.0002192600000000 ] - [ -0.0006957900000000, 0.0005020600000000, -0.0002200300000000 ] - [ -0.0019689500000000, -0.0059740300000000, 0.0030890400000000 ] - [ -0.0000577200000000, -0.0006773800000000, 0.0000160400000000 ] - [ -0.0000241300000000, -0.0000582600000000, 0.0000923100000000 ] - [ -0.0000313200000000, -0.0000288200000000, 0.0001055700000000 ] - [ -0.0007198600000000, 0.0030757700000000, -0.0004888100000000 ] - [ 0.0002300300000000, 0.0006570500000000, -0.0000944600000000 ] - [ 0.0000190100000000, 0.0000945800000000, -0.0001424900000000 ] - [ 0.0000239600000000, 0.0000813000000000, -0.0001336500000000 ] - [ 0.0000178700000000, 0.0004227200000000, -0.0000694100000000 ] - [ 0.0003188200000000, 0.0004086000000000, 0.0000546100000000 ] - [ 0.0001581600000000, 0.0001343500000000, 0.0003362600000000 ] - [ 0.0003023700000000, 0.0002136400000000, 0.0004284200000000 ] - [ 0.0015278700000000, -0.0043334600000000, 0.0024537000000000 ] - [ 0.0000428300000000, -0.0003564600000000, 0.0003366700000000 ] - [ -0.0000055000000000, 0.0000160000000000, 0.0002267400000000 ] - [ -0.0000029500000000, 0.0000808600000000, 0.0002135600000000 ] - [ 0.0000266100000000, 0.0003844600000000, -0.0001650900000000 ] - [ 0.0000129600000000, 0.0003030300000000, -0.0001965600000000 ] - [ 0.0000474000000000, 0.0008055700000000, -0.0003409800000000 ] - [ 0.0000333500000000, 0.0005415000000000, -0.0003415100000000 ] - [ -0.0005032600000000, 0.0009444500000000, 0.0000082600000000 ] - [ -0.0008869300000000, 0.0012247700000000, 0.0002425300000000 ] - [ -0.0005497500000000, 0.0003619100000000, -0.0002556300000000 ] - [ -0.0005673200000000, 0.0003616700000000, -0.0002637300000000 ] - [ 0.0012592100000000, -0.0050054000000000, -0.0002648200000000 ] - [ 0.0002465700000000, 0.0000287200000000, 0.0004454600000000 ] - [ 0.0001338400000000, 0.0003119100000000, 0.0003326300000000 ] - [ 0.0001307800000000, 0.0003152900000000, 0.0003511600000000 ] - [ 0.0017842400000000, 0.0026857700000000, -0.0009831800000000 ] - [ 0.0000982700000000, 0.0000541000000000, 0.0002847300000000 ] - [ 0.0005615500000000, -0.0002351100000000, 0.0002078400000000 ] - [ 0.0005442300000000, -0.0002391100000000, 0.0001951200000000 ] - [ 0.0036556700000000, 0.0008913600000000, 0.0014723500000000 ] - [ -0.0014936700000000, -0.0005942200000000, 0.0003140200000000 ] - [ 0.0000150900000000, -0.0001880400000000, -0.0003095100000000 ] - [ 0.0000064800000000, -0.0001800000000000, -0.0002939200000000 ] - [ 0.0000639000000000, -0.0012087200000000, 0.0006331100000000 ] - [ -0.0000116100000000, -0.0004496800000000, 0.0000253400000000 ] - [ -0.0002278200000000, -0.0003957600000000, -0.0004525700000000 ] - [ -0.0001645100000000, -0.0002249400000000, -0.0003523400000000 ] - [ 0.0000897600000000, -0.0002961700000000, -0.0004070100000000 ] - [ 0.0002164500000000, -0.0004508200000000, 0.0002069800000000 ] - [ 0.0001431100000000, -0.0005381000000000, 0.0007405100000000 ] - [ 0.0001596000000000, -0.0004007400000000, 0.0004834100000000 ] - [ 0.0000919600000000, -0.0011954600000000, -0.0001620000000000 ] - [ 0.0012563100000000, -0.0011899200000000, -0.0006724100000000 ] - [ 0.0006640100000000, -0.0006275500000000, 0.0002341700000000 ] - [ 0.0007355800000000, -0.0006360100000000, 0.0002944400000000 ] - [ -0.0002686500000000, 0.0008901200000000, 0.0004484300000000 ] - [ 0.0026458900000000, 0.0016893300000000, 0.0014897200000000 ] - [ 0.0006582400000000, 0.0005588500000000, 0.0001463200000000 ] - [ 0.0007035100000000, 0.0005446000000000, 0.0001539400000000 ] - [ 0.0006092200000000, -0.0000351000000000, -0.0000202400000000 ] - [ 0.0005036700000000, 0.0001189800000000, 0.0001358600000000 ] - [ 0.0005002400000000, -0.0007058800000000, 0.0008161900000000 ] - [ 0.0003106600000000, -0.0000820000000000, 0.0003112200000000 ] - [ 0.0006318200000000, 0.0020885300000000, -0.0010045100000000 ] - [ -0.0013382200000000, 0.0011240700000000, -0.0008027600000000 ] - [ -0.0001131800000000, 0.0003376500000000, -0.0003743100000000 ] - [ -0.0001264200000000, 0.0003406800000000, -0.0003819200000000 ] - [ 0.0008210100000000, -0.0022413500000000, 0.0003952000000000 ] - [ -0.0002736500000000, -0.0059894700000000, 0.0001034800000000 ] - [ 0.0001731600000000, -0.0000044900000000, 0.0002056100000000 ] - [ 0.0001883200000000, -0.0000018400000000, 0.0002170200000000 ] - [ 0.0001190700000000, 0.0024997100000000, -0.0002890700000000 ] - [ -0.0001889500000000, 0.0008189100000000, -0.0002499400000000 ] - [ -0.0001710000000000, 0.0001402900000000, -0.0002615600000000 ] - [ -0.0001807900000000, 0.0001235200000000, -0.0002595000000000 ] - [ -0.0007260500000000, -0.0002713900000000, -0.0000508300000000 ] - [ -0.0006547600000000, -0.0003268900000000, -0.0001117900000000 ] - [ -0.0009475900000000, 0.0000302700000000, -0.0005001300000000 ] - [ -0.0007529800000000, -0.0002833600000000, -0.0003266300000000 ] - [ -0.0000395100000000, 0.0010442400000000, 0.0001116000000000 ] - [ -0.0000462400000000, 0.0004199800000000, 0.0001293700000000 ] - [ -0.0000625000000000, 0.0001569600000000, 0.0001458400000000 ] - [ -0.0000131500000000, 0.0000869700000000, 0.0001007600000000 ] - [ 0.0000537200000000, 0.0001634900000000, 0.0003216700000000 ] - [ -0.0002057100000000, -0.0001258500000000, -0.0001118700000000 ] - [ 0.0000236300000000, -0.0001220300000000, -0.0006636400000000 ] - [ -0.0001424800000000, -0.0002187000000000, -0.0005494500000000 ] - [ 0.0005530000000000, -0.0000972300000000, -0.0009373200000000 ] - [ -0.0017808000000000, -0.0006850000000000, -0.0016451200000000 ] - [ -0.0005739900000000, -0.0003250500000000, -0.0001608600000000 ] - [ -0.0005915200000000, -0.0003205300000000, -0.0001339100000000 ] - [ -0.0001208900000000, 0.0015653800000000, 0.0025055500000000 ] - [ 0.0000024000000000, 0.0000294700000000, 0.0004207500000000 ] - [ 0.0000081700000000, -0.0000659200000000, 0.0000728200000000 ] - [ -0.0000084200000000, -0.0001104700000000, 0.0001687700000000 ] - [ -0.0001560600000000, -0.0007247000000000, -0.0005584100000000 ] - [ 0.0000617800000000, -0.0002983000000000, -0.0000622400000000 ] - [ 0.0000355100000000, -0.0006828100000000, -0.0003601700000000 ] - [ -0.0000411200000000, -0.0003687500000000, -0.0001496300000000 ]- atom: 17 displacement: [ -0.0002094772357658, 0.0000000000000000, 0.0099978057236424 ] forces: - [ 0.0025064600000000, -0.0050817400000000, -0.0028938100000000 ] - [ -0.0021026300000000, -0.0021766200000000, -0.0021370400000000 ] - [ -0.0004663600000000, -0.0003591700000000, 0.0013797400000000 ] - [ -0.0001766900000000, -0.0003603900000000, 0.0012305600000000 ] - [ -0.0048297000000000, 0.0038553800000000, 0.0028875400000000 ] - [ 0.0022121700000000, 0.0016974200000000, 0.0005756100000000 ] - [ 0.0003235900000000, 0.0001439000000000, 0.0020153000000000 ] - [ -0.0008880800000000, 0.0003078900000000, 0.0013981600000000 ] - [ 0.0005401700000000, 0.0003843900000000, 0.0017268900000000 ] - [ 0.0003707300000000, -0.0003546000000000, 0.0006809200000000 ] - [ 0.0005498800000000, -0.0042716300000000, 0.0027525400000000 ] - [ 0.0003026100000000, -0.0011565300000000, 0.0000488600000000 ] - [ 0.0003626300000000, 0.0020196300000000, -0.0024167500000000 ] - [ 0.0003090500000000, 0.0005683800000000, -0.0014386700000000 ] - [ 0.0003766800000000, 0.0006230600000000, 0.0013000900000000 ] - [ 0.0003989500000000, 0.0006690100000000, 0.0010580500000000 ] - [ -0.0024713300000000, 0.0088024700000000, -0.0484819000000000 ] - [ 0.0004440400000000, -0.0003186600000000, -0.0018616600000000 ] - [ 0.0005080800000000, -0.0003771200000000, -0.0000256100000000 ] - [ 0.0005479800000000, -0.0003696100000000, -0.0002110500000000 ] - [ 0.0003887100000000, -0.0002944800000000, -0.0004061900000000 ] - [ 0.0005871300000000, 0.0002123800000000, -0.0006325200000000 ] - [ 0.0005516000000000, 0.0006250600000000, -0.0004012500000000 ] - [ 0.0004721000000000, 0.0004277000000000, -0.0006335300000000 ] - [ -0.0006869500000000, -0.0004385900000000, 0.0003069700000000 ] - [ -0.0003700600000000, -0.0002698700000000, 0.0002886100000000 ] - [ -0.0004532200000000, -0.0003444700000000, 0.0012060700000000 ] - [ -0.0005512200000000, -0.0003449100000000, 0.0011626000000000 ] - [ 0.0013300800000000, 0.0017511600000000, 0.0013592300000000 ] - [ -0.0021115200000000, 0.0011794600000000, 0.0007002800000000 ] - [ -0.0007047700000000, 0.0002053400000000, 0.0014737000000000 ] - [ -0.0002783900000000, 0.0002164600000000, 0.0013501500000000 ] - [ -0.0024028500000000, -0.0012281700000000, 0.0126614700000000 ] - [ 0.0008805300000000, -0.0001507900000000, -0.0000347100000000 ] - [ 0.0000271100000000, -0.0001054300000000, 0.0033835800000000 ] - [ 0.0001438300000000, -0.0001791900000000, 0.0011937900000000 ] - [ -0.0057522400000000, -0.0035078300000000, -0.0080967900000000 ] - [ 0.0024825500000000, -0.0031700500000000, -0.0046565300000000 ] - [ -0.0000494300000000, 0.0004772600000000, 0.0015160500000000 ] - [ -0.0002941300000000, 0.0004335100000000, 0.0014729300000000 ] - [ 0.0003037500000000, -0.0001587300000000, -0.0001583200000000 ] - [ -0.0007117300000000, -0.0003138000000000, -0.0002855900000000 ] - [ -0.0004762000000000, -0.0005238000000000, 0.0008618500000000 ] - [ 0.0002209400000000, -0.0004398900000000, 0.0007756900000000 ] - [ 0.0012160000000000, 0.0038686300000000, -0.0031937600000000 ] - [ -0.0001378900000000, 0.0007526900000000, -0.0018172800000000 ] - [ 0.0001752200000000, 0.0001160500000000, 0.0015515800000000 ] - [ 0.0003432800000000, 0.0001560400000000, 0.0012240800000000 ] - [ -0.0001345200000000, 0.0010163700000000, 0.0037675800000000 ] - [ -0.0006808800000000, 0.0007905000000000, 0.0009305100000000 ] - [ -0.0008009300000000, 0.0003999000000000, -0.0007317100000000 ] - [ -0.0008168700000000, 0.0004027200000000, -0.0006636700000000 ] - [ -0.0018505700000000, -0.0016269600000000, 0.0098697200000000 ] - [ -0.0006096700000000, 0.0003098000000000, 0.0005255500000000 ] - [ -0.0001482900000000, -0.0000491700000000, -0.0006040700000000 ] - [ -0.0000234300000000, -0.0000111900000000, -0.0003638900000000 ] - [ 0.0002525900000000, -0.0004979000000000, 0.0011826000000000 ] - [ 0.0000665300000000, 0.0000872400000000, 0.0006775400000000 ] - [ -0.0000333100000000, 0.0000519600000000, -0.0006523100000000 ] - [ -0.0000169400000000, 0.0000323400000000, -0.0005682800000000 ] - [ -0.0000041400000000, 0.0002234700000000, 0.0001976300000000 ] - [ 0.0004775800000000, 0.0003788700000000, 0.0002642000000000 ] - [ 0.0002360600000000, -0.0001444700000000, -0.0000423400000000 ] - [ -0.0000126800000000, -0.0001748600000000, -0.0000805600000000 ] - [ 0.0047546900000000, -0.0030337200000000, 0.0199674800000000 ] - [ 0.0000294800000000, 0.0001045600000000, 0.0010736600000000 ] - [ 0.0000980000000000, 0.0000857000000000, -0.0006674100000000 ] - [ 0.0000297900000000, 0.0001331900000000, -0.0003450600000000 ] - [ -0.0000828500000000, 0.0000738800000000, -0.0005565300000000 ] - [ 0.0001255200000000, 0.0001532500000000, -0.0004955500000000 ] - [ 0.0002491100000000, 0.0003628400000000, -0.0003868800000000 ] - [ -0.0000903000000000, 0.0002369700000000, -0.0002249000000000 ] - [ -0.0008412600000000, 0.0002631300000000, 0.0003390600000000 ] - [ -0.0004823400000000, 0.0002728700000000, 0.0002869500000000 ] - [ -0.0004220000000000, 0.0002630200000000, -0.0006937500000000 ] - [ -0.0005326500000000, 0.0002540100000000, -0.0007090900000000 ] - [ -0.0003621200000000, 0.0002475900000000, 0.0061132600000000 ] - [ -0.0000230000000000, -0.0000330100000000, 0.0012359500000000 ] - [ 0.0001575400000000, 0.0004003800000000, -0.0002842100000000 ] - [ 0.0001446900000000, 0.0003945900000000, -0.0001401800000000 ] - [ 0.0001226900000000, 0.0004916500000000, 0.0024335600000000 ] - [ 0.0001745100000000, -0.0001446400000000, 0.0012398200000000 ] - [ 0.0006464500000000, -0.0003146300000000, -0.0004080400000000 ] - [ 0.0006456200000000, -0.0002991200000000, -0.0003292200000000 ] - [ -0.0021068200000000, -0.0018025900000000, 0.0035718200000000 ] - [ 0.0001726600000000, -0.0001256400000000, 0.0014016500000000 ] - [ 0.0000866100000000, -0.0001554700000000, -0.0009636500000000 ] - [ 0.0000391800000000, -0.0001514800000000, -0.0008563800000000 ] - [ 0.0008723300000000, -0.0018593000000000, -0.0023814600000000 ] - [ -0.0005261200000000, -0.0003067900000000, -0.0002457700000000 ] - [ -0.0004106900000000, 0.0002044200000000, -0.0010636500000000 ] - [ -0.0001413700000000, -0.0000013400000000, -0.0006102000000000 ] - [ -0.0004952100000000, 0.0018286600000000, -0.0017639800000000 ] - [ 0.0001928900000000, -0.0001371200000000, 0.0003531700000000 ] - [ 0.0003531700000000, -0.0008345600000000, -0.0004541600000000 ] - [ 0.0000983400000000, -0.0004931800000000, 0.0000041100000000 ] - [ -0.0005808400000000, -0.0003177800000000, -0.0000091800000000 ] - [ 0.0036060800000000, 0.0008654100000000, -0.0011215000000000 ] - [ 0.0007440800000000, -0.0006536200000000, -0.0002592600000000 ] - [ 0.0002452800000000, -0.0008011800000000, -0.0007220700000000 ] - [ 0.0014100100000000, -0.0001263500000000, 0.0009663900000000 ] - [ 0.0002640100000000, -0.0005638600000000, 0.0008389400000000 ] - [ 0.0004486400000000, 0.0007556100000000, -0.0002896100000000 ] - [ 0.0006407000000000, 0.0006939700000000, -0.0002849300000000 ] - [ 0.0009563300000000, 0.0004699600000000, -0.0012210200000000 ] - [ 0.0004303900000000, 0.0002790500000000, -0.0001870800000000 ] - [ 0.0000323500000000, -0.0001074700000000, -0.0025142200000000 ] - [ 0.0009772200000000, 0.0002851900000000, -0.0001473400000000 ] - [ 0.0002665800000000, 0.0017369900000000, 0.0012030400000000 ] - [ -0.0002960300000000, 0.0006292500000000, 0.0004265600000000 ] - [ -0.0001619200000000, 0.0002306700000000, -0.0009612100000000 ] - [ -0.0000734400000000, 0.0002386800000000, -0.0008549000000000 ] - [ 0.0017959700000000, -0.0003013100000000, 0.0023664300000000 ] - [ 0.0039495900000000, 0.0006997000000000, 0.0064249600000000 ] - [ 0.0000544500000000, 0.0000171000000000, -0.0002930500000000 ] - [ 0.0001498300000000, 0.0000362100000000, -0.0003014100000000 ] - [ -0.0001437900000000, -0.0000915600000000, 0.0005785700000000 ] - [ 0.0000157600000000, 0.0000263900000000, 0.0002911000000000 ] - [ -0.0002115600000000, 0.0001084400000000, -0.0006880000000000 ] - [ -0.0002635300000000, 0.0001006100000000, -0.0006185300000000 ] - [ -0.0005180000000000, -0.0007549200000000, -0.0002399500000000 ] - [ -0.0008323100000000, -0.0005305400000000, -0.0002422600000000 ] - [ -0.0011454400000000, -0.0000387400000000, -0.0006772300000000 ] - [ -0.0006493400000000, -0.0003881700000000, -0.0004108100000000 ] - [ -0.0000877800000000, 0.0003144900000000, 0.0003516100000000 ] - [ 0.0001181600000000, 0.0001045200000000, 0.0003569000000000 ] - [ -0.0000158500000000, -0.0000742400000000, -0.0003193600000000 ] - [ -0.0001061800000000, -0.0000594500000000, -0.0002148100000000 ] - [ -0.0004185600000000, -0.0010475600000000, -0.0004114300000000 ] - [ 0.0001207400000000, -0.0006059400000000, -0.0002269800000000 ] - [ 0.0000785300000000, -0.0000191400000000, -0.0009757500000000 ] - [ -0.0002181200000000, -0.0001745400000000, -0.0007527800000000 ] - [ 0.0012900400000000, 0.0006784700000000, -0.0005569400000000 ] - [ -0.0017357300000000, 0.0007122900000000, 0.0000061100000000 ] - [ -0.0006777600000000, -0.0003626700000000, -0.0007667500000000 ] - [ -0.0002962600000000, -0.0003363700000000, -0.0008938600000000 ] - [ -0.0000692400000000, -0.0009326000000000, 0.0003211700000000 ] - [ -0.0001035000000000, -0.0003691200000000, 0.0005538300000000 ] - [ 0.0000874900000000, 0.0000630500000000, -0.0005238700000000 ] - [ 0.0000456900000000, -0.0000639800000000, -0.0001836300000000 ] - [ -0.0009694000000000, -0.0007376900000000, -0.0026144400000000 ] - [ 0.0004180800000000, -0.0001094100000000, -0.0003546400000000 ] - [ 0.0002902400000000, 0.0000565700000000, -0.0012569700000000 ] - [ -0.0001991600000000, 0.0000016200000000, -0.0004987700000000 ]- atom: 17 displacement: [ 0.0002094772357658, 0.0000000000000000, -0.0099978057236424 ] forces: - [ -0.0032164600000000, 0.0038444200000000, 0.0028798400000000 ] - [ 0.0013866900000000, 0.0009440000000000, 0.0021296600000000 ] - [ -0.0002455700000000, -0.0008706200000000, -0.0013681500000000 ] - [ -0.0005382600000000, -0.0008694900000000, -0.0012182600000000 ] - [ 0.0041531500000000, -0.0026485300000000, -0.0028762900000000 ] - [ -0.0029391600000000, -0.0004698800000000, -0.0005445300000000 ] - [ -0.0010341000000000, 0.0010825200000000, -0.0020019300000000 ] - [ 0.0001711400000000, 0.0009192200000000, -0.0013846000000000 ] - [ 0.0001763000000000, -0.0016068500000000, -0.0017297600000000 ] - [ 0.0003416600000000, -0.0008723000000000, -0.0006900500000000 ] - [ 0.0001694900000000, 0.0030620100000000, -0.0027604000000000 ] - [ 0.0004105700000000, -0.0000737300000000, -0.0000490000000000 ] - [ 0.0003450600000000, -0.0007976900000000, 0.0023912400000000 ] - [ 0.0004058500000000, 0.0006576100000000, 0.0014256100000000 ] - [ 0.0003370400000000, 0.0006064800000000, -0.0013058600000000 ] - [ 0.0003142600000000, 0.0005598600000000, -0.0010634700000000 ] - [ 0.0025994600000000, -0.0094064800000000, 0.0456162200000000 ] - [ 0.0005812200000000, -0.0003753000000000, 0.0003453600000000 ] - [ 0.0005149200000000, -0.0003176900000000, -0.0014866100000000 ] - [ 0.0004748600000000, -0.0003252100000000, -0.0013009600000000 ] - [ 0.0006348800000000, 0.0009866200000000, -0.0011077200000000 ] - [ 0.0004362500000000, 0.0004815200000000, -0.0008822800000000 ] - [ 0.0004720900000000, 0.0000676400000000, -0.0011088200000000 ] - [ 0.0005516900000000, 0.0002669400000000, -0.0008775900000000 ] - [ -0.0003374400000000, -0.0002551600000000, 0.0012117500000000 ] - [ -0.0006519900000000, -0.0004252000000000, 0.0012297300000000 ] - [ -0.0005698100000000, -0.0003500700000000, 0.0003102300000000 ] - [ -0.0004726300000000, -0.0003495600000000, 0.0003535900000000 ] - [ -0.0023427500000000, -0.0010492300000000, 0.0001553200000000 ] - [ 0.0010769000000000, -0.0004785600000000, 0.0008111700000000 ] - [ -0.0003168400000000, 0.0004901700000000, 0.0000425000000000 ] - [ -0.0007462400000000, 0.0004791900000000, 0.0001665000000000 ] - [ 0.0028475500000000, 0.0006019200000000, -0.0125177600000000 ] - [ -0.0004520600000000, -0.0004505000000000, 0.0000811600000000 ] - [ 0.0004088600000000, -0.0004949400000000, -0.0033496800000000 ] - [ 0.0002851100000000, -0.0004225400000000, -0.0011367100000000 ] - [ 0.0053047600000000, 0.0040929300000000, 0.0080644300000000 ] - [ -0.0028680700000000, 0.0037294300000000, 0.0046434400000000 ] - [ -0.0003779400000000, 0.0001251800000000, -0.0015639000000000 ] - [ -0.0001360700000000, 0.0001690700000000, -0.0015202400000000 ] - [ -0.0007316900000000, -0.0004414100000000, 0.0001029900000000 ] - [ 0.0002813300000000, -0.0002873300000000, 0.0002290600000000 ] - [ 0.0000487200000000, -0.0000777100000000, -0.0009067000000000 ] - [ -0.0006508000000000, -0.0001619300000000, -0.0008204400000000 ] - [ -0.0007764700000000, -0.0032369300000000, 0.0032593600000000 ] - [ 0.0005667500000000, -0.0001477600000000, 0.0018694200000000 ] - [ 0.0002536400000000, 0.0004847300000000, -0.0014978100000000 ] - [ 0.0000854400000000, 0.0004451100000000, -0.0011708500000000 ] - [ -0.0012619100000000, 0.0000541800000000, -0.0041700300000000 ] - [ -0.0007061100000000, 0.0002489900000000, -0.0013335900000000 ] - [ -0.0005866700000000, 0.0006370900000000, 0.0003270700000000 ] - [ -0.0005709700000000, 0.0006344800000000, 0.0002591300000000 ] - [ 0.0021807900000000, 0.0019994500000000, -0.0100720800000000 ] - [ 0.0005456500000000, -0.0002327800000000, -0.0003074200000000 ] - [ 0.0000957000000000, 0.0001204800000000, 0.0008301100000000 ] - [ -0.0000277400000000, 0.0000825800000000, 0.0005906800000000 ] - [ -0.0001978200000000, 0.0005631300000000, -0.0014034600000000 ] - [ -0.0000154500000000, -0.0000152900000000, -0.0008998700000000 ] - [ 0.0000844400000000, 0.0000199400000000, 0.0004277900000000 ] - [ 0.0000686200000000, 0.0000395300000000, 0.0003439800000000 ] - [ 0.0003661800000000, -0.0003509500000000, 0.0002920000000000 ] - [ -0.0001145600000000, -0.0005045800000000, 0.0002256500000000 ] - [ 0.0001253600000000, 0.0000169400000000, 0.0005287100000000 ] - [ 0.0003752600000000, 0.0000478400000000, 0.0005669600000000 ] - [ -0.0043215900000000, 0.0029946000000000, -0.0180735200000000 ] - [ -0.0000447000000000, 0.0002040000000000, -0.0005930700000000 ] - [ -0.0001141400000000, 0.0002238800000000, 0.0011423100000000 ] - [ -0.0000444400000000, 0.0001759500000000, 0.0008186100000000 ] - [ 0.0000972300000000, 0.0002345800000000, 0.0000863000000000 ] - [ -0.0001099200000000, 0.0001558300000000, 0.0000252700000000 ] - [ -0.0002342800000000, -0.0000544000000000, -0.0000874600000000 ] - [ 0.0001059200000000, 0.0000722800000000, -0.0002494700000000 ] - [ -0.0002755800000000, 0.0002678900000000, -0.0007391100000000 ] - [ -0.0006361400000000, 0.0002586800000000, -0.0006845300000000 ] - [ -0.0006949600000000, 0.0002675200000000, 0.0002893600000000 ] - [ -0.0005837600000000, 0.0002765900000000, 0.0003051000000000 ] - [ 0.0006316700000000, 0.0003615700000000, -0.0053464900000000 ] - [ 0.0002730500000000, 0.0006778900000000, -0.0004672000000000 ] - [ 0.0000949000000000, 0.0002488800000000, 0.0010523600000000 ] - [ 0.0001084600000000, 0.0002544400000000, 0.0009084100000000 ] - [ 0.0009908600000000, -0.0010251200000000, -0.0020154700000000 ] - [ 0.0009415500000000, -0.0003862500000000, -0.0008308300000000 ] - [ 0.0004705900000000, -0.0002155300000000, 0.0008136400000000 ] - [ 0.0004711700000000, -0.0002314000000000, 0.0007347600000000 ] - [ 0.0021227200000000, 0.0014945300000000, -0.0040207100000000 ] - [ -0.0001642500000000, -0.0001800100000000, -0.0018598700000000 ] - [ -0.0000718900000000, -0.0001538500000000, 0.0004916100000000 ] - [ -0.0000234500000000, -0.0001579200000000, 0.0003842300000000 ] - [ -0.0012287300000000, 0.0017196300000000, 0.0018797200000000 ] - [ 0.0001636100000000, 0.0001784500000000, -0.0002366600000000 ] - [ 0.0000490500000000, -0.0003358100000000, 0.0005810000000000 ] - [ -0.0002212700000000, -0.0001267000000000, 0.0001240200000000 ] - [ 0.0007421000000000, -0.0024750800000000, 0.0025319300000000 ] - [ 0.0000608600000000, -0.0005109100000000, 0.0004175600000000 ] - [ -0.0001042500000000, 0.0001899900000000, 0.0012244800000000 ] - [ 0.0001541500000000, -0.0001555800000000, 0.0007624300000000 ] - [ 0.0019647600000000, -0.0007181100000000, 0.0004177300000000 ] - [ -0.0021991000000000, -0.0018898600000000, 0.0015188300000000 ] - [ 0.0006418900000000, -0.0003840500000000, 0.0006651700000000 ] - [ 0.0011453700000000, -0.0002346600000000, 0.0011336600000000 ] - [ -0.0000213700000000, 0.0011641100000000, -0.0005620800000000 ] - [ 0.0011203500000000, 0.0016003300000000, -0.0004392200000000 ] - [ 0.0009381400000000, 0.0002827100000000, 0.0006964200000000 ] - [ 0.0007469800000000, 0.0003443100000000, 0.0006914500000000 ] - [ 0.0001604100000000, 0.0000622800000000, 0.0016220100000000 ] - [ 0.0006862100000000, 0.0002513900000000, 0.0005939400000000 ] - [ 0.0010905400000000, 0.0006419500000000, 0.0029493400000000 ] - [ 0.0001383600000000, 0.0002446600000000, 0.0005513600000000 ] - [ -0.0005177900000000, -0.0010900300000000, -0.0019714400000000 ] - [ 0.0000395400000000, 0.0000227100000000, -0.0011954800000000 ] - [ -0.0000910200000000, 0.0004177600000000, 0.0001947900000000 ] - [ -0.0001784800000000, 0.0004098900000000, 0.0000887600000000 ] - [ -0.0014306000000000, 0.0004325200000000, -0.0018842700000000 ] - [ -0.0036194400000000, -0.0005625500000000, -0.0059057600000000 ] - [ 0.0003069500000000, 0.0001106000000000, 0.0007801800000000 ] - [ 0.0002124300000000, 0.0000914500000000, 0.0007886100000000 ] - [ -0.0002184800000000, 0.0002208000000000, -0.0010647000000000 ] - [ -0.0003774600000000, 0.0001017100000000, -0.0007758400000000 ] - [ -0.0001505400000000, 0.0000197100000000, 0.0002030200000000 ] - [ -0.0000985500000000, 0.0000271600000000, 0.0001336300000000 ] - [ -0.0008685800000000, -0.0002849100000000, -0.0001623900000000 ] - [ -0.0005550700000000, -0.0005075300000000, -0.0001603600000000 ] - [ -0.0002419900000000, -0.0009993000000000, 0.0002715600000000 ] - [ -0.0007389500000000, -0.0006488200000000, 0.0000049600000000 ] - [ 0.0000367300000000, -0.0003849900000000, -0.0001204300000000 ] - [ -0.0001692700000000, -0.0001757800000000, -0.0001272700000000 ] - [ -0.0000361300000000, 0.0000029200000000, 0.0005451800000000 ] - [ 0.0000549500000000, -0.0000121200000000, 0.0004405400000000 ] - [ 0.0001639500000000, 0.0003956800000000, -0.0003509300000000 ] - [ -0.0003722800000000, -0.0000443000000000, -0.0005356600000000 ] - [ -0.0003322400000000, -0.0006306500000000, 0.0002089200000000 ] - [ -0.0000339200000000, -0.0004744200000000, -0.0000145400000000 ] - [ -0.0024040200000000, -0.0012069300000000, 0.0001500100000000 ] - [ 0.0006286900000000, -0.0012444700000000, -0.0004230700000000 ] - [ -0.0004398800000000, -0.0001679700000000, 0.0003628100000000 ] - [ -0.0008194200000000, -0.0001943900000000, 0.0004889800000000 ] - [ 0.0000540800000000, 0.0006218200000000, 0.0001405300000000 ] - [ 0.0000885400000000, 0.0000595100000000, -0.0000812600000000 ] - [ -0.0001028500000000, -0.0003713200000000, 0.0009979500000000 ] - [ -0.0000604500000000, -0.0002448200000000, 0.0006584000000000 ] - [ 0.0010163600000000, 0.0006678800000000, 0.0023856700000000 ] - [ -0.0003628500000000, 0.0000376000000000, 0.0001312600000000 ] - [ -0.0002434600000000, -0.0001301600000000, 0.0010339900000000 ] - [ 0.0002523000000000, -0.0000729100000000, 0.0002725200000000 ]- atom: 33 displacement: [ 0.0099999598693730, 0.0000000000000000, -0.0000283303887883 ] forces: - [ 0.0053501300000000, -0.0107653600000000, -0.0087996000000000 ] - [ 0.0084146600000000, 0.0114625900000000, 0.0091486800000000 ] - [ -0.0004389100000000, -0.0007155300000000, 0.0005421900000000 ] - [ -0.0002647700000000, -0.0004524700000000, -0.0003961300000000 ] - [ -0.0000613900000000, 0.0004659900000000, -0.0010241200000000 ] - [ -0.0003810200000000, 0.0007058700000000, 0.0011519700000000 ] - [ 0.0047673000000000, -0.0068371600000000, 0.0183462300000000 ] - [ 0.0077662000000000, 0.0037539400000000, -0.0100616800000000 ] - [ -0.0110253400000000, 0.0040830800000000, 0.0012253100000000 ] - [ 0.0050146200000000, -0.0014841300000000, -0.0008000400000000 ] - [ -0.0003021600000000, -0.0004567400000000, -0.0002489600000000 ] - [ 0.0009678900000000, -0.0006748900000000, 0.0003769300000000 ] - [ -0.0034485500000000, 0.0003449000000000, -0.0002328600000000 ] - [ 0.0031912200000000, 0.0005579200000000, 0.0004579200000000 ] - [ -0.0002774400000000, 0.0006134900000000, 0.0002158500000000 ] - [ 0.0009852000000000, 0.0006431500000000, 0.0000180200000000 ] - [ -0.0035927700000000, 0.0004709700000000, -0.0034937800000000 ] - [ 0.0023416600000000, -0.0005700000000000, -0.0000574900000000 ] - [ -0.0006540000000000, -0.0004917300000000, -0.0009831300000000 ] - [ 0.0014484200000000, -0.0004055700000000, -0.0008100500000000 ] - [ -0.0043134600000000, -0.0023373000000000, 0.0001452800000000 ] - [ 0.0026736800000000, 0.0008766100000000, -0.0010574500000000 ] - [ 0.0003473300000000, 0.0003230800000000, -0.0008039900000000 ] - [ 0.0006716600000000, 0.0003708000000000, -0.0006283200000000 ] - [ -0.0002391700000000, -0.0003468600000000, 0.0004977900000000 ] - [ -0.0007746600000000, -0.0002821000000000, 0.0011860400000000 ] - [ -0.0003470300000000, -0.0004310400000000, 0.0012791700000000 ] - [ -0.0005897800000000, -0.0002573700000000, 0.0002596500000000 ] - [ 0.0082908200000000, 0.0084862100000000, -0.0045793600000000 ] - [ 0.0086993800000000, -0.0100679100000000, 0.0036185200000000 ] - [ -0.0004631600000000, 0.0003449600000000, 0.0009174100000000 ] - [ -0.0005519900000000, 0.0003354700000000, 0.0006734100000000 ] - [ -0.2556906100000000, -0.0054854800000000, -0.0016231400000000 ] - [ 0.0171226200000000, -0.0002576900000000, 0.0000960900000000 ] - [ -0.0002769800000000, -0.0002892000000000, 0.0000412100000000 ] - [ 0.0007053700000000, -0.0003281200000000, 0.0001433000000000 ] - [ 0.0016668400000000, 0.0013793900000000, -0.0031764900000000 ] - [ -0.0009460000000000, -0.0010209500000000, 0.0033185400000000 ] - [ 0.0000219100000000, 0.0013174000000000, 0.0028796400000000 ] - [ 0.0002287200000000, -0.0007841500000000, -0.0025364100000000 ] - [ 0.0018741100000000, -0.0004190100000000, 0.0002141800000000 ] - [ -0.0003235300000000, 0.0006373400000000, -0.0007093200000000 ] - [ -0.0000560900000000, -0.0002897400000000, 0.0000368500000000 ] - [ -0.0003673000000000, -0.0002998600000000, 0.0001496700000000 ] - [ -0.0026992100000000, -0.0006877700000000, 0.0003393700000000 ] - [ 0.0027663400000000, 0.0005940900000000, 0.0004825400000000 ] - [ -0.0026976600000000, 0.0007736000000000, 0.0005049800000000 ] - [ 0.0027642800000000, 0.0003862900000000, -0.0000481100000000 ] - [ 0.0008020500000000, 0.0009516700000000, -0.0006897000000000 ] - [ -0.0021469800000000, 0.0000760000000000, -0.0001440100000000 ] - [ 0.0000865900000000, 0.0008755400000000, 0.0003187500000000 ] - [ -0.0014354400000000, 0.0002034000000000, -0.0008113800000000 ] - [ 0.0002489600000000, -0.0002136400000000, 0.0011852700000000 ] - [ -0.0005516400000000, 0.0000966800000000, -0.0006386900000000 ] - [ 0.0015954800000000, -0.0002554000000000, -0.0016654400000000 ] - [ -0.0010612300000000, 0.0004679600000000, 0.0008231800000000 ] - [ 0.0009386300000000, 0.0007171500000000, 0.0006954200000000 ] - [ -0.0009546100000000, -0.0009459800000000, -0.0015581900000000 ] - [ 0.0002624800000000, 0.0001121100000000, -0.0005228700000000 ] - [ -0.0002628700000000, -0.0000629800000000, 0.0001118300000000 ] - [ -0.0014500900000000, 0.0014090500000000, -0.0000258900000000 ] - [ 0.0012531100000000, -0.0037102500000000, 0.0011015300000000 ] - [ 0.0000844200000000, -0.0000459300000000, 0.0001993900000000 ] - [ 0.0002688400000000, -0.0000850700000000, 0.0002165300000000 ] - [ 0.0321691700000000, -0.0005323700000000, -0.0286288800000000 ] - [ -0.0053171500000000, 0.0007487500000000, 0.0000198100000000 ] - [ 0.0002214500000000, 0.0001357200000000, 0.0001389000000000 ] - [ -0.0002226100000000, 0.0001884000000000, 0.0002787200000000 ] - [ 0.0000588300000000, 0.0001627200000000, -0.0008689300000000 ] - [ -0.0004176500000000, -0.0000377800000000, 0.0005406700000000 ] - [ -0.0000276600000000, 0.0001421700000000, -0.0001203100000000 ] - [ 0.0000410200000000, 0.0001551500000000, -0.0004676800000000 ] - [ -0.0017006100000000, 0.0003658400000000, 0.0005359600000000 ] - [ 0.0001459400000000, 0.0001427900000000, -0.0007689400000000 ] - [ -0.0006419300000000, 0.0002537600000000, -0.0003165900000000 ] - [ -0.0004623900000000, 0.0002632900000000, -0.0001854400000000 ] - [ 0.0011525000000000, 0.0017173200000000, 0.0023113900000000 ] - [ -0.0010209600000000, 0.0001128800000000, -0.0007139000000000 ] - [ 0.0015472600000000, 0.0004701500000000, -0.0002967100000000 ] - [ -0.0009222500000000, -0.0000837700000000, 0.0010855700000000 ] - [ 0.0039681000000000, -0.0010030500000000, -0.0010266700000000 ] - [ -0.0021404600000000, 0.0000217900000000, 0.0007453800000000 ] - [ 0.0010017900000000, -0.0003022500000000, 0.0003050800000000 ] - [ 0.0001380300000000, -0.0002800100000000, 0.0000205200000000 ] - [ -0.0006984800000000, -0.0023029700000000, 0.0028980700000000 ] - [ -0.0011581900000000, 0.0014051200000000, -0.0027240800000000 ] - [ 0.0001276600000000, -0.0003190800000000, -0.0007649600000000 ] - [ -0.0001592300000000, 0.0000240900000000, 0.0001422800000000 ] - [ 0.0275347900000000, -0.0152535900000000, 0.0032352000000000 ] - [ -0.0050984500000000, -0.0002869000000000, -0.0004972900000000 ] - [ -0.0000198400000000, -0.0000680400000000, -0.0002138900000000 ] - [ -0.0003486000000000, -0.0000564800000000, -0.0003298000000000 ] - [ 0.0265033300000000, -0.0149374200000000, 0.0030063600000000 ] - [ -0.0048890400000000, -0.0006618900000000, 0.0010693100000000 ] - [ 0.0002667200000000, -0.0003448000000000, 0.0004160200000000 ] - [ -0.0000154600000000, -0.0003015300000000, 0.0002864600000000 ] - [ -0.0072681300000000, 0.0003166400000000, 0.0008862700000000 ] - [ 0.0849825900000000, 0.0229839300000000, 0.0256586600000000 ] - [ 0.0005234600000000, -0.0005447700000000, 0.0000847000000000 ] - [ 0.0008520800000000, -0.0005000700000000, 0.0002793300000000 ] - [ 0.0000299900000000, 0.0007037600000000, 0.0003132300000000 ] - [ 0.0013683000000000, 0.0004095200000000, -0.0001359700000000 ] - [ -0.0013417900000000, 0.0020570700000000, -0.0011239200000000 ] - [ 0.0019524900000000, -0.0008348500000000, 0.0014506600000000 ] - [ 0.0282417200000000, 0.0022698500000000, -0.0175767600000000 ] - [ -0.0044155700000000, 0.0001916100000000, 0.0003042000000000 ] - [ 0.0009246400000000, 0.0002783600000000, 0.0001518400000000 ] - [ 0.0002249200000000, 0.0002603900000000, 0.0001982000000000 ] - [ 0.0000422700000000, -0.0002301400000000, 0.0002686400000000 ] - [ -0.0002788100000000, 0.0006520400000000, -0.0010273600000000 ] - [ 0.0002067500000000, -0.0000610500000000, -0.0009057600000000 ] - [ -0.0005511700000000, 0.0007306200000000, 0.0001080500000000 ] - [ -0.0008177000000000, -0.0000001000000000, 0.0011230700000000 ] - [ 0.0011313700000000, 0.0005061700000000, -0.0015925300000000 ] - [ -0.0005282000000000, -0.0002953800000000, -0.0009902400000000 ] - [ 0.0003325100000000, 0.0004579500000000, 0.0015420100000000 ] - [ 0.0004217000000000, 0.0000312700000000, -0.0003233000000000 ] - [ -0.0008193100000000, 0.0000140800000000, -0.0003397900000000 ] - [ 0.0004916700000000, 0.0000163200000000, -0.0002236500000000 ] - [ -0.0007778100000000, 0.0001399000000000, -0.0003753400000000 ] - [ 0.0011721000000000, -0.0004500400000000, 0.0009701300000000 ] - [ -0.0022763900000000, -0.0002464900000000, -0.0005419500000000 ] - [ -0.0005148400000000, -0.0005678600000000, -0.0001948500000000 ] - [ -0.0008786700000000, -0.0004697300000000, -0.0002860300000000 ] - [ 0.0005508000000000, 0.0018296400000000, 0.0007120200000000 ] - [ -0.0012493300000000, -0.0009846900000000, 0.0003958200000000 ] - [ 0.0000317000000000, -0.0000280700000000, 0.0000847400000000 ] - [ -0.0000920800000000, -0.0000545800000000, 0.0000577500000000 ] - [ 0.0004619500000000, -0.0038486600000000, 0.0002233600000000 ] - [ -0.0013082000000000, 0.0012172700000000, -0.0001325000000000 ] - [ -0.0001138000000000, -0.0003554200000000, -0.0004254700000000 ] - [ -0.0001428100000000, -0.0002982500000000, -0.0004284700000000 ] - [ -0.0009050700000000, -0.0004434800000000, 0.0001560300000000 ] - [ -0.0002775300000000, -0.0000581500000000, -0.0007214400000000 ] - [ -0.0023621200000000, -0.0015772900000000, -0.0023160900000000 ] - [ -0.0004147900000000, 0.0012678600000000, 0.0018965300000000 ] - [ 0.0003060400000000, 0.0000905800000000, 0.0005849900000000 ] - [ -0.0002916800000000, -0.0002455500000000, -0.0001394800000000 ] - [ 0.0019762100000000, 0.0007394700000000, -0.0018802600000000 ] - [ -0.0013137200000000, -0.0007103600000000, 0.0009502900000000 ] - [ 0.0452985600000000, 0.0129066700000000, 0.0078713100000000 ] - [ -0.0072200000000000, 0.0011833100000000, 0.0017776800000000 ] - [ 0.0001475700000000, -0.0000506100000000, -0.0000196600000000 ] - [ -0.0001025900000000, -0.0000159900000000, -0.0002523700000000 ]- atom: 33 displacement: [ -0.0099999598693730, 0.0000000000000000, 0.0000283303887883 ] forces: - [ -0.0061020500000000, 0.0094849800000000, 0.0087679900000000 ] - [ -0.0091360100000000, -0.0127307200000000, -0.0091745100000000 ] - [ -0.0002772700000000, -0.0005136300000000, -0.0005334800000000 ] - [ -0.0004460700000000, -0.0007765400000000, 0.0004061800000000 ] - [ -0.0006567800000000, 0.0007620900000000, 0.0010352300000000 ] - [ -0.0003292100000000, 0.0005223100000000, -0.0011436100000000 ] - [ -0.0054969100000000, 0.0080229700000000, -0.0182351400000000 ] - [ -0.0084724300000000, -0.0025497000000000, 0.0101444500000000 ] - [ 0.0117062000000000, -0.0053511500000000, -0.0012663900000000 ] - [ -0.0043028900000000, 0.0002740600000000, 0.0008047400000000 ] - [ 0.0010151700000000, -0.0007729500000000, 0.0002417500000000 ] - [ -0.0002540500000000, -0.0005537300000000, -0.0003871800000000 ] - [ 0.0041524900000000, 0.0008757800000000, 0.0002324100000000 ] - [ -0.0024755200000000, 0.0006770800000000, -0.0004711900000000 ] - [ 0.0009909200000000, 0.0006154200000000, -0.0002265500000000 ] - [ -0.0002714200000000, 0.0005859100000000, -0.0000249200000000 ] - [ 0.0046179800000000, -0.0011698400000000, 0.0020032700000000 ] - [ -0.0013196600000000, -0.0001235500000000, -0.0014676600000000 ] - [ 0.0016748600000000, -0.0002037500000000, -0.0005350300000000 ] - [ -0.0004266700000000, -0.0002885900000000, -0.0007000500000000 ] - [ 0.0053431300000000, 0.0030510500000000, -0.0016634400000000 ] - [ -0.0016544500000000, -0.0001900900000000, -0.0004543800000000 ] - [ 0.0006753600000000, 0.0003715000000000, -0.0007097200000000 ] - [ 0.0003505800000000, 0.0003233900000000, -0.0008861000000000 ] - [ -0.0007852000000000, -0.0003471900000000, 0.0010171300000000 ] - [ -0.0002463800000000, -0.0004117400000000, 0.0003287100000000 ] - [ -0.0006789800000000, -0.0002640200000000, 0.0002344600000000 ] - [ -0.0004292500000000, -0.0004369800000000, 0.0012556600000000 ] - [ -0.0092629000000000, -0.0077089400000000, 0.0060659400000000 ] - [ -0.0097683400000000, 0.0108789700000000, -0.0021464700000000 ] - [ -0.0005591800000000, 0.0003499400000000, 0.0005966600000000 ] - [ -0.0004695200000000, 0.0003587900000000, 0.0008401100000000 ] - [ 0.2584638000000000, 0.0061061200000000, 0.0033161700000000 ] - [ -0.0166864900000000, -0.0003452000000000, -0.0000413200000000 ] - [ 0.0007062300000000, -0.0003127300000000, 0.0000104100000000 ] - [ -0.0002769600000000, -0.0002737800000000, -0.0000914300000000 ] - [ -0.0021050700000000, -0.0007782700000000, 0.0031179300000000 ] - [ 0.0005324400000000, 0.0016244800000000, -0.0033756300000000 ] - [ -0.0004605300000000, -0.0007129800000000, -0.0029285800000000 ] - [ -0.0006470000000000, 0.0013843200000000, 0.0024883500000000 ] - [ -0.0023189700000000, -0.0001780200000000, -0.0002646800000000 ] - [ -0.0000874400000000, -0.0012447800000000, 0.0006569500000000 ] - [ -0.0003738500000000, -0.0003118700000000, -0.0000876200000000 ] - [ -0.0000601400000000, -0.0003016700000000, -0.0002003500000000 ] - [ 0.0031286300000000, 0.0012968500000000, -0.0002812300000000 ] - [ -0.0023366400000000, 0.0000050200000000, -0.0004366400000000 ] - [ 0.0031290300000000, -0.0001676900000000, -0.0004646300000000 ] - [ -0.0023354300000000, 0.0002116400000000, 0.0001059800000000 ] - [ -0.0021958500000000, 0.0000877700000000, 0.0002783000000000 ] - [ 0.0007618700000000, 0.0009602400000000, -0.0002582700000000 ] - [ -0.0014756300000000, 0.0001622700000000, -0.0007240200000000 ] - [ 0.0000491400000000, 0.0008331900000000, 0.0004047400000000 ] - [ -0.0002966900000000, 0.0002877000000000, -0.0009618100000000 ] - [ 0.0004983300000000, -0.0000252100000000, 0.0008671500000000 ] - [ -0.0016372800000000, 0.0003272000000000, 0.0018942100000000 ] - [ 0.0010057400000000, -0.0003989100000000, -0.0006038200000000 ] - [ -0.0008836600000000, -0.0006451600000000, -0.0009202000000000 ] - [ 0.0010035300000000, 0.0010165300000000, 0.0013309900000000 ] - [ -0.0002094500000000, -0.0000410000000000, 0.0002990100000000 ] - [ 0.0003128500000000, 0.0001353100000000, -0.0003389800000000 ] - [ 0.0018209400000000, -0.0015303100000000, 0.0005123000000000 ] - [ -0.0009009100000000, 0.0035950000000000, -0.0006164600000000 ] - [ 0.0002779500000000, -0.0000821200000000, 0.0002868500000000 ] - [ 0.0000926900000000, -0.0000431100000000, 0.0002694300000000 ] - [ -0.0321343200000000, 0.0007970900000000, 0.0283019000000000 ] - [ 0.0052977200000000, -0.0004358700000000, 0.0004685600000000 ] - [ -0.0002363600000000, 0.0001734700000000, 0.0003347500000000 ] - [ 0.0002074500000000, 0.0001207300000000, 0.0001931900000000 ] - [ -0.0000379900000000, 0.0001467900000000, 0.0003942700000000 ] - [ 0.0004287700000000, 0.0003463000000000, -0.0010138800000000 ] - [ 0.0000432600000000, 0.0001668300000000, -0.0003531700000000 ] - [ -0.0000263800000000, 0.0001538200000000, -0.0000054700000000 ] - [ 0.0005881600000000, 0.0001635500000000, -0.0009405800000000 ] - [ -0.0012688500000000, 0.0003897800000000, 0.0003656500000000 ] - [ -0.0004740100000000, 0.0002768000000000, -0.0000884700000000 ] - [ -0.0006551100000000, 0.0002673700000000, -0.0002190100000000 ] - [ -0.0008970600000000, -0.0010768200000000, -0.0015543800000000 ] - [ 0.0012728700000000, 0.0005382500000000, 0.0014849600000000 ] - [ -0.0012892100000000, 0.0001784300000000, 0.0010661700000000 ] - [ 0.0011753400000000, 0.0007339600000000, -0.0003226200000000 ] - [ -0.0028570500000000, 0.0004681100000000, 0.0014280900000000 ] - [ 0.0032572500000000, -0.0005488200000000, -0.0003357600000000 ] - [ 0.0001143000000000, -0.0002284700000000, 0.0001005400000000 ] - [ 0.0009794800000000, -0.0002502700000000, 0.0003822700000000 ] - [ 0.0007243900000000, 0.0019914100000000, -0.0033585200000000 ] - [ 0.0011698100000000, -0.0017223000000000, 0.0022633600000000 ] - [ -0.0001112800000000, 0.0000097200000000, 0.0002924200000000 ] - [ 0.0001730800000000, -0.0003330000000000, -0.0006164100000000 ] - [ -0.0278714300000000, 0.0154245800000000, -0.0037576600000000 ] - [ 0.0047361900000000, 0.0001440100000000, 0.0000101800000000 ] - [ -0.0003423400000000, -0.0000594400000000, -0.0002726000000000 ] - [ -0.0000130700000000, -0.0000710600000000, -0.0001565700000000 ] - [ -0.0260018400000000, 0.0135662300000000, -0.0021183800000000 ] - [ 0.0051419800000000, 0.0000273300000000, -0.0003023400000000 ] - [ -0.0000142400000000, -0.0003040500000000, 0.0003508700000000 ] - [ 0.0002677800000000, -0.0003471200000000, 0.0004805400000000 ] - [ 0.0086069000000000, -0.0013378500000000, -0.0004688600000000 ] - [ -0.0889206900000000, -0.0263319600000000, -0.0277365000000000 ] - [ 0.0008643300000000, -0.0004924000000000, 0.0003206900000000 ] - [ 0.0005346700000000, -0.0005374800000000, 0.0001260300000000 ] - [ 0.0013598000000000, 0.0003334500000000, 0.0000939300000000 ] - [ 0.0000161700000000, 0.0006283400000000, 0.0005396400000000 ] - [ 0.0027282000000000, -0.0010145300000000, 0.0015257400000000 ] - [ -0.0005737700000000, 0.0018728800000000, -0.0010452100000000 ] - [ -0.0270384300000000, -0.0017774900000000, 0.0181925400000000 ] - [ 0.0055345900000000, 0.0003416100000000, 0.0000844600000000 ] - [ 0.0001916900000000, 0.0002521300000000, 0.0002519700000000 ] - [ 0.0008923900000000, 0.0002701300000000, 0.0002071100000000 ] - [ -0.0002922500000000, 0.0008777100000000, -0.0010353900000000 ] - [ 0.0000244400000000, -0.0000046300000000, 0.0002620500000000 ] - [ -0.0004554900000000, 0.0007097100000000, 0.0001409400000000 ] - [ 0.0002964300000000, -0.0000823800000000, -0.0008771600000000 ] - [ 0.0011842800000000, 0.0001273100000000, -0.0006320500000000 ] - [ -0.0007778700000000, -0.0003784300000000, 0.0020796700000000 ] - [ 0.0008925000000000, 0.0004206200000000, 0.0014736700000000 ] - [ 0.0000226000000000, -0.0003288500000000, -0.0010537200000000 ] - [ -0.0007843100000000, 0.0000960700000000, -0.0001647100000000 ] - [ 0.0004579100000000, 0.0001137800000000, -0.0001452500000000 ] - [ -0.0008552700000000, 0.0001109900000000, -0.0002610400000000 ] - [ 0.0004167900000000, -0.0000109900000000, -0.0001122500000000 ] - [ -0.0025660200000000, -0.0005781000000000, -0.0013744000000000 ] - [ 0.0008928400000000, -0.0007939700000000, 0.0001366600000000 ] - [ -0.0008732900000000, -0.0004695900000000, -0.0002113600000000 ] - [ -0.0005083400000000, -0.0005680600000000, -0.0001195600000000 ] - [ -0.0005950100000000, -0.0019106200000000, -0.0004897400000000 ] - [ 0.0011950400000000, 0.0009150800000000, -0.0001680100000000 ] - [ -0.0000828300000000, -0.0000438300000000, 0.0001410400000000 ] - [ 0.0000404300000000, -0.0000172900000000, 0.0001675400000000 ] - [ -0.0007049000000000, 0.0031890900000000, -0.0009917900000000 ] - [ 0.0010472200000000, -0.0018760100000000, -0.0006339900000000 ] - [ -0.0001385500000000, -0.0002931000000000, -0.0003418700000000 ] - [ -0.0001102200000000, -0.0003503200000000, -0.0003388600000000 ] - [ -0.0002100500000000, -0.0000867700000000, -0.0005600700000000 ] - [ -0.0008411500000000, -0.0004723700000000, 0.0003159100000000 ] - [ 0.0012534400000000, 0.0010459700000000, 0.0019083000000000 ] - [ -0.0007143600000000, -0.0017989100000000, -0.0023043600000000 ] - [ -0.0003208300000000, -0.0004009900000000, -0.0001145400000000 ] - [ 0.0002762900000000, -0.0000632800000000, 0.0006136600000000 ] - [ -0.0019882200000000, -0.0010533400000000, 0.0023637100000000 ] - [ 0.0012989300000000, 0.0004042000000000, -0.0004819300000000 ] - [ -0.0426011500000000, -0.0114049100000000, -0.0067778100000000 ] - [ 0.0073188000000000, -0.0012637000000000, -0.0020189300000000 ] - [ -0.0000956000000000, -0.0000206900000000, -0.0002064000000000 ] - [ 0.0001539100000000, -0.0000554700000000, 0.0000266000000000 ]- atom: 33 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0103453100000000, 0.0031364200000000, 0.0113330800000000 ] - [ 0.0066670900000000, 0.0034835700000000, 0.0049002400000000 ] - [ -0.0005125100000000, -0.0007107200000000, -0.0004296900000000 ] - [ -0.0002486700000000, -0.0006916200000000, -0.0002485500000000 ] - [ -0.0004826900000000, -0.0001695500000000, 0.0005903900000000 ] - [ -0.0002894000000000, -0.0001580100000000, 0.0004949400000000 ] - [ -0.0067618800000000, -0.0099973100000000, -0.0073646900000000 ] - [ 0.0026987300000000, -0.0027609700000000, -0.0029428900000000 ] - [ 0.0051851500000000, 0.0134063200000000, 0.0165916800000000 ] - [ -0.0004128100000000, 0.0000315800000000, 0.0009582600000000 ] - [ 0.0004523300000000, -0.0004704000000000, -0.0005266400000000 ] - [ 0.0002620400000000, -0.0005244900000000, -0.0002661400000000 ] - [ 0.0021106200000000, 0.0087710200000000, -0.0035574100000000 ] - [ -0.0004155100000000, 0.0029659400000000, -0.0007792900000000 ] - [ 0.0002979800000000, 0.0015510800000000, 0.0006103800000000 ] - [ 0.0003450000000000, 0.0011645300000000, 0.0003745000000000 ] - [ 0.0007580100000000, -0.0031104700000000, -0.0016516000000000 ] - [ 0.0004833100000000, -0.0012487500000000, -0.0006063900000000 ] - [ 0.0003947200000000, -0.0012325600000000, -0.0005670100000000 ] - [ 0.0004964200000000, -0.0007664600000000, -0.0006359600000000 ] - [ 0.0022116700000000, 0.0124390500000000, -0.0042592300000000 ] - [ 0.0001197700000000, 0.0012170300000000, -0.0012148800000000 ] - [ 0.0005202000000000, 0.0004568000000000, -0.0005727100000000 ] - [ 0.0005069600000000, 0.0004347000000000, -0.0006133800000000 ] - [ -0.0005670300000000, 0.0002728000000000, 0.0009789500000000 ] - [ -0.0004709100000000, 0.0002890500000000, 0.0008949400000000 ] - [ -0.0006809500000000, 0.0009757300000000, 0.0006148800000000 ] - [ -0.0004111100000000, 0.0006294100000000, 0.0007752700000000 ] - [ 0.0072463100000000, 0.0010554800000000, -0.0028835500000000 ] - [ -0.0131224400000000, -0.0020762700000000, -0.0029656900000000 ] - [ -0.0004884900000000, 0.0002410600000000, 0.0009333700000000 ] - [ -0.0005258700000000, 0.0002549900000000, 0.0008896800000000 ] - [ -0.0056001700000000, -0.2196703000000000, -0.0071283300000000 ] - [ 0.0002540200000000, -0.0055958200000000, -0.0017081600000000 ] - [ 0.0002265300000000, -0.0006847600000000, 0.0001830400000000 ] - [ 0.0001875800000000, -0.0006109600000000, 0.0001900400000000 ] - [ 0.0008572100000000, -0.0005632400000000, -0.0024878100000000 ] - [ -0.0015468400000000, -0.0010675300000000, -0.0031533000000000 ] - [ 0.0008078400000000, -0.0006165900000000, 0.0024631200000000 ] - [ -0.0012914800000000, -0.0007277000000000, 0.0027727500000000 ] - [ -0.0000833900000000, 0.0093137200000000, -0.0007749500000000 ] - [ -0.0011692900000000, 0.0102450700000000, -0.0001471000000000 ] - [ -0.0002245800000000, 0.0000527800000000, 0.0001515100000000 ] - [ -0.0002148800000000, 0.0000418100000000, 0.0001340000000000 ] - [ -0.0002419000000000, 0.0016727300000000, 0.0038375900000000 ] - [ 0.0001312500000000, 0.0009949600000000, 0.0014661000000000 ] - [ 0.0011921900000000, 0.0016721200000000, -0.0040251500000000 ] - [ -0.0000827300000000, 0.0009954300000000, -0.0008113700000000 ] - [ -0.0001452700000000, 0.0001853300000000, 0.0021288000000000 ] - [ -0.0010194300000000, 0.0004696000000000, 0.0001953100000000 ] - [ -0.0007430200000000, 0.0004366200000000, -0.0010935100000000 ] - [ -0.0009828000000000, 0.0005089700000000, -0.0007373700000000 ] - [ -0.0000767300000000, 0.0006433000000000, 0.0006495700000000 ] - [ 0.0001365700000000, 0.0005043700000000, 0.0005023300000000 ] - [ -0.0004894300000000, 0.0017635400000000, -0.0016755800000000 ] - [ 0.0003233300000000, 0.0008824900000000, -0.0002212100000000 ] - [ 0.0000461300000000, -0.0016156200000000, -0.0010594100000000 ] - [ -0.0001476600000000, -0.0009435600000000, -0.0007121500000000 ] - [ 0.0002777600000000, -0.0006395400000000, 0.0006724500000000 ] - [ -0.0000256800000000, -0.0002916200000000, 0.0000476200000000 ] - [ 0.0020893100000000, -0.0029171900000000, 0.0005570300000000 ] - [ -0.0030554700000000, -0.0062275100000000, 0.0003537400000000 ] - [ 0.0001763900000000, -0.0001840300000000, 0.0001866100000000 ] - [ 0.0001431600000000, -0.0001892400000000, 0.0001677900000000 ] - [ -0.0022418400000000, 0.0194819600000000, 0.0026060400000000 ] - [ -0.0007994500000000, 0.0017717600000000, 0.0002241700000000 ] - [ -0.0000245600000000, 0.0003998400000000, 0.0002169700000000 ] - [ -0.0000101200000000, 0.0003118800000000, 0.0001869000000000 ] - [ -0.0006352300000000, -0.0029295700000000, -0.0000812400000000 ] - [ 0.0000376700000000, -0.0016183300000000, -0.0002320200000000 ] - [ -0.0000042900000000, -0.0000625600000000, -0.0002858500000000 ] - [ -0.0000052000000000, -0.0000404200000000, -0.0002729800000000 ] - [ -0.0005891400000000, -0.0016863100000000, -0.0000479000000000 ] - [ -0.0000169700000000, -0.0026285800000000, -0.0000468700000000 ] - [ -0.0005248800000000, 0.0000847500000000, -0.0003040400000000 ] - [ -0.0005153300000000, 0.0000875300000000, -0.0002955400000000 ] - [ 0.0002601300000000, 0.0011945400000000, -0.0006851400000000 ] - [ -0.0000317100000000, 0.0007070800000000, -0.0002902800000000 ] - [ 0.0002648800000000, 0.0010340600000000, 0.0014169800000000 ] - [ 0.0000531600000000, 0.0005278100000000, 0.0007054600000000 ] - [ 0.0004651300000000, -0.0023308100000000, -0.0035253800000000 ] - [ 0.0015326100000000, -0.0008988600000000, -0.0006840600000000 ] - [ 0.0004902500000000, -0.0004149100000000, 0.0006020000000000 ] - [ 0.0006238200000000, -0.0003701300000000, 0.0003763800000000 ] - [ -0.0013457800000000, 0.0003743900000000, 0.0026827100000000 ] - [ 0.0015913200000000, 0.0000491800000000, 0.0019385600000000 ] - [ -0.0000599400000000, -0.0000454100000000, -0.0007849400000000 ] - [ 0.0001132500000000, -0.0000564400000000, -0.0005547400000000 ] - [ -0.0184975500000000, 0.0693962700000000, -0.0065828800000000 ] - [ -0.0013333400000000, 0.0011855400000000, 0.0001076000000000 ] - [ -0.0002006400000000, 0.0000720500000000, -0.0002990900000000 ] - [ -0.0002030000000000, 0.0000475700000000, -0.0003027300000000 ] - [ -0.0104288300000000, 0.0457599200000000, -0.0036111000000000 ] - [ -0.0010490300000000, 0.0006171900000000, 0.0009696600000000 ] - [ 0.0000975300000000, -0.0002164100000000, 0.0003073400000000 ] - [ 0.0001053100000000, -0.0002437600000000, 0.0003127000000000 ] - [ 0.0024204900000000, 0.0031740300000000, 0.0009812300000000 ] - [ 0.0272567800000000, 0.0278606500000000, 0.0104947800000000 ] - [ 0.0007328900000000, -0.0003880400000000, 0.0001893500000000 ] - [ 0.0007033900000000, -0.0003953500000000, 0.0001824100000000 ] - [ 0.0007369000000000, 0.0005313100000000, -0.0002935600000000 ] - [ 0.0003004400000000, 0.0006073400000000, -0.0007670900000000 ] - [ 0.0011468700000000, 0.0003523500000000, 0.0007825300000000 ] - [ 0.0000759100000000, 0.0004101100000000, 0.0012032200000000 ] - [ 0.0031584200000000, 0.0206766600000000, -0.0061550800000000 ] - [ 0.0006886300000000, 0.0018156800000000, 0.0001574900000000 ] - [ 0.0005841600000000, 0.0004779900000000, 0.0000985600000000 ] - [ 0.0006132300000000, 0.0004279000000000, 0.0001056800000000 ] - [ -0.0002779400000000, -0.0002735200000000, 0.0003062000000000 ] - [ 0.0002053600000000, -0.0002729200000000, 0.0001406700000000 ] - [ -0.0007389600000000, -0.0004432600000000, -0.0017967400000000 ] - [ 0.0002824900000000, -0.0003051700000000, -0.0009454500000000 ] - [ -0.0000463400000000, 0.0010413700000000, 0.0003296400000000 ] - [ 0.0001995200000000, 0.0016737600000000, 0.0003230500000000 ] - [ 0.0001239900000000, 0.0011866900000000, 0.0004029900000000 ] - [ 0.0001085700000000, 0.0011348600000000, 0.0001760700000000 ] - [ -0.0002918000000000, -0.0013095500000000, -0.0004881200000000 ] - [ -0.0002162000000000, -0.0005797400000000, -0.0003451500000000 ] - [ -0.0004897900000000, -0.0013648800000000, -0.0000410600000000 ] - [ -0.0002135500000000, -0.0005649000000000, -0.0001907200000000 ] - [ 0.0008612400000000, -0.0064365700000000, -0.0000225900000000 ] - [ -0.0007442900000000, -0.0021841900000000, -0.0000418500000000 ] - [ -0.0006642700000000, -0.0006680500000000, -0.0002131900000000 ] - [ -0.0006719000000000, -0.0006360800000000, -0.0002284600000000 ] - [ 0.0013790000000000, -0.0061865600000000, -0.0006821200000000 ] - [ -0.0004740200000000, -0.0021015400000000, 0.0000376500000000 ] - [ -0.0000217800000000, -0.0002193300000000, 0.0000699100000000 ] - [ -0.0000282000000000, -0.0001753000000000, 0.0000571400000000 ] - [ -0.0033917400000000, -0.0062739200000000, 0.0000448100000000 ] - [ 0.0021259600000000, -0.0031368600000000, -0.0003155000000000 ] - [ -0.0001644700000000, -0.0004316400000000, -0.0004609300000000 ] - [ -0.0001385000000000, -0.0004091000000000, -0.0004418800000000 ] - [ -0.0006338100000000, -0.0001598800000000, 0.0000086500000000 ] - [ -0.0003934600000000, -0.0000809600000000, 0.0003060700000000 ] - [ -0.0017862200000000, -0.0003337700000000, -0.0017655200000000 ] - [ 0.0014969500000000, 0.0005322400000000, -0.0035848000000000 ] - [ 0.0000559300000000, -0.0002873800000000, -0.0002818300000000 ] - [ 0.0000162100000000, -0.0002440700000000, -0.0000891000000000 ] - [ -0.0002606700000000, -0.0023426200000000, 0.0053960500000000 ] - [ -0.0000861500000000, -0.0004837100000000, 0.0007531600000000 ] - [ 0.0130841400000000, 0.0272301400000000, 0.0034351800000000 ] - [ 0.0014726200000000, 0.0030338100000000, -0.0000604800000000 ] - [ 0.0000173300000000, 0.0001424000000000, -0.0001588100000000 ] - [ 0.0000392000000000, 0.0001220700000000, -0.0001580600000000 ]- atom: 33 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0096833700000000, -0.0043380800000000, -0.0113657200000000 ] - [ -0.0074027400000000, -0.0046666500000000, -0.0048987600000000 ] - [ -0.0002002600000000, -0.0005152500000000, 0.0004380700000000 ] - [ -0.0004645600000000, -0.0005346000000000, 0.0002564400000000 ] - [ -0.0002312900000000, 0.0013996300000000, -0.0005780800000000 ] - [ -0.0004227600000000, 0.0013887900000000, -0.0004834100000000 ] - [ 0.0060222600000000, 0.0112880400000000, 0.0073468300000000 ] - [ -0.0033856300000000, 0.0040163100000000, 0.0029321100000000 ] - [ -0.0044298800000000, -0.0145671400000000, -0.0164716400000000 ] - [ 0.0011211200000000, -0.0012730800000000, -0.0009643200000000 ] - [ 0.0002611200000000, -0.0007613600000000, 0.0005167000000000 ] - [ 0.0004503900000000, -0.0007059800000000, 0.0002568700000000 ] - [ -0.0013944600000000, -0.0075344200000000, 0.0035238700000000 ] - [ 0.0011265800000000, -0.0017406200000000, 0.0007644200000000 ] - [ 0.0004148200000000, -0.0003236200000000, -0.0006156300000000 ] - [ 0.0003676800000000, 0.0000632700000000, -0.0003820800000000 ] - [ 0.0002650100000000, 0.0024012900000000, 0.0001681600000000 ] - [ 0.0005393600000000, 0.0005523700000000, -0.0009051000000000 ] - [ 0.0006260400000000, 0.0005363800000000, -0.0009524500000000 ] - [ 0.0005267300000000, 0.0000702700000000, -0.0008800400000000 ] - [ -0.0011665700000000, -0.0118214700000000, 0.0027761000000000 ] - [ 0.0009024700000000, -0.0005164100000000, -0.0002978400000000 ] - [ 0.0005025300000000, 0.0002383900000000, -0.0009427300000000 ] - [ 0.0005153500000000, 0.0002607900000000, -0.0009023600000000 ] - [ -0.0004543600000000, -0.0009667400000000, 0.0005337400000000 ] - [ -0.0005525900000000, -0.0009834500000000, 0.0006159300000000 ] - [ -0.0003386000000000, -0.0016691800000000, 0.0009046900000000 ] - [ -0.0006142900000000, -0.0013221500000000, 0.0007436600000000 ] - [ -0.0082327700000000, -0.0003936500000000, 0.0043953500000000 ] - [ 0.0120435100000000, 0.0027461700000000, 0.0044631500000000 ] - [ -0.0005337900000000, 0.0004530500000000, 0.0005803500000000 ] - [ -0.0004968000000000, 0.0004390600000000, 0.0006247800000000 ] - [ 0.0058708300000000, 0.2168692800000000, 0.0067584600000000 ] - [ 0.0001767000000000, 0.0049904700000000, 0.0017576200000000 ] - [ 0.0002022000000000, 0.0000827100000000, -0.0001320900000000 ] - [ 0.0002410200000000, 0.0000089000000000, -0.0001393400000000 ] - [ -0.0012860700000000, 0.0011519200000000, 0.0024324900000000 ] - [ 0.0011164400000000, 0.0016522500000000, 0.0030986900000000 ] - [ -0.0012365300000000, 0.0012069300000000, -0.0025165700000000 ] - [ 0.0008613800000000, 0.0013159600000000, -0.0028180700000000 ] - [ -0.0003202400000000, -0.0099011200000000, 0.0007279000000000 ] - [ 0.0007133700000000, -0.0108712500000000, 0.0000909800000000 ] - [ -0.0002035400000000, -0.0006541600000000, -0.0002024800000000 ] - [ -0.0002141700000000, -0.0006432000000000, -0.0001851700000000 ] - [ 0.0006780400000000, -0.0010566700000000, -0.0038061100000000 ] - [ 0.0002979500000000, -0.0003874800000000, -0.0014166300000000 ] - [ -0.0007691300000000, -0.0010574200000000, 0.0040925900000000 ] - [ 0.0005112900000000, -0.0003868800000000, 0.0008624900000000 ] - [ -0.0012380800000000, 0.0008587300000000, -0.0025245400000000 ] - [ -0.0003685800000000, 0.0005709000000000, -0.0005995000000000 ] - [ -0.0006447400000000, 0.0006036900000000, 0.0006861700000000 ] - [ -0.0004052800000000, 0.0005300400000000, 0.0003320700000000 ] - [ 0.0000273000000000, -0.0005666000000000, -0.0004262600000000 ] - [ -0.0001887400000000, -0.0004301500000000, -0.0002768100000000 ] - [ 0.0004410400000000, -0.0016786800000000, 0.0019053300000000 ] - [ -0.0003739300000000, -0.0008056100000000, 0.0004481100000000 ] - [ 0.0000020500000000, 0.0016847500000000, 0.0008385000000000 ] - [ 0.0001993500000000, 0.0010112400000000, 0.0004852700000000 ] - [ -0.0002280400000000, 0.0007098900000000, -0.0009026000000000 ] - [ 0.0000772500000000, 0.0003618500000000, -0.0002744000000000 ] - [ -0.0017319200000000, 0.0027828100000000, -0.0000717300000000 ] - [ 0.0034544300000000, 0.0061331300000000, 0.0001353900000000 ] - [ 0.0001853500000000, 0.0000549800000000, 0.0002996800000000 ] - [ 0.0002189300000000, 0.0000601400000000, 0.0003186800000000 ] - [ 0.0019802000000000, -0.0191419500000000, -0.0015537000000000 ] - [ 0.0007768400000000, -0.0014607800000000, 0.0002459800000000 ] - [ 0.0000092900000000, -0.0000907900000000, 0.0002578000000000 ] - [ -0.0000052800000000, -0.0000026800000000, 0.0002875900000000 ] - [ 0.0006435600000000, 0.0032346300000000, -0.0003975200000000 ] - [ -0.0000148000000000, 0.0019309200000000, -0.0002481100000000 ] - [ 0.0000194300000000, 0.0003715400000000, -0.0001871900000000 ] - [ 0.0000209500000000, 0.0003495300000000, -0.0001999500000000 ] - [ -0.0005346700000000, 0.0022154800000000, -0.0003516900000000 ] - [ -0.0010948800000000, 0.0031624700000000, -0.0003509800000000 ] - [ -0.0005922500000000, 0.0004458100000000, -0.0001009700000000 ] - [ -0.0006011600000000, 0.0004430200000000, -0.0001091600000000 ] - [ -0.0000095500000000, -0.0005625500000000, 0.0014452500000000 ] - [ 0.0002833300000000, -0.0000620800000000, 0.0010561100000000 ] - [ -0.0000128100000000, -0.0003940800000000, -0.0006481400000000 ] - [ 0.0001974000000000, 0.0001171800000000, 0.0000647200000000 ] - [ 0.0006552300000000, 0.0018016700000000, 0.0039603300000000 ] - [ -0.0004186400000000, 0.0003654800000000, 0.0010897000000000 ] - [ 0.0006268600000000, -0.0001179600000000, -0.0001984700000000 ] - [ 0.0004929400000000, -0.0001619000000000, 0.0000283500000000 ] - [ 0.0013542200000000, -0.0006675700000000, -0.0031444600000000 ] - [ -0.0015726500000000, -0.0003518600000000, -0.0024067800000000 ] - [ 0.0000751400000000, -0.0002614300000000, 0.0003116400000000 ] - [ -0.0000980000000000, -0.0002507800000000, 0.0000813000000000 ] - [ 0.0161153000000000, -0.0644204300000000, 0.0055893500000000 ] - [ 0.0009717400000000, -0.0013045400000000, -0.0005953700000000 ] - [ -0.0001612400000000, -0.0001992700000000, -0.0001870500000000 ] - [ -0.0001589300000000, -0.0001749500000000, -0.0001833100000000 ] - [ 0.0126393200000000, -0.0499776800000000, 0.0049967400000000 ] - [ 0.0012982300000000, -0.0012756200000000, -0.0002014200000000 ] - [ 0.0001544200000000, -0.0004325900000000, 0.0004596400000000 ] - [ 0.0001467400000000, -0.0004048800000000, 0.0004543300000000 ] - [ -0.0010288900000000, -0.0042221800000000, -0.0005751300000000 ] - [ -0.0262280400000000, -0.0287002700000000, -0.0102377000000000 ] - [ 0.0006547100000000, -0.0006493300000000, 0.0002164700000000 ] - [ 0.0006845200000000, -0.0006420100000000, 0.0002235800000000 ] - [ 0.0006513100000000, 0.0005038900000000, 0.0006998500000000 ] - [ 0.0010895800000000, 0.0004257300000000, 0.0011766700000000 ] - [ 0.0002428600000000, 0.0006787100000000, -0.0003748000000000 ] - [ 0.0013163800000000, 0.0006177000000000, -0.0007984700000000 ] - [ -0.0018829500000000, -0.0200441400000000, 0.0060891800000000 ] - [ 0.0004308900000000, -0.0012854500000000, 0.0002483900000000 ] - [ 0.0005327900000000, 0.0000524100000000, 0.0003049000000000 ] - [ 0.0005039400000000, 0.0001025600000000, 0.0002986200000000 ] - [ 0.0000242900000000, 0.0009244200000000, -0.0010700500000000 ] - [ -0.0004566000000000, 0.0009225800000000, -0.0009058300000000 ] - [ 0.0004825100000000, 0.0010951600000000, 0.0010234800000000 ] - [ -0.0005332700000000, 0.0009550300000000, 0.0001760800000000 ] - [ 0.0004097800000000, -0.0009101200000000, 0.0001540100000000 ] - [ 0.0001564800000000, -0.0015389400000000, 0.0001539200000000 ] - [ 0.0002387800000000, -0.0010574000000000, 0.0000850400000000 ] - [ 0.0002505000000000, -0.0010015300000000, 0.0003159200000000 ] - [ -0.0000692700000000, 0.0014379600000000, 0.0000072300000000 ] - [ -0.0001458900000000, 0.0007068400000000, -0.0001398400000000 ] - [ 0.0001288800000000, 0.0014916600000000, -0.0004498200000000 ] - [ -0.0001493300000000, 0.0006912900000000, -0.0002967600000000 ] - [ -0.0022419200000000, 0.0054014800000000, -0.0003827600000000 ] - [ -0.0006488800000000, 0.0011481100000000, -0.0003664100000000 ] - [ -0.0007239800000000, -0.0003689400000000, -0.0001925200000000 ] - [ -0.0007162500000000, -0.0004012700000000, -0.0001773900000000 ] - [ -0.0014448600000000, 0.0061172400000000, 0.0009097800000000 ] - [ 0.0004322900000000, 0.0020269900000000, 0.0001939800000000 ] - [ -0.0000294200000000, 0.0001467200000000, 0.0001559900000000 ] - [ -0.0000224500000000, 0.0001027200000000, 0.0001690600000000 ] - [ 0.0031151100000000, 0.0056079600000000, -0.0008140200000000 ] - [ -0.0023721900000000, 0.0024910300000000, -0.0004510800000000 ] - [ -0.0000880400000000, -0.0002158500000000, -0.0003061900000000 ] - [ -0.0001136100000000, -0.0002382800000000, -0.0003249400000000 ] - [ -0.0004828300000000, -0.0003686600000000, -0.0004132500000000 ] - [ -0.0007230000000000, -0.0004468400000000, -0.0007101100000000 ] - [ 0.0006702100000000, -0.0001884400000000, 0.0013630500000000 ] - [ -0.0026049800000000, -0.0010506900000000, 0.0031661200000000 ] - [ -0.0000721900000000, -0.0000246800000000, 0.0007557800000000 ] - [ -0.0000316100000000, -0.0000663300000000, 0.0005631900000000 ] - [ 0.0002405800000000, 0.0020334900000000, -0.0049481300000000 ] - [ 0.0000704600000000, 0.0001688100000000, -0.0002807500000000 ] - [ -0.0124361700000000, -0.0270735700000000, -0.0033787700000000 ] - [ -0.0014252700000000, -0.0030912000000000, -0.0001639600000000 ] - [ 0.0000337900000000, -0.0002136200000000, -0.0000674700000000 ] - [ 0.0000120100000000, -0.0001933800000000, -0.0000678700000000 ]- atom: 33 displacement: [ -0.0002094772357658, 0.0000000000000000, 0.0099978057236424 ] forces: - [ -0.0094720900000000, 0.0110430500000000, -0.0041997100000000 ] - [ 0.0060794500000000, 0.0052890900000000, -0.0009903300000000 ] - [ 0.0002140800000000, -0.0007964600000000, 0.0036361500000000 ] - [ -0.0007048800000000, -0.0007820400000000, 0.0033445300000000 ] - [ -0.0014080300000000, 0.0007422400000000, 0.0044292600000000 ] - [ 0.0007598600000000, 0.0008578600000000, 0.0036777000000000 ] - [ 0.0166563900000000, -0.0067647800000000, 0.0081726600000000 ] - [ -0.0146893100000000, -0.0033899600000000, 0.0011288100000000 ] - [ 0.0015740800000000, 0.0139063000000000, -0.0017267800000000 ] - [ -0.0000932600000000, 0.0009167200000000, -0.0030835100000000 ] - [ 0.0003852800000000, -0.0015155500000000, 0.0036324900000000 ] - [ 0.0004886600000000, -0.0011662300000000, 0.0026843200000000 ] - [ -0.0000020100000000, -0.0020262400000000, -0.0028301700000000 ] - [ 0.0004977000000000, 0.0000521800000000, -0.0021896800000000 ] - [ 0.0005578600000000, 0.0011411700000000, 0.0030181700000000 ] - [ 0.0003408200000000, 0.0009861200000000, 0.0023511300000000 ] - [ 0.0013591100000000, -0.0027850800000000, 0.0118538000000000 ] - [ 0.0002929500000000, -0.0003833800000000, -0.0008308800000000 ] - [ 0.0007733400000000, -0.0000647500000000, 0.0026214700000000 ] - [ 0.0005626400000000, -0.0002817600000000, 0.0004100300000000 ] - [ 0.0005677600000000, -0.0024829000000000, -0.0040160600000000 ] - [ 0.0004866500000000, 0.0002501600000000, -0.0025982300000000 ] - [ 0.0005626200000000, 0.0004815600000000, 0.0007686300000000 ] - [ 0.0005413000000000, 0.0004328300000000, 0.0004374000000000 ] - [ -0.0008537700000000, -0.0002209000000000, 0.0016403000000000 ] - [ -0.0001331000000000, -0.0001582000000000, 0.0015535800000000 ] - [ -0.0000909100000000, -0.0006514700000000, 0.0006193200000000 ] - [ -0.0010329600000000, -0.0007606400000000, 0.0004946800000000 ] - [ -0.0039072000000000, -0.0022639800000000, -0.0072632200000000 ] - [ 0.0031059300000000, -0.0028365800000000, -0.0038605500000000 ] - [ -0.0004358400000000, 0.0003095700000000, 0.0022957800000000 ] - [ -0.0005170400000000, 0.0003354000000000, 0.0022549200000000 ] - [ 0.0020565300000000, -0.0066260200000000, -0.2664154400000000 ] - [ -0.0000930900000000, -0.0020345300000000, -0.0080999100000000 ] - [ 0.0002529600000000, -0.0001437900000000, 0.0045566200000000 ] - [ 0.0003316900000000, -0.0001357800000000, 0.0036869500000000 ] - [ -0.0033822000000000, -0.0021797800000000, 0.0040917400000000 ] - [ 0.0031453800000000, -0.0027867600000000, 0.0029634300000000 ] - [ 0.0027011700000000, 0.0027742700000000, 0.0030578800000000 ] - [ -0.0027288000000000, 0.0031197700000000, 0.0039875300000000 ] - [ -0.0000371500000000, 0.0004536600000000, -0.0051303400000000 ] - [ -0.0009051700000000, -0.0002016400000000, -0.0050626700000000 ] - [ -0.0001453300000000, -0.0004775900000000, 0.0032726900000000 ] - [ -0.0000272600000000, -0.0004600800000000, 0.0032502700000000 ] - [ 0.0007725400000000, 0.0043716500000000, 0.0041744600000000 ] - [ 0.0000879100000000, 0.0011308300000000, 0.0012473900000000 ] - [ 0.0005967300000000, -0.0035356100000000, 0.0041724700000000 ] - [ 0.0006250700000000, -0.0011431800000000, 0.0012497300000000 ] - [ -0.0016441200000000, 0.0026805900000000, -0.0013722600000000 ] - [ 0.0003446600000000, 0.0012648700000000, -0.0002629100000000 ] - [ -0.0008577500000000, -0.0005115000000000, -0.0016532300000000 ] - [ -0.0011645800000000, -0.0000534800000000, -0.0010344500000000 ] - [ 0.0007897300000000, 0.0011011600000000, -0.0025240800000000 ] - [ -0.0008220000000000, 0.0004152500000000, -0.0009497800000000 ] - [ -0.0027225100000000, -0.0024739000000000, -0.0031061400000000 ] - [ 0.0010446600000000, -0.0007774500000000, -0.0002872100000000 ] - [ 0.0005906600000000, -0.0011544800000000, -0.0005375800000000 ] - [ -0.0003128700000000, -0.0005331100000000, -0.0004604300000000 ] - [ -0.0003742000000000, 0.0005922100000000, -0.0012710400000000 ] - [ 0.0002156500000000, 0.0002987300000000, -0.0008280800000000 ] - [ 0.0002875200000000, -0.0002600000000000, 0.0024999200000000 ] - [ 0.0010773600000000, -0.0000835300000000, 0.0033127300000000 ] - [ 0.0000237700000000, -0.0000096700000000, -0.0009059100000000 ] - [ -0.0000243100000000, -0.0000306700000000, -0.0009581000000000 ] - [ -0.0259926600000000, -0.0012537300000000, 0.0796487500000000 ] - [ -0.0011877000000000, 0.0005748900000000, 0.0021933200000000 ] - [ 0.0000961100000000, 0.0001077200000000, -0.0019427600000000 ] - [ 0.0001760800000000, 0.0001159200000000, -0.0013716100000000 ] - [ -0.0008214400000000, -0.0001947200000000, 0.0017193300000000 ] - [ 0.0000514300000000, 0.0000655200000000, 0.0014218200000000 ] - [ 0.0002607500000000, 0.0001964100000000, -0.0017047400000000 ] - [ 0.0000527300000000, 0.0001929200000000, -0.0015447500000000 ] - [ -0.0005901700000000, 0.0001775300000000, 0.0015849100000000 ] - [ -0.0010953200000000, 0.0003065300000000, 0.0017925500000000 ] - [ -0.0004562900000000, 0.0002083300000000, -0.0014733900000000 ] - [ -0.0002787800000000, 0.0001926800000000, -0.0015752100000000 ] - [ 0.0007195000000000, -0.0029148800000000, -0.0038500900000000 ] - [ -0.0001897200000000, -0.0000212400000000, -0.0001451800000000 ] - [ -0.0004230200000000, 0.0018407800000000, -0.0022714600000000 ] - [ 0.0007381000000000, 0.0010542200000000, -0.0009481300000000 ] - [ -0.0000475600000000, -0.0034514400000000, -0.0009191100000000 ] - [ 0.0011638600000000, -0.0007360700000000, 0.0002460800000000 ] - [ 0.0008793400000000, 0.0000880100000000, -0.0015594700000000 ] - [ 0.0006686100000000, -0.0000907700000000, -0.0009540700000000 ] - [ 0.0029359100000000, 0.0038178700000000, -0.0016326900000000 ] - [ -0.0014737000000000, 0.0011192800000000, 0.0001641400000000 ] - [ -0.0001409500000000, -0.0005898800000000, -0.0021587300000000 ] - [ 0.0005140700000000, -0.0005854100000000, -0.0017882300000000 ] - [ 0.0020988600000000, -0.0036518400000000, 0.0227519700000000 ] - [ -0.0001174300000000, 0.0001725300000000, 0.0021559800000000 ] - [ -0.0003648900000000, -0.0001188600000000, -0.0016296900000000 ] - [ -0.0003549500000000, -0.0001064100000000, -0.0014056900000000 ] - [ 0.0016744000000000, -0.0042486000000000, 0.0234394000000000 ] - [ -0.0003079200000000, -0.0000740500000000, 0.0036703900000000 ] - [ 0.0001468500000000, -0.0004228800000000, -0.0012770600000000 ] - [ 0.0001221800000000, -0.0004571200000000, -0.0010229000000000 ] - [ 0.0032385700000000, 0.0004103800000000, 0.0047264500000000 ] - [ 0.0268556600000000, 0.0089992900000000, 0.0296636500000000 ] - [ 0.0003575300000000, -0.0008092900000000, -0.0010868000000000 ] - [ 0.0004144200000000, -0.0007769300000000, -0.0012497100000000 ] - [ 0.0011210100000000, 0.0002033100000000, -0.0004161900000000 ] - [ -0.0002160000000000, 0.0001786300000000, -0.0012015800000000 ] - [ -0.0008124800000000, 0.0021692900000000, -0.0008649800000000 ] - [ 0.0012067700000000, 0.0027576500000000, -0.0015680600000000 ] - [ -0.0181498500000000, -0.0043131400000000, 0.0812811400000000 ] - [ -0.0007336800000000, 0.0000939600000000, 0.0031017800000000 ] - [ 0.0007029200000000, 0.0003503200000000, -0.0017662100000000 ] - [ 0.0009114000000000, 0.0003533700000000, -0.0012986000000000 ] - [ -0.0000011600000000, 0.0012005600000000, -0.0014285600000000 ] - [ -0.0006742600000000, 0.0008252500000000, -0.0009268600000000 ] - [ -0.0004389100000000, -0.0005950800000000, -0.0010606900000000 ] - [ 0.0006368000000000, -0.0005213400000000, -0.0009408900000000 ] - [ 0.0014635100000000, 0.0002993700000000, -0.0009902500000000 ] - [ -0.0026128500000000, 0.0012329600000000, -0.0030688200000000 ] - [ -0.0009141400000000, -0.0002411700000000, -0.0010814900000000 ] - [ 0.0014106100000000, -0.0009120100000000, -0.0023170500000000 ] - [ -0.0003918400000000, -0.0004585000000000, -0.0009648500000000 ] - [ -0.0000953000000000, -0.0001153200000000, -0.0005043200000000 ] - [ -0.0001387600000000, 0.0007329800000000, -0.0008411500000000 ] - [ -0.0003712500000000, 0.0004087100000000, -0.0004892200000000 ] - [ 0.0003916600000000, -0.0012360700000000, 0.0021667300000000 ] - [ -0.0004901500000000, -0.0010279300000000, 0.0012625200000000 ] - [ -0.0010647900000000, -0.0001718100000000, -0.0014075400000000 ] - [ -0.0009261800000000, -0.0002393900000000, -0.0012524200000000 ] - [ 0.0000286300000000, -0.0001770900000000, 0.0027997400000000 ] - [ 0.0000592800000000, -0.0004413400000000, 0.0019073400000000 ] - [ -0.0001676000000000, 0.0000002300000000, -0.0012311000000000 ] - [ -0.0001188700000000, 0.0000037600000000, -0.0010612300000000 ] - [ -0.0001902000000000, -0.0012407400000000, 0.0028587200000000 ] - [ -0.0003869800000000, -0.0003040000000000, 0.0015910800000000 ] - [ -0.0000801900000000, -0.0002340600000000, -0.0017941900000000 ] - [ -0.0000996200000000, -0.0002402000000000, -0.0016626400000000 ] - [ 0.0001007100000000, 0.0001976500000000, -0.0015747400000000 ] - [ -0.0007013200000000, 0.0002952100000000, -0.0019064700000000 ] - [ -0.0021256000000000, -0.0013324800000000, -0.0001689900000000 ] - [ 0.0017011600000000, -0.0033180700000000, -0.0014448900000000 ] - [ 0.0001534100000000, -0.0008158900000000, -0.0017988500000000 ] - [ 0.0000170000000000, -0.0003486400000000, -0.0008398100000000 ] - [ -0.0005822500000000, 0.0024718900000000, -0.0001216000000000 ] - [ 0.0004935500000000, 0.0008446100000000, 0.0009967600000000 ] - [ 0.0099342300000000, 0.0045103900000000, 0.0255870000000000 ] - [ 0.0009114200000000, -0.0000049300000000, 0.0039065500000000 ] - [ -0.0001024200000000, 0.0000081100000000, -0.0017404600000000 ] - [ -0.0001486100000000, 0.0000105000000000, -0.0014921900000000 ]- atom: 33 displacement: [ 0.0002094772357658, 0.0000000000000000, -0.0099978057236424 ] forces: - [ 0.0087857500000000, -0.0122948500000000, 0.0042537100000000 ] - [ -0.0067975500000000, -0.0065089200000000, 0.0010386800000000 ] - [ -0.0009248900000000, -0.0004331000000000, -0.0036266900000000 ] - [ -0.0000091300000000, -0.0004467400000000, -0.0033367400000000 ] - [ 0.0007004800000000, 0.0004832500000000, -0.0044211900000000 ] - [ -0.0014789900000000, 0.0003652900000000, -0.0036720700000000 ] - [ -0.0172327100000000, 0.0079434000000000, -0.0081406300000000 ] - [ 0.0139305000000000, 0.0046047300000000, -0.0011243000000000 ] - [ -0.0008420300000000, -0.0150657500000000, 0.0016672300000000 ] - [ 0.0008028000000000, -0.0021442500000000, 0.0030603900000000 ] - [ 0.0003287800000000, 0.0002908800000000, -0.0036441900000000 ] - [ 0.0002226100000000, -0.0000598000000000, -0.0026926200000000 ] - [ 0.0007142500000000, 0.0032611700000000, 0.0028472300000000 ] - [ 0.0002162400000000, 0.0011788600000000, 0.0021923900000000 ] - [ 0.0001552100000000, 0.0000879500000000, -0.0030290200000000 ] - [ 0.0003711900000000, 0.0002417800000000, -0.0023628900000000 ] - [ -0.0003073700000000, 0.0020980900000000, -0.0134672200000000 ] - [ 0.0007291500000000, -0.0003136800000000, -0.0006757200000000 ] - [ 0.0002470600000000, -0.0006306900000000, -0.0041293500000000 ] - [ 0.0004603700000000, -0.0004129500000000, -0.0019256500000000 ] - [ 0.0004600900000000, 0.0031960000000000, 0.0024799500000000 ] - [ 0.0005361400000000, 0.0004458200000000, 0.0010791600000000 ] - [ 0.0004608200000000, 0.0002127200000000, -0.0022838500000000 ] - [ 0.0004816700000000, 0.0002616600000000, -0.0019512400000000 ] - [ -0.0001680000000000, -0.0004731100000000, -0.0001241400000000 ] - [ -0.0008918200000000, -0.0005359800000000, -0.0000369200000000 ] - [ -0.0009311600000000, -0.0000447800000000, 0.0008900600000000 ] - [ 0.0000094900000000, 0.0000654200000000, 0.0010147600000000 ] - [ 0.0028757300000000, 0.0029553500000000, 0.0088139700000000 ] - [ -0.0040994100000000, 0.0035150700000000, 0.0054064500000000 ] - [ -0.0005862500000000, 0.0003855500000000, -0.0007808900000000 ] - [ -0.0005063100000000, 0.0003598200000000, -0.0007409300000000 ] - [ -0.0024549500000000, 0.0070302600000000, 0.2659805100000000 ] - [ 0.0005238400000000, 0.0014318300000000, 0.0081471800000000 ] - [ 0.0001757600000000, -0.0004581100000000, -0.0045069000000000 ] - [ 0.0000966700000000, -0.0004660800000000, -0.0036366200000000 ] - [ 0.0029663300000000, 0.0027843400000000, -0.0041457500000000 ] - [ -0.0035956900000000, 0.0034083000000000, -0.0030135700000000 ] - [ -0.0031131300000000, -0.0021611000000000, -0.0031143900000000 ] - [ 0.0022907000000000, -0.0025144900000000, -0.0040343000000000 ] - [ -0.0003990200000000, -0.0010538900000000, 0.0050769300000000 ] - [ 0.0004844800000000, -0.0004002800000000, 0.0050114000000000 ] - [ -0.0002821100000000, -0.0001237500000000, -0.0033238100000000 ] - [ -0.0004024600000000, -0.0001413300000000, -0.0033015700000000 ] - [ -0.0003419500000000, -0.0037855200000000, -0.0041276900000000 ] - [ 0.0003419100000000, -0.0005304800000000, -0.0011854100000000 ] - [ -0.0001694700000000, 0.0041259000000000, -0.0041222100000000 ] - [ -0.0001942400000000, 0.0017426300000000, -0.0012057100000000 ] - [ 0.0002616700000000, -0.0016590200000000, 0.0009692100000000 ] - [ -0.0017357400000000, -0.0002295400000000, -0.0001451300000000 ] - [ -0.0005284300000000, 0.0015466400000000, 0.0012470100000000 ] - [ -0.0002226200000000, 0.0010902700000000, 0.0006318100000000 ] - [ -0.0008467800000000, -0.0010318200000000, 0.0027557000000000 ] - [ 0.0007766700000000, -0.0003446600000000, 0.0011762700000000 ] - [ 0.0026546300000000, 0.0025309400000000, 0.0033197300000000 ] - [ -0.0010912800000000, 0.0008491600000000, 0.0005171100000000 ] - [ -0.0005443700000000, 0.0012293200000000, 0.0003060200000000 ] - [ 0.0003627600000000, 0.0006027500000000, 0.0002261800000000 ] - [ 0.0004239800000000, -0.0005180700000000, 0.0010453700000000 ] - [ -0.0001645100000000, -0.0002260500000000, 0.0006031500000000 ] - [ 0.0000795800000000, 0.0001278300000000, -0.0020126300000000 ] - [ -0.0007225000000000, -0.0000539900000000, -0.0028220400000000 ] - [ 0.0003378500000000, -0.0001175100000000, 0.0013929600000000 ] - [ 0.0003866800000000, -0.0000964700000000, 0.0014454200000000 ] - [ 0.0287712600000000, 0.0013317100000000, -0.0847450700000000 ] - [ 0.0011687500000000, -0.0002632400000000, -0.0017287500000000 ] - [ -0.0001111700000000, 0.0002017600000000, 0.0024146400000000 ] - [ -0.0001909300000000, 0.0001934600000000, 0.0018455900000000 ] - [ 0.0008353500000000, 0.0005035600000000, -0.0021852000000000 ] - [ -0.0000384800000000, 0.0002431800000000, -0.0018881700000000 ] - [ -0.0002463700000000, 0.0001126300000000, 0.0012309400000000 ] - [ -0.0000370800000000, 0.0001162000000000, 0.0010709100000000 ] - [ -0.0005243100000000, 0.0003515300000000, -0.0019955800000000 ] - [ -0.0000209100000000, 0.0002245500000000, -0.0022042800000000 ] - [ -0.0006613700000000, 0.0003220100000000, 0.0010693300000000 ] - [ -0.0008380600000000, 0.0003376500000000, 0.0011713300000000 ] - [ -0.0004771400000000, 0.0035708400000000, 0.0046211700000000 ] - [ 0.0004432600000000, 0.0006717200000000, 0.0009062700000000 ] - [ 0.0006743000000000, -0.0011864400000000, 0.0030342400000000 ] - [ -0.0004847800000000, -0.0004052500000000, 0.0017165400000000 ] - [ 0.0011697300000000, 0.0029386700000000, 0.0013231000000000 ] - [ -0.0000469600000000, 0.0002049100000000, 0.0001533700000000 ] - [ 0.0002382800000000, -0.0006169400000000, 0.0019643000000000 ] - [ 0.0004478300000000, -0.0004390200000000, 0.0013601500000000 ] - [ -0.0029365200000000, -0.0041399200000000, 0.0011635500000000 ] - [ 0.0014948500000000, -0.0014323500000000, -0.0006496300000000 ] - [ 0.0001541300000000, 0.0002786400000000, 0.0016843200000000 ] - [ -0.0004981100000000, 0.0002754800000000, 0.0013160700000000 ] - [ -0.0023024100000000, 0.0031106900000000, -0.0231598200000000 ] - [ -0.0002408900000000, -0.0002967900000000, -0.0026449500000000 ] - [ 0.0000032200000000, -0.0000085400000000, 0.0011429100000000 ] - [ -0.0000071300000000, -0.0000207900000000, 0.0009187100000000 ] - [ -0.0015650900000000, 0.0039019600000000, -0.0227609400000000 ] - [ 0.0005546600000000, -0.0005765900000000, -0.0028988500000000 ] - [ 0.0001047100000000, -0.0002248400000000, 0.0020442000000000 ] - [ 0.0001302100000000, -0.0001906800000000, 0.0017901400000000 ] - [ -0.0018492100000000, -0.0014482700000000, -0.0043317100000000 ] - [ -0.0257976100000000, -0.0101668200000000, -0.0290789100000000 ] - [ 0.0010290400000000, -0.0002280500000000, 0.0014918400000000 ] - [ 0.0009734700000000, -0.0002599700000000, 0.0016555700000000 ] - [ 0.0002638000000000, 0.0008358200000000, 0.0008185000000000 ] - [ 0.0016052900000000, 0.0008621400000000, 0.0016077100000000 ] - [ 0.0021947400000000, -0.0011261500000000, 0.0012695400000000 ] - [ 0.0001828300000000, -0.0017164300000000, 0.0019725700000000 ] - [ 0.0171835500000000, 0.0041949700000000, -0.0750722600000000 ] - [ 0.0018476300000000, 0.0004330600000000, -0.0026869700000000 ] - [ 0.0004139900000000, 0.0001800200000000, 0.0021732300000000 ] - [ 0.0002056200000000, 0.0001768400000000, 0.0017033200000000 ] - [ -0.0002514500000000, -0.0005563300000000, 0.0006608300000000 ] - [ 0.0004252400000000, -0.0001798600000000, 0.0001573400000000 ] - [ 0.0001862000000000, 0.0012404700000000, 0.0002983500000000 ] - [ -0.0008861300000000, 0.0011673600000000, 0.0001756800000000 ] - [ -0.0011051800000000, -0.0001707000000000, 0.0014750600000000 ] - [ 0.0029945400000000, -0.0011141100000000, 0.0035762200000000 ] - [ 0.0012716300000000, 0.0003674000000000, 0.0015689200000000 ] - [ -0.0010454200000000, 0.0010390400000000, 0.0028046300000000 ] - [ 0.0000292000000000, 0.0005872400000000, 0.0004762300000000 ] - [ -0.0002678200000000, 0.0002422600000000, 0.0000141600000000 ] - [ -0.0002228900000000, -0.0006042800000000, 0.0003565500000000 ] - [ 0.0000092000000000, -0.0002805500000000, 0.0000045800000000 ] - [ -0.0017782000000000, 0.0002022300000000, -0.0025652200000000 ] - [ -0.0008951700000000, -0.0000102500000000, -0.0016657300000000 ] - [ -0.0003221200000000, -0.0008662000000000, 0.0010026900000000 ] - [ -0.0004612100000000, -0.0007983700000000, 0.0008470900000000 ] - [ -0.0000762100000000, 0.0000950200000000, -0.0025803400000000 ] - [ -0.0001120800000000, 0.0003673300000000, -0.0016818500000000 ] - [ 0.0001168500000000, -0.0000723300000000, 0.0014584800000000 ] - [ 0.0000688900000000, -0.0000759400000000, 0.0012887900000000 ] - [ -0.0000561600000000, 0.0006037400000000, -0.0036279600000000 ] - [ 0.0001278500000000, -0.0003383200000000, -0.0023579900000000 ] - [ -0.0001726000000000, -0.0004147700000000, 0.0010276100000000 ] - [ -0.0001522400000000, -0.0004082800000000, 0.0008962400000000 ] - [ -0.0012194800000000, -0.0007284300000000, 0.0011691300000000 ] - [ -0.0004141100000000, -0.0008281900000000, 0.0015044900000000 ] - [ 0.0010065600000000, 0.0008016900000000, -0.0002243500000000 ] - [ -0.0028079800000000, 0.0027738600000000, 0.0010367500000000 ] - [ -0.0001688900000000, 0.0005083900000000, 0.0022724100000000 ] - [ -0.0000311500000000, 0.0000400300000000, 0.0013105700000000 ] - [ 0.0005638000000000, -0.0027710100000000, 0.0006042600000000 ] - [ -0.0005083400000000, -0.0011533100000000, -0.0005182500000000 ] - [ -0.0096133400000000, -0.0044386200000000, -0.0257596200000000 ] - [ -0.0008673800000000, -0.0000664500000000, -0.0041199800000000 ] - [ 0.0001525900000000, -0.0000802700000000, 0.0015136400000000 ] - [ 0.0002000300000000, -0.0000826500000000, 0.0012656700000000 ]- atom: 49 displacement: [ 0.0099999598693730, 0.0000000000000000, -0.0000283303887883 ] forces: - [ -0.0012501800000000, -0.0011979700000000, -0.0000614000000000 ] - [ 0.0001792200000000, -0.0014370200000000, 0.0008199600000000 ] - [ -0.0004455600000000, -0.0006643700000000, -0.0001101100000000 ] - [ -0.0002794900000000, -0.0006747900000000, -0.0003435500000000 ] - [ -0.0009911200000000, 0.0015153300000000, 0.0010164400000000 ] - [ -0.0005889100000000, -0.0012282900000000, -0.0014902100000000 ] - [ -0.0005464800000000, 0.0006276100000000, -0.0004128000000000 ] - [ -0.0001843500000000, 0.0005118500000000, 0.0001061500000000 ] - [ 0.0007956900000000, -0.0003655000000000, -0.0009274900000000 ] - [ -0.0001207500000000, -0.0004730900000000, 0.0002602300000000 ] - [ 0.0028204100000000, -0.0005593600000000, 0.0042986300000000 ] - [ -0.0024988900000000, -0.0004576100000000, -0.0023245000000000 ] - [ 0.0124337100000000, 0.0112784400000000, 0.0076356200000000 ] - [ -0.0037096900000000, 0.0035899100000000, 0.0021673400000000 ] - [ 0.0005192700000000, 0.0006156300000000, -0.0001607700000000 ] - [ 0.0001758100000000, 0.0006545900000000, -0.0003999100000000 ] - [ 0.0033341300000000, 0.0043116700000000, -0.0001457400000000 ] - [ -0.0014549700000000, -0.0012449500000000, -0.0007868700000000 ] - [ 0.0005736200000000, -0.0003447000000000, -0.0008611300000000 ] - [ 0.0004436500000000, -0.0003453100000000, -0.0008804000000000 ] - [ 0.0009671300000000, 0.0000940000000000, -0.0011982400000000 ] - [ 0.0001962400000000, 0.0002884800000000, -0.0007189400000000 ] - [ 0.0007556200000000, 0.0003149700000000, -0.0005768500000000 ] - [ 0.0002624200000000, 0.0003859900000000, -0.0009009000000000 ] - [ -0.0015128900000000, -0.0013133100000000, 0.0014517000000000 ] - [ 0.0006555900000000, 0.0015932800000000, 0.0003513700000000 ] - [ -0.0005919600000000, -0.0003831300000000, 0.0005107400000000 ] - [ -0.0004418600000000, -0.0003373500000000, 0.0007062800000000 ] - [ -0.0014758500000000, 0.0009522900000000, -0.0005409000000000 ] - [ 0.0006793300000000, -0.0002238600000000, 0.0036895600000000 ] - [ -0.0006906900000000, 0.0003772800000000, 0.0008044300000000 ] - [ -0.0003819100000000, 0.0003053900000000, 0.0003108200000000 ] - [ 0.0017166700000000, 0.0002333400000000, -0.0008888400000000 ] - [ -0.0012386900000000, -0.0006248000000000, 0.0010322900000000 ] - [ 0.0009959000000000, -0.0003487000000000, -0.0001211300000000 ] - [ -0.0005298100000000, -0.0005884500000000, -0.0004596900000000 ] - [ -0.0081575600000000, 0.0020350800000000, 0.0023534700000000 ] - [ 0.0841037600000000, 0.0258639100000000, 0.0268150300000000 ] - [ -0.0003850900000000, 0.0003401400000000, -0.0003622700000000 ] - [ -0.0000563600000000, 0.0003094000000000, -0.0002983700000000 ] - [ -0.0022530000000000, -0.0007518600000000, -0.0015737500000000 ] - [ 0.0010449500000000, 0.0003227700000000, 0.0005226100000000 ] - [ -0.0008780200000000, -0.0003453900000000, 0.0003923800000000 ] - [ 0.0004595100000000, 0.0000917400000000, -0.0009194500000000 ] - [ 0.0020920200000000, -0.0012467100000000, 0.0011468400000000 ] - [ -0.0013727200000000, 0.0003449000000000, 0.0001920300000000 ] - [ 0.0003934900000000, 0.0002704000000000, -0.0003391500000000 ] - [ 0.0000277200000000, 0.0002791300000000, -0.0002085200000000 ] - [ -0.1386777300000000, -0.0544003100000000, -0.0453465600000000 ] - [ 0.0024102300000000, 0.0007993800000000, -0.0000243600000000 ] - [ -0.0007658300000000, 0.0005072400000000, -0.0001199400000000 ] - [ -0.0005769700000000, 0.0005520200000000, -0.0000778400000000 ] - [ 0.0048642400000000, -0.0043935300000000, -0.0047301100000000 ] - [ 0.0023335400000000, 0.0016494100000000, 0.0018098900000000 ] - [ -0.0000044100000000, -0.0000021200000000, 0.0002793000000000 ] - [ -0.0000281500000000, 0.0000331500000000, 0.0001539900000000 ] - [ 0.0001474600000000, 0.0015390000000000, -0.0009593000000000 ] - [ 0.0002514500000000, -0.0006684900000000, -0.0003573400000000 ] - [ 0.0000208900000000, 0.0000471100000000, 0.0000073700000000 ] - [ 0.0000509500000000, 0.0000344500000000, -0.0000075600000000 ] - [ 0.0007220000000000, 0.0001933400000000, 0.0004981100000000 ] - [ -0.0001890800000000, -0.0000324800000000, 0.0001144400000000 ] - [ 0.0003799000000000, -0.0000468500000000, 0.0002039500000000 ] - [ -0.0000184400000000, -0.0001220500000000, 0.0003615900000000 ] - [ -0.0004002800000000, -0.0008643600000000, 0.0011077000000000 ] - [ 0.0009009800000000, 0.0011242700000000, -0.0006981500000000 ] - [ -0.0001012600000000, 0.0001660600000000, 0.0002705400000000 ] - [ 0.0000508100000000, 0.0002027000000000, 0.0004827000000000 ] - [ 0.0001265400000000, 0.0002124100000000, 0.0003839600000000 ] - [ -0.0001152100000000, 0.0000296700000000, -0.0004029200000000 ] - [ 0.0002710800000000, 0.0003902600000000, -0.0009900500000000 ] - [ -0.0002503600000000, -0.0004014900000000, 0.0006939900000000 ] - [ 0.0012434800000000, 0.0004292800000000, -0.0000619900000000 ] - [ -0.0025116900000000, -0.0004207400000000, -0.0007866100000000 ] - [ -0.0004409600000000, 0.0002647800000000, -0.0001568400000000 ] - [ -0.0007130200000000, 0.0002386400000000, -0.0000287900000000 ] - [ -0.0003478600000000, 0.0001014900000000, 0.0001063000000000 ] - [ 0.0007154000000000, 0.0009449700000000, 0.0003112500000000 ] - [ 0.0000951200000000, 0.0003290200000000, 0.0005075000000000 ] - [ 0.0001627200000000, 0.0003447300000000, 0.0004710600000000 ] - [ -0.0003098700000000, 0.0003168300000000, 0.0001059500000000 ] - [ 0.0012654200000000, -0.0002654000000000, -0.0001089400000000 ] - [ 0.0004658400000000, -0.0002464600000000, 0.0003172300000000 ] - [ 0.0006182100000000, -0.0002562000000000, 0.0003117400000000 ] - [ 0.0062057700000000, -0.0016904500000000, 0.0011439300000000 ] - [ 0.0190544100000000, 0.0042774900000000, -0.0106053000000000 ] - [ 0.0000278600000000, -0.0001718400000000, -0.0001493200000000 ] - [ -0.0000333400000000, -0.0001495700000000, -0.0000312000000000 ] - [ -0.0012944300000000, -0.0003833900000000, 0.0000857300000000 ] - [ 0.0006506500000000, -0.0001789700000000, -0.0003354800000000 ] - [ -0.0006144100000000, -0.0000825400000000, -0.0001574300000000 ] - [ 0.0001710400000000, 0.0000051700000000, -0.0000038000000000 ] - [ -0.0000384600000000, -0.0002402900000000, 0.0006904800000000 ] - [ 0.0002562000000000, -0.0001244300000000, 0.0001155300000000 ] - [ -0.0000526600000000, -0.0002658500000000, 0.0003051600000000 ] - [ 0.0002889800000000, -0.0002184400000000, 0.0006320600000000 ] - [ 0.0014411900000000, -0.0004121300000000, 0.0003611600000000 ] - [ -0.0001575100000000, -0.0004798600000000, -0.0002112000000000 ] - [ 0.0008961200000000, -0.0004484400000000, 0.0002848200000000 ] - [ 0.0005524000000000, -0.0004639200000000, 0.0003288100000000 ] - [ 0.0013391200000000, 0.0004164400000000, 0.0002014200000000 ] - [ -0.0001679800000000, 0.0013488600000000, -0.0000662000000000 ] - [ 0.0008139500000000, 0.0004953800000000, 0.0003305200000000 ] - [ 0.0006005800000000, 0.0005505100000000, 0.0002562400000000 ] - [ 0.0002816100000000, 0.0001849400000000, 0.0003321300000000 ] - [ 0.0007997500000000, 0.0003145800000000, 0.0001641700000000 ] - [ -0.0002988400000000, 0.0003779200000000, 0.0004043800000000 ] - [ 0.0011969400000000, 0.0004083000000000, 0.0002288700000000 ] - [ 0.0049935900000000, 0.0017490000000000, -0.0027132400000000 ] - [ 0.0101294600000000, -0.0052114500000000, 0.0042219300000000 ] - [ -0.0000950200000000, 0.0002987300000000, -0.0002026100000000 ] - [ -0.0001559100000000, 0.0003213900000000, -0.0003070800000000 ] - [ 0.0017456100000000, -0.0006005600000000, 0.0001182600000000 ] - [ -0.0001921100000000, 0.0114709500000000, 0.0028188900000000 ] - [ 0.0002591400000000, 0.0000587600000000, 0.0003521100000000 ] - [ 0.0001293100000000, 0.0000675800000000, 0.0003163200000000 ] - [ -0.0021544400000000, 0.0011643500000000, -0.0012829000000000 ] - [ 0.0009423900000000, -0.0001466700000000, -0.0002227200000000 ] - [ -0.0002435700000000, 0.0000679700000000, -0.0001354500000000 ] - [ -0.0000845000000000, 0.0000631900000000, -0.0001276000000000 ] - [ -0.0013764700000000, -0.0004717400000000, -0.0000826800000000 ] - [ -0.0000741400000000, -0.0006474300000000, 0.0000378600000000 ] - [ -0.0013761400000000, -0.0004266800000000, -0.0002980400000000 ] - [ -0.0000748100000000, -0.0008206700000000, 0.0000162800000000 ] - [ 0.0008654300000000, 0.0018391300000000, 0.0024342900000000 ] - [ -0.0000797900000000, -0.0002570500000000, -0.0002041900000000 ] - [ -0.0000693200000000, 0.0000086600000000, 0.0000198400000000 ] - [ 0.0000422600000000, -0.0001263800000000, 0.0003708000000000 ] - [ 0.0005886500000000, -0.0003227700000000, 0.0010201900000000 ] - [ -0.0003462100000000, -0.0011107300000000, -0.0014157800000000 ] - [ 0.0000109700000000, -0.0002894500000000, -0.0006120500000000 ] - [ -0.0001672000000000, -0.0005052400000000, 0.0000986900000000 ] - [ 0.0011810600000000, -0.0002651900000000, -0.0011786400000000 ] - [ -0.0008292300000000, 0.0013095500000000, 0.0100347600000000 ] - [ -0.0004047900000000, -0.0003016600000000, -0.0000379200000000 ] - [ -0.0007584200000000, -0.0003043300000000, -0.0001240200000000 ] - [ -0.0002560500000000, 0.0000274400000000, -0.0001775200000000 ] - [ 0.0003250600000000, -0.0001158900000000, 0.0002723700000000 ] - [ -0.0000933800000000, -0.0001064500000000, 0.0004973300000000 ] - [ 0.0000576400000000, -0.0001289000000000, 0.0002696000000000 ] - [ -0.0000256200000000, -0.0002290300000000, 0.0003272900000000 ] - [ 0.0001737200000000, 0.0001106900000000, -0.0006203000000000 ] - [ -0.0001506100000000, -0.0002050100000000, -0.0005003900000000 ] - [ 0.0004103000000000, 0.0002857000000000, 0.0004975200000000 ]- atom: 49 displacement: [ -0.0099999598693730, 0.0000000000000000, 0.0000283303887883 ] forces: - [ 0.0005405600000000, -0.0000361200000000, 0.0000722300000000 ] - [ -0.0008994900000000, 0.0002058300000000, -0.0008062200000000 ] - [ -0.0002669000000000, -0.0005648900000000, 0.0001181700000000 ] - [ -0.0004341600000000, -0.0005546400000000, 0.0003506600000000 ] - [ 0.0002820200000000, -0.0002821700000000, -0.0010034700000000 ] - [ -0.0001368800000000, 0.0024488200000000, 0.0014888700000000 ] - [ -0.0001649700000000, 0.0006006300000000, 0.0004207200000000 ] - [ -0.0005310200000000, 0.0007170300000000, -0.0000974700000000 ] - [ -0.0000776500000000, -0.0008598800000000, 0.0009185300000000 ] - [ 0.0008312300000000, -0.0007556700000000, -0.0002736800000000 ] - [ -0.0020717300000000, -0.0006662100000000, -0.0043180900000000 ] - [ 0.0032009400000000, -0.0007658700000000, 0.0023273800000000 ] - [ -0.0115462700000000, -0.0096544500000000, -0.0073722800000000 ] - [ 0.0044187000000000, -0.0023795400000000, -0.0021872700000000 ] - [ 0.0001948600000000, 0.0006134600000000, 0.0001498800000000 ] - [ 0.0005360500000000, 0.0005742200000000, 0.0003892300000000 ] - [ -0.0022587200000000, -0.0050460600000000, -0.0013686200000000 ] - [ 0.0024749700000000, 0.0005578700000000, -0.0007237200000000 ] - [ 0.0004487000000000, -0.0003503600000000, -0.0006533100000000 ] - [ 0.0005786100000000, -0.0003494400000000, -0.0006348400000000 ] - [ 0.0000577400000000, 0.0005989200000000, -0.0003168800000000 ] - [ 0.0008255300000000, 0.0004058700000000, -0.0007968500000000 ] - [ 0.0002688400000000, 0.0003796400000000, -0.0009384600000000 ] - [ 0.0007591400000000, 0.0003078700000000, -0.0006132400000000 ] - [ 0.0004906700000000, 0.0006106000000000, 0.0000666800000000 ] - [ -0.0016930000000000, -0.0022887300000000, 0.0011622800000000 ] - [ -0.0004302100000000, -0.0003114400000000, 0.0010018600000000 ] - [ -0.0005814300000000, -0.0003570400000000, 0.0008074600000000 ] - [ 0.0004552200000000, -0.0002532700000000, 0.0020450700000000 ] - [ -0.0017232600000000, 0.0009169400000000, -0.0021750700000000 ] - [ -0.0003305900000000, 0.0003175600000000, 0.0007091500000000 ] - [ -0.0006409800000000, 0.0003893100000000, 0.0012006400000000 ] - [ -0.0012786200000000, -0.0008459200000000, 0.0009482500000000 ] - [ 0.0016650400000000, 0.0000284400000000, -0.0009878100000000 ] - [ -0.0005624200000000, -0.0002543500000000, 0.0001674100000000 ] - [ 0.0009540300000000, -0.0000132200000000, 0.0005103700000000 ] - [ 0.0077077500000000, -0.0014109500000000, -0.0023783000000000 ] - [ -0.0898073800000000, -0.0276112900000000, -0.0293776200000000 ] - [ -0.0000430600000000, 0.0002619100000000, 0.0003093800000000 ] - [ -0.0003733200000000, 0.0002923500000000, 0.0002459600000000 ] - [ 0.0018183200000000, 0.0001495100000000, 0.0015128500000000 ] - [ -0.0014799200000000, -0.0009237000000000, -0.0005645600000000 ] - [ 0.0004506500000000, -0.0002565100000000, -0.0004404600000000 ] - [ -0.0008914000000000, -0.0006912600000000, 0.0008659800000000 ] - [ -0.0016469300000000, 0.0018550600000000, -0.0010886600000000 ] - [ 0.0017951000000000, 0.0002489600000000, -0.0001388700000000 ] - [ 0.0000359100000000, 0.0003312900000000, 0.0003882600000000 ] - [ 0.0004000100000000, 0.0003225800000000, 0.0002574600000000 ] - [ 0.1425169400000000, 0.0575106300000000, 0.0471111000000000 ] - [ -0.0037923200000000, 0.0002383800000000, -0.0003844100000000 ] - [ -0.0006216600000000, 0.0005303900000000, -0.0002854200000000 ] - [ -0.0008101200000000, 0.0004857900000000, -0.0003273800000000 ] - [ -0.0048679000000000, 0.0043911700000000, 0.0048843600000000 ] - [ -0.0023843800000000, -0.0015918500000000, -0.0015974100000000 ] - [ -0.0000482200000000, 0.0000736300000000, -0.0000536400000000 ] - [ -0.0000232100000000, 0.0000383700000000, 0.0000722400000000 ] - [ -0.0001010800000000, -0.0014617300000000, 0.0007281000000000 ] - [ -0.0001953700000000, 0.0007439500000000, 0.0001319900000000 ] - [ 0.0000304300000000, 0.0000245700000000, -0.0002325800000000 ] - [ 0.0000010100000000, 0.0000372700000000, -0.0002174800000000 ] - [ -0.0003581000000000, -0.0003195400000000, -0.0000106300000000 ] - [ 0.0005506000000000, -0.0000962100000000, 0.0003698500000000 ] - [ -0.0000179900000000, -0.0000805900000000, 0.0002813200000000 ] - [ 0.0003808900000000, -0.0000058500000000, 0.0001252100000000 ] - [ 0.0003751100000000, 0.0011762000000000, -0.0006381400000000 ] - [ -0.0009150000000000, -0.0008227300000000, 0.0011724500000000 ] - [ 0.0000854500000000, 0.0001432500000000, 0.0002027900000000 ] - [ -0.0000651300000000, 0.0001063700000000, -0.0000091200000000 ] - [ -0.0001121300000000, 0.0000962400000000, -0.0008533500000000 ] - [ 0.0001310100000000, 0.0002798100000000, -0.0000695700000000 ] - [ -0.0002581600000000, -0.0000802800000000, 0.0005128400000000 ] - [ 0.0002690900000000, 0.0007108400000000, -0.0011691400000000 ] - [ -0.0023603300000000, 0.0001031400000000, -0.0003413200000000 ] - [ 0.0013992700000000, 0.0009415700000000, 0.0003712900000000 ] - [ -0.0006760500000000, 0.0002658900000000, -0.0002482800000000 ] - [ -0.0004037500000000, 0.0002919600000000, -0.0003746400000000 ] - [ 0.0005949900000000, 0.0005490000000000, 0.0006604000000000 ] - [ -0.0004570700000000, -0.0002943400000000, 0.0004544400000000 ] - [ 0.0001571000000000, 0.0003198500000000, 0.0002600800000000 ] - [ 0.0000904000000000, 0.0003040500000000, 0.0002966100000000 ] - [ 0.0014226600000000, -0.0008462900000000, 0.0002946000000000 ] - [ -0.0001469700000000, -0.0002638900000000, 0.0005127400000000 ] - [ 0.0006505100000000, -0.0002841900000000, 0.0000877600000000 ] - [ 0.0004987500000000, -0.0002744500000000, 0.0000932000000000 ] - [ -0.0060913000000000, 0.0013567200000000, -0.0015762900000000 ] - [ -0.0194069700000000, -0.0047054800000000, 0.0103490900000000 ] - [ -0.0000133300000000, -0.0001370600000000, -0.0003231800000000 ] - [ 0.0000485600000000, -0.0001594300000000, -0.0004407400000000 ] - [ 0.0009277400000000, 0.0002619400000000, -0.0005877600000000 ] - [ -0.0010116700000000, 0.0000499600000000, -0.0001458900000000 ] - [ 0.0002507300000000, -0.0000445800000000, -0.0003268700000000 ] - [ -0.0005320900000000, -0.0001334600000000, -0.0004831900000000 ] - [ 0.0002887900000000, -0.0004057300000000, 0.0000763000000000 ] - [ -0.0000019200000000, -0.0005257000000000, 0.0006523100000000 ] - [ 0.0003033300000000, -0.0003823600000000, 0.0004623800000000 ] - [ -0.0000349300000000, -0.0004298500000000, 0.0001360000000000 ] - [ -0.0000547700000000, -0.0006270700000000, 0.0000455100000000 ] - [ 0.0015464900000000, -0.0005544000000000, 0.0006139400000000 ] - [ 0.0004911600000000, -0.0005892800000000, 0.0001203900000000 ] - [ 0.0008351400000000, -0.0005727900000000, 0.0000782500000000 ] - [ 0.0000482500000000, 0.0006225800000000, 0.0002030800000000 ] - [ 0.0015558800000000, -0.0003106200000000, 0.0004725400000000 ] - [ 0.0005734000000000, 0.0005424500000000, 0.0000757000000000 ] - [ 0.0007868700000000, 0.0004872500000000, 0.0001496300000000 ] - [ 0.0008344000000000, 0.0003472300000000, 0.0000704900000000 ] - [ 0.0003171500000000, 0.0002152300000000, 0.0002420100000000 ] - [ 0.0014112200000000, 0.0001544200000000, 0.0000042300000000 ] - [ -0.0000779700000000, 0.0001215400000000, 0.0001741500000000 ] - [ -0.0051695200000000, -0.0010624700000000, 0.0019098200000000 ] - [ -0.0105299000000000, 0.0059428300000000, -0.0050728400000000 ] - [ -0.0001579400000000, 0.0003500600000000, -0.0005643000000000 ] - [ -0.0000961200000000, 0.0003275200000000, -0.0004597600000000 ] - [ -0.0013820700000000, 0.0007217000000000, 0.0003641000000000 ] - [ 0.0006390900000000, -0.0113065300000000, -0.0023237100000000 ] - [ 0.0001026700000000, 0.0000688600000000, 0.0001342400000000 ] - [ 0.0002328400000000, 0.0000601000000000, 0.0001699600000000 ] - [ 0.0017790100000000, -0.0010706000000000, 0.0008000200000000 ] - [ -0.0013029900000000, 0.0002805600000000, -0.0002647100000000 ] - [ -0.0001186500000000, 0.0000598500000000, -0.0003504300000000 ] - [ -0.0002772000000000, 0.0000646400000000, -0.0003579900000000 ] - [ -0.0000132400000000, -0.0005672200000000, -0.0003248900000000 ] - [ -0.0013116100000000, -0.0003902100000000, -0.0004416800000000 ] - [ -0.0000117900000000, -0.0006124500000000, -0.0001056100000000 ] - [ -0.0013122500000000, -0.0002168200000000, -0.0004235900000000 ] - [ -0.0009099900000000, -0.0018963100000000, -0.0021904500000000 ] - [ 0.0000324000000000, 0.0001861700000000, 0.0004301200000000 ] - [ 0.0000166200000000, -0.0000802700000000, 0.0002052600000000 ] - [ -0.0000930500000000, 0.0000545800000000, -0.0001452600000000 ] - [ -0.0008427000000000, -0.0003267000000000, -0.0017820700000000 ] - [ 0.0000990200000000, 0.0004652100000000, 0.0006506500000000 ] - [ -0.0002652700000000, -0.0003599200000000, -0.0001554400000000 ] - [ -0.0000836800000000, -0.0001443200000000, -0.0008651200000000 ] - [ -0.0022952300000000, -0.0002674500000000, 0.0007658300000000 ] - [ -0.0002159200000000, -0.0018397400000000, -0.0104125500000000 ] - [ -0.0007125600000000, -0.0002288900000000, -0.0003661700000000 ] - [ -0.0003578800000000, -0.0002260900000000, -0.0002812700000000 ] - [ 0.0002365400000000, -0.0003379300000000, 0.0006512900000000 ] - [ -0.0003372900000000, -0.0001909400000000, 0.0001988200000000 ] - [ 0.0000776200000000, -0.0002021800000000, -0.0000239500000000 ] - [ -0.0000722100000000, -0.0001801800000000, 0.0002035900000000 ] - [ 0.0000728700000000, 0.0001570700000000, -0.0005532700000000 ] - [ -0.0001190500000000, -0.0001827600000000, 0.0003966900000000 ] - [ 0.0001997500000000, 0.0001336500000000, 0.0002736200000000 ] - [ -0.0003540300000000, -0.0003563900000000, -0.0007208400000000 ]- atom: 49 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0004456700000000, -0.0027915300000000, 0.0002309400000000 ] - [ -0.0004639200000000, -0.0031775100000000, 0.0008748200000000 ] - [ -0.0003596800000000, -0.0008059600000000, -0.0002319000000000 ] - [ -0.0003479600000000, -0.0008521800000000, -0.0003056900000000 ] - [ 0.0001708900000000, -0.0004626800000000, -0.0004184300000000 ] - [ -0.0018397100000000, -0.0014566400000000, -0.0026464400000000 ] - [ -0.0003281400000000, 0.0004447900000000, -0.0000147000000000 ] - [ -0.0003895500000000, 0.0004302500000000, 0.0001118300000000 ] - [ 0.0005520400000000, 0.0001867800000000, -0.0005406200000000 ] - [ 0.0002540300000000, -0.0001942100000000, -0.0001911600000000 ] - [ 0.0007581500000000, 0.0021785900000000, 0.0007720300000000 ] - [ -0.0000798200000000, 0.0006742600000000, 0.0001069800000000 ] - [ 0.0133448600000000, 0.0200887500000000, 0.0116973200000000 ] - [ 0.0007972200000000, 0.0018581700000000, -0.0000872600000000 ] - [ 0.0003811200000000, 0.0006901500000000, -0.0001790400000000 ] - [ 0.0003172400000000, 0.0006740000000000, -0.0002064700000000 ] - [ 0.0057752300000000, -0.0058256400000000, -0.0001651400000000 ] - [ -0.0003576100000000, -0.0004405000000000, -0.0005046000000000 ] - [ 0.0005294200000000, -0.0003303800000000, -0.0008762500000000 ] - [ 0.0004896900000000, -0.0003297600000000, -0.0008741800000000 ] - [ 0.0006891800000000, -0.0002021700000000, -0.0012370000000000 ] - [ 0.0004224400000000, 0.0001119800000000, -0.0008906400000000 ] - [ 0.0005473900000000, 0.0001015000000000, -0.0005194300000000 ] - [ 0.0004738600000000, 0.0001567500000000, -0.0007464300000000 ] - [ -0.0011336400000000, -0.0007174500000000, 0.0013930800000000 ] - [ 0.0008859700000000, -0.0015090100000000, 0.0018717200000000 ] - [ -0.0005504700000000, -0.0003870800000000, 0.0005181900000000 ] - [ -0.0004841400000000, -0.0003725200000000, 0.0005818900000000 ] - [ -0.0005002900000000, 0.0010253200000000, 0.0009588300000000 ] - [ -0.0007575500000000, 0.0010108100000000, 0.0021397200000000 ] - [ -0.0005058200000000, 0.0004567200000000, 0.0006217100000000 ] - [ -0.0005300100000000, 0.0004647600000000, 0.0004706400000000 ] - [ 0.0006559800000000, -0.0006432500000000, 0.0022012100000000 ] - [ -0.0002284900000000, -0.0003541300000000, 0.0007655300000000 ] - [ 0.0005692500000000, -0.0003882800000000, -0.0009972100000000 ] - [ -0.0001037500000000, -0.0003144800000000, -0.0005539900000000 ] - [ 0.0006158900000000, 0.0040005000000000, 0.0009231400000000 ] - [ 0.0241623600000000, 0.0286343600000000, 0.0099608600000000 ] - [ -0.0002419000000000, 0.0004323100000000, -0.0003195900000000 ] - [ -0.0001972300000000, 0.0004248700000000, -0.0002858400000000 ] - [ -0.0017649100000000, -0.0004633600000000, -0.0017155400000000 ] - [ 0.0011399500000000, -0.0003999900000000, -0.0022396800000000 ] - [ -0.0003997100000000, -0.0002852200000000, 0.0002869800000000 ] - [ -0.0001034600000000, -0.0002053000000000, 0.0003161600000000 ] - [ 0.0001498500000000, -0.0056286400000000, 0.0007485600000000 ] - [ -0.0000589300000000, -0.0013627300000000, 0.0005309500000000 ] - [ 0.0002623700000000, 0.0001508800000000, -0.0003239500000000 ] - [ 0.0001643000000000, 0.0001833000000000, -0.0002573500000000 ] - [ -0.0567143100000000, -0.0670725000000000, -0.0326621500000000 ] - [ -0.0004087700000000, -0.0002029200000000, -0.0002664800000000 ] - [ -0.0007049200000000, 0.0004821800000000, -0.0001160500000000 ] - [ -0.0006598700000000, 0.0005009000000000, -0.0001088900000000 ] - [ -0.0052004000000000, 0.0004792800000000, 0.0028306500000000 ] - [ 0.0019219900000000, -0.0008560900000000, 0.0010403700000000 ] - [ -0.0000272500000000, -0.0000454700000000, 0.0002078800000000 ] - [ -0.0000136300000000, -0.0000188600000000, 0.0001836500000000 ] - [ 0.0007135600000000, 0.0019066500000000, -0.0007364300000000 ] - [ -0.0004453600000000, 0.0008256100000000, -0.0002418300000000 ] - [ 0.0000322800000000, 0.0000760900000000, 0.0000097000000000 ] - [ 0.0000369000000000, 0.0000749300000000, -0.0000040400000000 ] - [ 0.0005531700000000, 0.0003732200000000, 0.0004551800000000 ] - [ 0.0000386600000000, 0.0006043800000000, 0.0005457400000000 ] - [ 0.0002516400000000, 0.0000678900000000, 0.0002222300000000 ] - [ 0.0001517500000000, 0.0001375500000000, 0.0002042900000000 ] - [ -0.0010352800000000, 0.0011879400000000, -0.0014407300000000 ] - [ 0.0004114800000000, 0.0003919300000000, -0.0003887300000000 ] - [ -0.0000663100000000, 0.0001870000000000, 0.0004297900000000 ] - [ 0.0000096800000000, 0.0001670400000000, 0.0004503400000000 ] - [ 0.0000869500000000, 0.0001365100000000, 0.0003207400000000 ] - [ -0.0001398200000000, 0.0001141000000000, 0.0000064800000000 ] - [ 0.0001486100000000, 0.0001426900000000, -0.0007347700000000 ] - [ -0.0001492600000000, 0.0000855000000000, -0.0007474100000000 ] - [ 0.0007551500000000, 0.0003843700000000, 0.0001574800000000 ] - [ -0.0028089700000000, 0.0018406300000000, 0.0024453700000000 ] - [ -0.0005490700000000, 0.0002623100000000, -0.0001611300000000 ] - [ -0.0006075700000000, 0.0002583300000000, -0.0001673300000000 ] - [ -0.0003856000000000, 0.0021795500000000, 0.0003315400000000 ] - [ 0.0008787400000000, 0.0014373000000000, 0.0002532600000000 ] - [ 0.0001278300000000, 0.0003830700000000, 0.0004861300000000 ] - [ 0.0001499500000000, 0.0003729700000000, 0.0004720800000000 ] - [ 0.0001804300000000, 0.0013946500000000, 0.0002480600000000 ] - [ 0.0007413600000000, 0.0001706500000000, 0.0000005900000000 ] - [ 0.0005190100000000, -0.0002060800000000, 0.0003176900000000 ] - [ 0.0005568800000000, -0.0002174200000000, 0.0003123600000000 ] - [ -0.0004659900000000, -0.0021289800000000, -0.0009153300000000 ] - [ 0.0063166900000000, -0.0038338400000000, -0.0031297700000000 ] - [ -0.0000006700000000, -0.0002049500000000, -0.0001083700000000 ] - [ 0.0000041400000000, -0.0002049000000000, -0.0000882900000000 ] - [ -0.0004209100000000, -0.0008206800000000, -0.0011150100000000 ] - [ 0.0000208300000000, -0.0003456200000000, -0.0003827700000000 ] - [ -0.0002678800000000, -0.0002463700000000, -0.0000160700000000 ] - [ -0.0000924900000000, -0.0001961800000000, -0.0001376900000000 ] - [ -0.0000697600000000, 0.0003814300000000, 0.0001225500000000 ] - [ 0.0001733400000000, -0.0000272500000000, 0.0002175700000000 ] - [ -0.0000014700000000, -0.0000294500000000, 0.0005377300000000 ] - [ 0.0002725700000000, -0.0001250900000000, 0.0007001700000000 ] - [ 0.0008028500000000, -0.0003252100000000, 0.0000987900000000 ] - [ 0.0007278000000000, -0.0000342500000000, -0.0005245600000000 ] - [ 0.0007646100000000, -0.0004574300000000, 0.0003585800000000 ] - [ 0.0007490200000000, -0.0004084500000000, 0.0005070800000000 ] - [ 0.0007971900000000, 0.0010248500000000, 0.0000061500000000 ] - [ -0.0001397400000000, 0.0027736000000000, -0.0000686400000000 ] - [ 0.0007178400000000, 0.0005719700000000, 0.0002907900000000 ] - [ 0.0006622200000000, 0.0005941500000000, 0.0002759800000000 ] - [ 0.0004761100000000, 0.0003100100000000, -0.0000180500000000 ] - [ 0.0006130800000000, 0.0002823800000000, 0.0001406900000000 ] - [ 0.0001701100000000, 0.0004563500000000, 0.0011458400000000 ] - [ 0.0007302100000000, 0.0002919100000000, 0.0004195100000000 ] - [ 0.0026155500000000, -0.0011277000000000, -0.0017900400000000 ] - [ -0.0054705100000000, -0.0008048600000000, -0.0025457800000000 ] - [ -0.0001151300000000, 0.0002584500000000, -0.0002320100000000 ] - [ -0.0001243400000000, 0.0002694600000000, -0.0002690400000000 ] - [ -0.0001233800000000, 0.0000164400000000, -0.0000255000000000 ] - [ 0.0124697900000000, 0.0233906400000000, 0.0072844500000000 ] - [ 0.0002040000000000, 0.0000382200000000, 0.0003239400000000 ] - [ 0.0001861200000000, 0.0000388100000000, 0.0003150200000000 ] - [ 0.0002904200000000, 0.0067377900000000, -0.0024717200000000 ] - [ -0.0000648500000000, 0.0003696000000000, -0.0004214700000000 ] - [ -0.0001802000000000, 0.0000951400000000, -0.0001031600000000 ] - [ -0.0001360200000000, 0.0000903000000000, -0.0001216400000000 ] - [ -0.0007859900000000, -0.0007284300000000, 0.0005426700000000 ] - [ -0.0003885400000000, -0.0006455700000000, 0.0001121700000000 ] - [ -0.0007422100000000, -0.0007296800000000, -0.0004184000000000 ] - [ -0.0005635800000000, -0.0006460700000000, -0.0002143300000000 ] - [ 0.0008614000000000, 0.0019361300000000, 0.0023287200000000 ] - [ -0.0004510900000000, 0.0003421400000000, 0.0002737700000000 ] - [ -0.0000224000000000, 0.0000228400000000, 0.0000575400000000 ] - [ -0.0000419500000000, 0.0000220300000000, 0.0000943500000000 ] - [ 0.0004955900000000, -0.0010915200000000, 0.0007312100000000 ] - [ -0.0005185900000000, -0.0011302700000000, -0.0003090800000000 ] - [ -0.0001418100000000, -0.0004844700000000, -0.0004030000000000 ] - [ -0.0001303900000000, -0.0005762800000000, -0.0003091200000000 ] - [ -0.0006910900000000, -0.0009900200000000, -0.0002994700000000 ] - [ 0.0013564300000000, -0.0041342300000000, 0.0046432200000000 ] - [ -0.0005452000000000, -0.0003674000000000, -0.0000761700000000 ] - [ -0.0006216200000000, -0.0003826300000000, -0.0001278300000000 ] - [ 0.0002552000000000, 0.0008436100000000, -0.0003069600000000 ] - [ 0.0001568600000000, 0.0003601800000000, 0.0001020500000000 ] - [ -0.0000253700000000, -0.0000101400000000, 0.0004405300000000 ] - [ 0.0000070200000000, -0.0000605100000000, 0.0003513200000000 ] - [ -0.0001851000000000, -0.0002775600000000, -0.0004251900000000 ] - [ 0.0001505500000000, -0.0001187600000000, -0.0003858100000000 ] - [ -0.0001001400000000, -0.0001817400000000, 0.0001288100000000 ] - [ 0.0002949200000000, -0.0001270600000000, 0.0002988800000000 ]- atom: 49 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0002768600000000, 0.0015521800000000, -0.0002231300000000 ] - [ -0.0002380200000000, 0.0019481400000000, -0.0008713400000000 ] - [ -0.0003532200000000, -0.0004226600000000, 0.0002387500000000 ] - [ -0.0003644800000000, -0.0003763300000000, 0.0003125400000000 ] - [ -0.0008865400000000, 0.0016827800000000, 0.0004334700000000 ] - [ 0.0011367400000000, 0.0026708100000000, 0.0026763600000000 ] - [ -0.0003855400000000, 0.0007816800000000, 0.0000203200000000 ] - [ -0.0003223600000000, 0.0007959100000000, -0.0001042300000000 ] - [ 0.0001649900000000, -0.0014092500000000, 0.0005257500000000 ] - [ 0.0004561000000000, -0.0010313600000000, 0.0001819200000000 ] - [ -0.0000138800000000, -0.0033936600000000, -0.0008068300000000 ] - [ 0.0007721800000000, -0.0019006600000000, -0.0001303900000000 ] - [ -0.0120246400000000, -0.0183008500000000, -0.0111640700000000 ] - [ -0.0001038600000000, -0.0006030000000000, 0.0000960200000000 ] - [ 0.0003326500000000, 0.0005390700000000, 0.0001654600000000 ] - [ 0.0003946100000000, 0.0005549200000000, 0.0001927100000000 ] - [ -0.0047578600000000, 0.0050804900000000, -0.0013484500000000 ] - [ 0.0013762100000000, -0.0002642000000000, -0.0010103500000000 ] - [ 0.0004934500000000, -0.0003644700000000, -0.0006397800000000 ] - [ 0.0005325000000000, -0.0003652200000000, -0.0006414500000000 ] - [ 0.0003368400000000, 0.0008936600000000, -0.0002832300000000 ] - [ 0.0005988900000000, 0.0005816000000000, -0.0006257100000000 ] - [ 0.0004763400000000, 0.0005944100000000, -0.0009917900000000 ] - [ 0.0005486800000000, 0.0005393100000000, -0.0007682500000000 ] - [ 0.0001047700000000, 0.0000264400000000, 0.0001278300000000 ] - [ -0.0018937200000000, 0.0008307800000000, -0.0003518500000000 ] - [ -0.0004727700000000, -0.0003074300000000, 0.0009935900000000 ] - [ -0.0005382200000000, -0.0003215300000000, 0.0009309600000000 ] - [ -0.0005246700000000, -0.0003276300000000, 0.0005579400000000 ] - [ -0.0002625600000000, -0.0003241900000000, -0.0006054500000000 ] - [ -0.0005165200000000, 0.0002375900000000, 0.0008910300000000 ] - [ -0.0004925900000000, 0.0002287000000000, 0.0010384600000000 ] - [ -0.0002202600000000, 0.0000305900000000, -0.0021569300000000 ] - [ 0.0006513400000000, -0.0002536000000000, -0.0007100100000000 ] - [ -0.0001376500000000, -0.0002208900000000, 0.0010458800000000 ] - [ 0.0005296100000000, -0.0002930100000000, 0.0006024900000000 ] - [ -0.0010442500000000, -0.0033973000000000, -0.0009703400000000 ] - [ -0.0251635400000000, -0.0279278800000000, -0.0102438300000000 ] - [ -0.0001873500000000, 0.0001696900000000, 0.0002643100000000 ] - [ -0.0002309600000000, 0.0001767000000000, 0.0002311900000000 ] - [ 0.0013168500000000, -0.0001376500000000, 0.0016455900000000 ] - [ -0.0015562800000000, -0.0001926900000000, 0.0021806500000000 ] - [ -0.0000304200000000, -0.0003121200000000, -0.0003382600000000 ] - [ -0.0003236800000000, -0.0003878800000000, -0.0003732100000000 ] - [ 0.0002735100000000, 0.0062103900000000, -0.0006879700000000 ] - [ 0.0004861200000000, 0.0019708300000000, -0.0004751000000000 ] - [ 0.0001675300000000, 0.0004510900000000, 0.0003697800000000 ] - [ 0.0002634300000000, 0.0004186000000000, 0.0003044900000000 ] - [ 0.0553386000000000, 0.0677638700000000, 0.0320946000000000 ] - [ -0.0009691400000000, 0.0012399000000000, -0.0001390500000000 ] - [ -0.0006822600000000, 0.0005555400000000, -0.0002881600000000 ] - [ -0.0007263700000000, 0.0005371000000000, -0.0002952900000000 ] - [ 0.0051787700000000, -0.0003994800000000, -0.0026325100000000 ] - [ -0.0019667100000000, 0.0009484100000000, -0.0008126900000000 ] - [ -0.0000245800000000, 0.0001168600000000, 0.0000189800000000 ] - [ -0.0000380200000000, 0.0000904900000000, 0.0000425800000000 ] - [ -0.0006545500000000, -0.0018258200000000, 0.0005040400000000 ] - [ 0.0004946900000000, -0.0007602800000000, 0.0000140200000000 ] - [ 0.0000197200000000, -0.0000047300000000, -0.0002334600000000 ] - [ 0.0000153400000000, -0.0000036000000000, -0.0002199400000000 ] - [ -0.0001862100000000, -0.0004987600000000, 0.0000339300000000 ] - [ 0.0003212100000000, -0.0007309300000000, -0.0000569800000000 ] - [ 0.0001112100000000, -0.0001967800000000, 0.0002636100000000 ] - [ 0.0002096700000000, -0.0002678900000000, 0.0002811800000000 ] - [ 0.0010239100000000, -0.0008799600000000, 0.0019219000000000 ] - [ -0.0004234500000000, -0.0000736400000000, 0.0008575100000000 ] - [ 0.0000507300000000, 0.0001232900000000, 0.0000443300000000 ] - [ -0.0000242300000000, 0.0001431600000000, 0.0000241200000000 ] - [ -0.0000708200000000, 0.0001719400000000, -0.0007873600000000 ] - [ 0.0001538500000000, 0.0001934500000000, -0.0004782500000000 ] - [ -0.0001332200000000, 0.0001630800000000, 0.0002590800000000 ] - [ 0.0001631000000000, 0.0002168400000000, 0.0002784000000000 ] - [ -0.0018514800000000, 0.0001457300000000, -0.0005610100000000 ] - [ 0.0016676500000000, -0.0013012500000000, -0.0028274500000000 ] - [ -0.0005673200000000, 0.0002676800000000, -0.0002425000000000 ] - [ -0.0005095500000000, 0.0002713900000000, -0.0002352700000000 ] - [ 0.0006438700000000, -0.0015295800000000, 0.0004314300000000 ] - [ -0.0006302700000000, -0.0007880900000000, 0.0005123500000000 ] - [ 0.0001249800000000, 0.0002661600000000, 0.0002826200000000 ] - [ 0.0001034800000000, 0.0002762300000000, 0.0002963100000000 ] - [ 0.0009332800000000, -0.0019196800000000, 0.0001587700000000 ] - [ 0.0003784300000000, -0.0007018100000000, 0.0004019500000000 ] - [ 0.0005974700000000, -0.0003246000000000, 0.0000882300000000 ] - [ 0.0005602400000000, -0.0003133200000000, 0.0000935700000000 ] - [ 0.0004723400000000, 0.0018167100000000, 0.0004329800000000 ] - [ -0.0062093000000000, 0.0035842000000000, 0.0026095800000000 ] - [ 0.0000157100000000, -0.0001039200000000, -0.0003623600000000 ] - [ 0.0000111500000000, -0.0001039400000000, -0.0003820600000000 ] - [ 0.0000531600000000, 0.0006992400000000, 0.0006206100000000 ] - [ -0.0003797700000000, 0.0002186200000000, -0.0001051100000000 ] - [ -0.0000959300000000, 0.0001219400000000, -0.0004661400000000 ] - [ -0.0002678600000000, 0.0000702300000000, -0.0003464600000000 ] - [ 0.0003216800000000, -0.0010271200000000, 0.0006477500000000 ] - [ 0.0000793900000000, -0.0006192700000000, 0.0005496000000000 ] - [ 0.0002536600000000, -0.0006181600000000, 0.0002290500000000 ] - [ -0.0000205200000000, -0.0005227400000000, 0.0000657500000000 ] - [ 0.0005884700000000, -0.0007091500000000, 0.0003074900000000 ] - [ 0.0006572600000000, -0.0009993600000000, 0.0009321300000000 ] - [ 0.0006232000000000, -0.0005790600000000, 0.0000474500000000 ] - [ 0.0006384900000000, -0.0006270800000000, -0.0001008400000000 ] - [ 0.0005922300000000, 0.0000133000000000, 0.0003971500000000 ] - [ 0.0015211800000000, -0.0017324500000000, 0.0004672100000000 ] - [ 0.0006702700000000, 0.0004657400000000, 0.0001162300000000 ] - [ 0.0007249200000000, 0.0004438300000000, 0.0001307100000000 ] - [ 0.0006395100000000, 0.0002221400000000, 0.0004237900000000 ] - [ 0.0005049800000000, 0.0002490500000000, 0.0002642800000000 ] - [ 0.0009461000000000, 0.0000810800000000, -0.0007431200000000 ] - [ 0.0003883600000000, 0.0002411100000000, -0.0000150600000000 ] - [ -0.0028598300000000, 0.0017603700000000, 0.0010097400000000 ] - [ 0.0052426400000000, 0.0014102800000000, 0.0017836500000000 ] - [ -0.0001372500000000, 0.0003902000000000, -0.0005334200000000 ] - [ -0.0001280600000000, 0.0003794700000000, -0.0004970900000000 ] - [ 0.0004874100000000, 0.0001147800000000, 0.0005103200000000 ] - [ -0.0124054400000000, -0.0237678400000000, -0.0069556400000000 ] - [ 0.0001587100000000, 0.0000896100000000, 0.0001633200000000 ] - [ 0.0001760600000000, 0.0000891600000000, 0.0001720900000000 ] - [ -0.0006471800000000, -0.0065043400000000, 0.0019388300000000 ] - [ -0.0002929400000000, -0.0002469600000000, -0.0000665600000000 ] - [ -0.0001819800000000, 0.0000323900000000, -0.0003814800000000 ] - [ -0.0002251700000000, 0.0000371300000000, -0.0003630900000000 ] - [ -0.0006044800000000, -0.0003120700000000, -0.0009444300000000 ] - [ -0.0009939200000000, -0.0003941300000000, -0.0005151500000000 ] - [ -0.0006456700000000, -0.0003134100000000, 0.0000146400000000 ] - [ -0.0008204700000000, -0.0003947900000000, -0.0001895400000000 ] - [ -0.0009051700000000, -0.0019866200000000, -0.0020787000000000 ] - [ 0.0003965900000000, -0.0004158700000000, -0.0000488200000000 ] - [ -0.0000292600000000, -0.0000955200000000, 0.0001677800000000 ] - [ -0.0000090200000000, -0.0000952700000000, 0.0001322800000000 ] - [ -0.0007421000000000, 0.0004336000000000, -0.0014860300000000 ] - [ 0.0002637300000000, 0.0004727000000000, -0.0004636100000000 ] - [ -0.0001125600000000, -0.0001664300000000, -0.0003619600000000 ] - [ -0.0001215200000000, -0.0000750200000000, -0.0004538500000000 ] - [ -0.0004219000000000, 0.0004604800000000, -0.0001083500000000 ] - [ -0.0024281100000000, 0.0036577000000000, -0.0049410300000000 ] - [ -0.0005705200000000, -0.0001632800000000, -0.0003277000000000 ] - [ -0.0004959100000000, -0.0001480400000000, -0.0002765300000000 ] - [ -0.0002657900000000, -0.0011488500000000, 0.0007699500000000 ] - [ -0.0001718700000000, -0.0006713800000000, 0.0003685800000000 ] - [ 0.0000098000000000, -0.0002983400000000, 0.0000352100000000 ] - [ -0.0000215500000000, -0.0002485000000000, 0.0001226400000000 ] - [ 0.0002361300000000, 0.0002067600000000, 0.0002010200000000 ] - [ -0.0000970000000000, 0.0000494200000000, 0.0001577500000000 ] - [ 0.0001512500000000, 0.0001135200000000, -0.0003537800000000 ] - [ -0.0002389500000000, 0.0000622900000000, -0.0005208200000000 ]- atom: 49 displacement: [ -0.0002094772357658, 0.0000000000000000, 0.0099978057236424 ] forces: - [ -0.0008502200000000, -0.0009830100000000, 0.0010316300000000 ] - [ 0.0000297000000000, -0.0009220700000000, 0.0014518100000000 ] - [ -0.0003311100000000, -0.0007282500000000, -0.0008742400000000 ] - [ -0.0004444900000000, -0.0007452100000000, -0.0009866300000000 ] - [ 0.0001694600000000, -0.0003199200000000, 0.0005557800000000 ] - [ -0.0012529900000000, -0.0014369000000000, 0.0001247600000000 ] - [ -0.0005788800000000, 0.0008107700000000, -0.0009406700000000 ] - [ -0.0001674900000000, 0.0008090200000000, -0.0008975500000000 ] - [ -0.0000006400000000, -0.0005797900000000, -0.0019348000000000 ] - [ 0.0004944600000000, -0.0004823000000000, -0.0009997400000000 ] - [ 0.0050558700000000, 0.0006744300000000, -0.0043235700000000 ] - [ -0.0021454500000000, -0.0000680000000000, -0.0006431200000000 ] - [ 0.0090961900000000, 0.0117142300000000, 0.0113994600000000 ] - [ 0.0008598000000000, 0.0001689500000000, 0.0023374700000000 ] - [ 0.0004397800000000, 0.0006529800000000, -0.0012475200000000 ] - [ 0.0001995700000000, 0.0006249200000000, -0.0011408100000000 ] - [ 0.0009143100000000, 0.0003264000000000, 0.0032134600000000 ] - [ 0.0004326200000000, -0.0001912600000000, 0.0003727400000000 ] - [ 0.0005225600000000, -0.0003310400000000, -0.0012854000000000 ] - [ 0.0004782600000000, -0.0003301900000000, -0.0012183400000000 ] - [ 0.0005756000000000, 0.0000541700000000, -0.0012221400000000 ] - [ 0.0004827800000000, 0.0002244100000000, -0.0009677000000000 ] - [ 0.0006543700000000, 0.0005010100000000, -0.0007983600000000 ] - [ 0.0004007800000000, 0.0004381200000000, -0.0007997000000000 ] - [ -0.0005615500000000, -0.0000818300000000, 0.0015054000000000 ] - [ -0.0007465700000000, 0.0008957800000000, 0.0013970000000000 ] - [ -0.0005696800000000, -0.0004032500000000, 0.0002664700000000 ] - [ -0.0004808300000000, -0.0003963200000000, 0.0002693400000000 ] - [ -0.0011303600000000, 0.0007010100000000, 0.0005577600000000 ] - [ 0.0010675700000000, 0.0012390100000000, -0.0005863100000000 ] - [ -0.0004337500000000, 0.0003152800000000, 0.0002937100000000 ] - [ -0.0006825000000000, 0.0002559700000000, -0.0001651000000000 ] - [ -0.0003054900000000, 0.0020236000000000, -0.0011345400000000 ] - [ 0.0002989500000000, 0.0001026900000000, -0.0000482700000000 ] - [ 0.0007149700000000, -0.0011869400000000, -0.0014119300000000 ] - [ -0.0003802500000000, -0.0008280900000000, -0.0008110600000000 ] - [ 0.0006430200000000, 0.0010428200000000, 0.0044696600000000 ] - [ 0.0244288500000000, 0.0099997300000000, 0.0293724900000000 ] - [ -0.0003331400000000, 0.0002862100000000, -0.0013099700000000 ] - [ -0.0001445800000000, 0.0002799500000000, -0.0014718500000000 ] - [ -0.0015034000000000, -0.0008713700000000, -0.0010889000000000 ] - [ 0.0010068500000000, -0.0013163200000000, -0.0017810900000000 ] - [ -0.0000940700000000, 0.0001954000000000, -0.0006502400000000 ] - [ -0.0005684800000000, 0.0006600400000000, -0.0014192900000000 ] - [ 0.0013600600000000, 0.0001508800000000, 0.0023955300000000 ] - [ -0.0000907700000000, 0.0001364600000000, 0.0014790800000000 ] - [ 0.0002162600000000, 0.0003113900000000, -0.0011723200000000 ] - [ 0.0001321000000000, 0.0003266600000000, -0.0010215200000000 ] - [ -0.0438371000000000, -0.0306851600000000, -0.0543492500000000 ] - [ -0.0005783900000000, 0.0004494200000000, -0.0012826000000000 ] - [ -0.0006083700000000, 0.0006049900000000, 0.0002922300000000 ] - [ -0.0005703000000000, 0.0006112600000000, 0.0002191300000000 ] - [ -0.0046474100000000, 0.0024209000000000, 0.0001308800000000 ] - [ 0.0016570000000000, 0.0008213800000000, -0.0012059100000000 ] - [ 0.0000675500000000, -0.0000205700000000, 0.0006438800000000 ] - [ -0.0000201500000000, 0.0000050500000000, 0.0005669600000000 ] - [ 0.0000008300000000, 0.0010211700000000, -0.0016779600000000 ] - [ 0.0000106100000000, -0.0000641400000000, -0.0009634700000000 ] - [ 0.0000622000000000, 0.0000318800000000, 0.0003254600000000 ] - [ 0.0000701500000000, 0.0000348000000000, 0.0003157500000000 ] - [ 0.0004579900000000, 0.0001815700000000, 0.0003902400000000 ] - [ 0.0000217600000000, 0.0003530900000000, 0.0004822400000000 ] - [ 0.0001981100000000, -0.0001652900000000, 0.0003866700000000 ] - [ 0.0002218200000000, -0.0002855800000000, 0.0005021900000000 ] - [ 0.0005388800000000, -0.0010062000000000, 0.0000449900000000 ] - [ -0.0001399900000000, -0.0002204700000000, -0.0001244700000000 ] - [ -0.0001487700000000, 0.0002909100000000, 0.0008108500000000 ] - [ 0.0000155800000000, 0.0002461100000000, 0.0007841700000000 ] - [ 0.0001258400000000, 0.0002759700000000, 0.0003965900000000 ] - [ -0.0001863000000000, 0.0002648400000000, 0.0002902200000000 ] - [ -0.0002875200000000, -0.0002422400000000, -0.0002964100000000 ] - [ 0.0002282800000000, -0.0004338700000000, 0.0001051200000000 ] - [ 0.0004769800000000, 0.0004452300000000, -0.0003052700000000 ] - [ -0.0022822600000000, 0.0023223800000000, 0.0009401300000000 ] - [ -0.0006449800000000, 0.0002107000000000, 0.0002226700000000 ] - [ -0.0006204600000000, 0.0001833800000000, 0.0003931500000000 ] - [ -0.0000134700000000, 0.0007612900000000, -0.0004687200000000 ] - [ 0.0003888200000000, 0.0006618000000000, -0.0002751900000000 ] - [ 0.0001161400000000, 0.0003025400000000, 0.0008432900000000 ] - [ 0.0001226000000000, 0.0002998000000000, 0.0008108900000000 ] - [ 0.0004171200000000, 0.0000627800000000, -0.0008163800000000 ] - [ 0.0008110600000000, -0.0002142300000000, -0.0004709900000000 ] - [ 0.0004653900000000, -0.0002359300000000, 0.0006838900000000 ] - [ 0.0005195200000000, -0.0002443700000000, 0.0006300300000000 ] - [ 0.0028653000000000, -0.0010668900000000, -0.0019178200000000 ] - [ -0.0103602900000000, -0.0023057600000000, -0.0010642300000000 ] - [ -0.0000586500000000, -0.0001417100000000, 0.0003535900000000 ] - [ -0.0000239000000000, -0.0001410400000000, 0.0004164500000000 ] - [ 0.0001463600000000, -0.0015312700000000, 0.0022148900000000 ] - [ -0.0001008200000000, -0.0002247800000000, -0.0001456200000000 ] - [ -0.0003666200000000, 0.0002740200000000, 0.0006118700000000 ] - [ 0.0000157700000000, 0.0000153300000000, 0.0001086100000000 ] - [ 0.0002377400000000, -0.0004255500000000, 0.0005934100000000 ] - [ 0.0001094200000000, -0.0003576400000000, 0.0004187300000000 ] - [ -0.0000687400000000, -0.0000606500000000, 0.0006509500000000 ] - [ 0.0002177300000000, -0.0001330500000000, 0.0006296700000000 ] - [ 0.0008368200000000, -0.0006250500000000, 0.0001579300000000 ] - [ 0.0002962800000000, -0.0012495200000000, 0.0000547100000000 ] - [ 0.0007724500000000, -0.0003646200000000, 0.0004772900000000 ] - [ 0.0008230200000000, -0.0002163600000000, 0.0006826300000000 ] - [ 0.0006788400000000, 0.0007164200000000, -0.0002769200000000 ] - [ 0.0004400600000000, 0.0007710400000000, -0.0003250700000000 ] - [ 0.0008196800000000, 0.0004320500000000, 0.0005649900000000 ] - [ 0.0007498200000000, 0.0004456400000000, 0.0005868300000000 ] - [ 0.0004433200000000, -0.0001193300000000, 0.0008469500000000 ] - [ 0.0005135300000000, 0.0001774800000000, 0.0004680300000000 ] - [ 0.0001830800000000, 0.0010521600000000, 0.0007354900000000 ] - [ 0.0007839500000000, 0.0004597800000000, 0.0001953900000000 ] - [ -0.0015214100000000, -0.0005710100000000, -0.0024310300000000 ] - [ 0.0049170100000000, -0.0019461400000000, -0.0021470300000000 ] - [ -0.0000899300000000, 0.0003525400000000, 0.0001684400000000 ] - [ -0.0001646100000000, 0.0003593800000000, 0.0001236000000000 ] - [ -0.0001010100000000, 0.0000648100000000, -0.0007189800000000 ] - [ 0.0025080500000000, 0.0060167700000000, -0.0038812400000000 ] - [ 0.0002633200000000, 0.0000666200000000, 0.0006329800000000 ] - [ 0.0002149600000000, 0.0000635000000000, 0.0006812200000000 ] - [ -0.0010982700000000, -0.0021119600000000, -0.0018812800000000 ] - [ -0.0000522100000000, -0.0000611000000000, -0.0008375300000000 ] - [ -0.0001357200000000, 0.0000719200000000, 0.0001996000000000 ] - [ -0.0000974300000000, 0.0000591800000000, 0.0001394200000000 ] - [ -0.0007752300000000, -0.0003021900000000, 0.0005289100000000 ] - [ -0.0004854100000000, -0.0005038700000000, 0.0000619500000000 ] - [ -0.0005572300000000, -0.0012619100000000, 0.0005317000000000 ] - [ -0.0004658200000000, -0.0008258700000000, 0.0000630200000000 ] - [ 0.0005971500000000, 0.0011928100000000, 0.0014608900000000 ] - [ -0.0004936500000000, 0.0002884500000000, 0.0000721500000000 ] - [ -0.0000809900000000, -0.0001352100000000, 0.0004316700000000 ] - [ 0.0001083600000000, -0.0001761700000000, 0.0005068300000000 ] - [ 0.0006013000000000, -0.0002276300000000, 0.0004445500000000 ] - [ -0.0007558600000000, -0.0001422000000000, 0.0000823300000000 ] - [ -0.0004530900000000, -0.0006263500000000, 0.0002361300000000 ] - [ 0.0001080600000000, -0.0006425300000000, 0.0003323200000000 ] - [ -0.0007761700000000, -0.0003391700000000, -0.0007457400000000 ] - [ 0.0101902100000000, 0.0041018600000000, 0.0186180400000000 ] - [ -0.0005431200000000, -0.0003201900000000, 0.0002993100000000 ] - [ -0.0007721000000000, -0.0003321700000000, 0.0004787900000000 ] - [ -0.0001550500000000, -0.0001441400000000, -0.0002631900000000 ] - [ 0.0002218800000000, -0.0001002000000000, -0.0001798700000000 ] - [ -0.0000457800000000, -0.0001206600000000, 0.0007665700000000 ] - [ -0.0000595000000000, -0.0001353000000000, 0.0006503000000000 ] - [ 0.0004763600000000, -0.0003634400000000, 0.0003998300000000 ] - [ -0.0002220000000000, -0.0002837000000000, 0.0001758900000000 ] - [ -0.0002856600000000, 0.0003414800000000, 0.0002527000000000 ] - [ 0.0007396700000000, 0.0005476700000000, 0.0005921800000000 ]- atom: 49 displacement: [ 0.0002094772357658, 0.0000000000000000, -0.0099978057236424 ] forces: - [ 0.0001344000000000, -0.0002510500000000, -0.0010184700000000 ] - [ -0.0007411600000000, -0.0003139600000000, -0.0014320200000000 ] - [ -0.0003828700000000, -0.0005008400000000, 0.0008818300000000 ] - [ -0.0002682100000000, -0.0004835300000000, 0.0009944000000000 ] - [ -0.0008830800000000, 0.0015486500000000, -0.0005513900000000 ] - [ 0.0005357700000000, 0.0026676800000000, -0.0001380800000000 ] - [ -0.0001361500000000, 0.0004189000000000, 0.0009498400000000 ] - [ -0.0005441000000000, 0.0004202200000000, 0.0009083400000000 ] - [ 0.0007112100000000, -0.0006495300000000, 0.0019178500000000 ] - [ 0.0002181900000000, -0.0007455800000000, 0.0009928200000000 ] - [ -0.0043642000000000, -0.0019054000000000, 0.0043196800000000 ] - [ 0.0028661100000000, -0.0011649700000000, 0.0006209600000000 ] - [ -0.0081464200000000, -0.0101941700000000, -0.0113426600000000 ] - [ -0.0001613000000000, 0.0010753200000000, -0.0023319900000000 ] - [ 0.0002728500000000, 0.0005748500000000, 0.0012384200000000 ] - [ 0.0005135800000000, 0.0006032000000000, 0.0011312800000000 ] - [ 0.0001379700000000, -0.0010524100000000, -0.0047164200000000 ] - [ 0.0005822400000000, -0.0005067200000000, -0.0018870300000000 ] - [ 0.0005005000000000, -0.0003635200000000, -0.0002286600000000 ] - [ 0.0005442400000000, -0.0003644000000000, -0.0002959900000000 ] - [ 0.0004481100000000, 0.0006384500000000, -0.0002925100000000 ] - [ 0.0005397100000000, 0.0004694100000000, -0.0005462600000000 ] - [ 0.0003689300000000, 0.0001923200000000, -0.0007177300000000 ] - [ 0.0006215800000000, 0.0002558400000000, -0.0007171000000000 ] - [ -0.0004642300000000, -0.0006120500000000, 0.0000099900000000 ] - [ -0.0002754800000000, -0.0015837200000000, 0.0001114300000000 ] - [ -0.0004543800000000, -0.0002916400000000, 0.0012477800000000 ] - [ -0.0005426300000000, -0.0002982900000000, 0.0012452500000000 ] - [ 0.0001020700000000, -0.0000040700000000, 0.0009583000000000 ] - [ -0.0020714400000000, -0.0005398100000000, 0.0021109400000000 ] - [ -0.0005902200000000, 0.0003800600000000, 0.0012198800000000 ] - [ -0.0003394100000000, 0.0004396100000000, 0.0016817800000000 ] - [ 0.0007320500000000, -0.0026064300000000, 0.0011886000000000 ] - [ 0.0001252900000000, -0.0007056400000000, 0.0001088100000000 ] - [ -0.0002876300000000, 0.0005903900000000, 0.0014608200000000 ] - [ 0.0008103300000000, 0.0002287500000000, 0.0008586900000000 ] - [ -0.0010699200000000, -0.0004400000000000, -0.0045189100000000 ] - [ -0.0254291800000000, -0.0096083300000000, -0.0293127100000000 ] - [ -0.0000969800000000, 0.0003158000000000, 0.0012583300000000 ] - [ -0.0002833500000000, 0.0003219100000000, 0.0014205000000000 ] - [ 0.0010663000000000, 0.0002662000000000, 0.0010350200000000 ] - [ -0.0014255700000000, 0.0007116500000000, 0.0017287400000000 ] - [ -0.0003372400000000, -0.0007993500000000, 0.0005977400000000 ] - [ 0.0001429700000000, -0.0012670900000000, 0.0013662700000000 ] - [ -0.0009195900000000, 0.0004463300000000, -0.0023382700000000 ] - [ 0.0005129400000000, 0.0004641300000000, -0.0014286200000000 ] - [ 0.0002124800000000, 0.0002899800000000, 0.0012222400000000 ] - [ 0.0002957300000000, 0.0002748300000000, 0.0010722600000000 ] - [ 0.0429716000000000, 0.0317029400000000, 0.0540521000000000 ] - [ -0.0008020600000000, 0.0005885400000000, 0.0008775700000000 ] - [ -0.0007795900000000, 0.0004325200000000, -0.0006964600000000 ] - [ -0.0008171500000000, 0.0004263100000000, -0.0006243600000000 ] - [ 0.0046226200000000, -0.0023750300000000, 0.0001050800000000 ] - [ -0.0017020200000000, -0.0007501400000000, 0.0014489100000000 ] - [ -0.0001192100000000, 0.0000916900000000, -0.0004172000000000 ] - [ -0.0000323600000000, 0.0000662400000000, -0.0003413300000000 ] - [ 0.0000505900000000, -0.0009393500000000, 0.0014424100000000 ] - [ 0.0000420400000000, 0.0001331700000000, 0.0007361800000000 ] - [ -0.0000109200000000, 0.0000399800000000, -0.0005505900000000 ] - [ -0.0000188900000000, 0.0000370200000000, -0.0005411000000000 ] - [ -0.0000947000000000, -0.0003083700000000, 0.0000958900000000 ] - [ 0.0003382300000000, -0.0004790900000000, 0.0000034400000000 ] - [ 0.0001642200000000, 0.0000375900000000, 0.0001005200000000 ] - [ 0.0001394100000000, 0.0001584000000000, -0.0000145200000000 ] - [ -0.0005532900000000, 0.0013101100000000, 0.0004210200000000 ] - [ 0.0001288100000000, 0.0005338800000000, 0.0005914500000000 ] - [ 0.0001337200000000, 0.0000173300000000, -0.0003371100000000 ] - [ -0.0000311000000000, 0.0000623700000000, -0.0003102800000000 ] - [ -0.0001100400000000, 0.0000338500000000, -0.0008681500000000 ] - [ 0.0001999600000000, 0.0000441900000000, -0.0007635200000000 ] - [ 0.0003036800000000, 0.0005529900000000, -0.0001757000000000 ] - [ -0.0002155900000000, 0.0007441400000000, -0.0005724500000000 ] - [ -0.0015849800000000, 0.0000854000000000, -0.0001003200000000 ] - [ 0.0011489900000000, -0.0017735800000000, -0.0013416600000000 ] - [ -0.0004717000000000, 0.0003204000000000, -0.0006268200000000 ] - [ -0.0004971700000000, 0.0003480400000000, -0.0007973200000000 ] - [ 0.0002616200000000, -0.0001071900000000, 0.0012354000000000 ] - [ -0.0001319600000000, -0.0000089200000000, 0.0010430100000000 ] - [ 0.0001361300000000, 0.0003458300000000, -0.0000755200000000 ] - [ 0.0001299600000000, 0.0003486500000000, -0.0000434000000000 ] - [ 0.0006962300000000, -0.0005898500000000, 0.0012177200000000 ] - [ 0.0003084800000000, -0.0003161400000000, 0.0008734900000000 ] - [ 0.0006509200000000, -0.0002947000000000, -0.0002787000000000 ] - [ 0.0005971100000000, -0.0002863100000000, -0.0002247600000000 ] - [ -0.0028393500000000, 0.0007517200000000, 0.0014325100000000 ] - [ 0.0103633800000000, 0.0019903500000000, 0.0005236200000000 ] - [ 0.0000737000000000, -0.0001675700000000, -0.0008258400000000 ] - [ 0.0000381200000000, -0.0001679900000000, -0.0008900100000000 ] - [ -0.0005087000000000, 0.0013854900000000, -0.0026726200000000 ] - [ -0.0002595000000000, 0.0000967400000000, -0.0003426000000000 ] - [ 0.0000055400000000, -0.0004045000000000, -0.0011002000000000 ] - [ -0.0003780700000000, -0.0001430800000000, -0.0005933800000000 ] - [ 0.0000141700000000, -0.0002231100000000, 0.0001729800000000 ] - [ 0.0001430000000000, -0.0002903700000000, 0.0003460500000000 ] - [ 0.0003208700000000, -0.0005888600000000, 0.0001180400000000 ] - [ 0.0000349800000000, -0.0005161700000000, 0.0001402800000000 ] - [ 0.0005527200000000, -0.0004118200000000, 0.0002464500000000 ] - [ 0.0010861200000000, 0.0002084900000000, 0.0003455700000000 ] - [ 0.0006151700000000, -0.0006730400000000, -0.0000705200000000 ] - [ 0.0005640000000000, -0.0008221800000000, -0.0002761900000000 ] - [ 0.0007102600000000, 0.0003214200000000, 0.0006832400000000 ] - [ 0.0009454600000000, 0.0002703300000000, 0.0007325700000000 ] - [ 0.0005679000000000, 0.0006055300000000, -0.0001588200000000 ] - [ 0.0006370500000000, 0.0005921000000000, -0.0001808400000000 ] - [ 0.0006722800000000, 0.0006465100000000, -0.0004401900000000 ] - [ 0.0006039500000000, 0.0003530600000000, -0.0000645700000000 ] - [ 0.0009331100000000, -0.0005260400000000, -0.0003264200000000 ] - [ 0.0003328600000000, 0.0000700600000000, 0.0002125500000000 ] - [ 0.0012665900000000, 0.0012149200000000, 0.0016674700000000 ] - [ -0.0051411800000000, 0.0025824800000000, 0.0014202600000000 ] - [ -0.0001623100000000, 0.0002962800000000, -0.0009347900000000 ] - [ -0.0000885900000000, 0.0002900100000000, -0.0008911700000000 ] - [ 0.0004650500000000, 0.0000625900000000, 0.0012053700000000 ] - [ -0.0021038700000000, -0.0057841200000000, 0.0044377800000000 ] - [ 0.0000986500000000, 0.0000608500000000, -0.0001465500000000 ] - [ 0.0001463300000000, 0.0000639000000000, -0.0001948400000000 ] - [ 0.0007277100000000, 0.0022339900000000, 0.0014003500000000 ] - [ -0.0003067800000000, 0.0001873800000000, 0.0003519200000000 ] - [ -0.0002268100000000, 0.0000564900000000, -0.0006851600000000 ] - [ -0.0002645500000000, 0.0000688800000000, -0.0006252300000000 ] - [ -0.0006152800000000, -0.0007329500000000, -0.0009323600000000 ] - [ -0.0009003900000000, -0.0005338900000000, -0.0004674900000000 ] - [ -0.0008323100000000, 0.0002282600000000, -0.0009388800000000 ] - [ -0.0009209100000000, -0.0002116900000000, -0.0004674400000000 ] - [ -0.0006471600000000, -0.0012606700000000, -0.0012293400000000 ] - [ 0.0004395800000000, -0.0003597800000000, 0.0001515900000000 ] - [ 0.0000294400000000, 0.0000641300000000, -0.0002053600000000 ] - [ -0.0001601900000000, 0.0001050300000000, -0.0002798600000000 ] - [ -0.0008493900000000, -0.0004197400000000, -0.0012088600000000 ] - [ 0.0004983000000000, -0.0005093900000000, -0.0008540300000000 ] - [ 0.0002023500000000, -0.0000207800000000, -0.0010048400000000 ] - [ -0.0003628800000000, -0.0000039400000000, -0.0010999500000000 ] - [ -0.0003402400000000, -0.0001921800000000, 0.0003441500000000 ] - [ -0.0115655900000000, -0.0047372800000000, -0.0194227700000000 ] - [ -0.0005729700000000, -0.0002102800000000, -0.0007042200000000 ] - [ -0.0003466100000000, -0.0001983700000000, -0.0008822200000000 ] - [ 0.0001373700000000, -0.0001643900000000, 0.0007379500000000 ] - [ -0.0002361200000000, -0.0002082200000000, 0.0006556600000000 ] - [ 0.0000302500000000, -0.0001881100000000, -0.0002929600000000 ] - [ 0.0000443700000000, -0.0001737000000000, -0.0001776000000000 ] - [ -0.0004214900000000, 0.0002895400000000, -0.0006247000000000 ] - [ 0.0002724500000000, 0.0002119400000000, -0.0004046300000000 ] - [ 0.0003384200000000, -0.0004154700000000, -0.0004773200000000 ] - [ -0.0006926500000000, -0.0006236900000000, -0.0008184700000000 ]- atom: 53 displacement: [ 0.0099999598693730, 0.0000000000000000, -0.0000283303887883 ] forces: - [ 0.0010551600000000, -0.0001577900000000, -0.0002367000000000 ] - [ -0.0013196100000000, -0.0008474900000000, 0.0002301000000000 ] - [ -0.0000574900000000, -0.0006117600000000, 0.0000656300000000 ] - [ -0.0006861900000000, -0.0007331700000000, -0.0002194100000000 ] - [ 0.0076224500000000, -0.0020340200000000, -0.0008727500000000 ] - [ -0.0033817400000000, -0.0003754300000000, -0.0004791500000000 ] - [ -0.0001907000000000, 0.0006460400000000, -0.0001304400000000 ] - [ -0.0005193400000000, 0.0006227000000000, -0.0000832300000000 ] - [ 0.0005638300000000, -0.0005492100000000, -0.0000711000000000 ] - [ 0.0001669900000000, -0.0006583200000000, -0.0002232400000000 ] - [ 0.0054939500000000, -0.0006568200000000, 0.0010617800000000 ] - [ -0.0038258800000000, -0.0013396400000000, 0.0010475400000000 ] - [ 0.0028779500000000, 0.0014269400000000, 0.0007806000000000 ] - [ -0.0011643100000000, 0.0000407500000000, -0.0005821800000000 ] - [ 0.0005492400000000, 0.0007110200000000, -0.0003008700000000 ] - [ 0.0001614300000000, 0.0005660100000000, 0.0000552200000000 ] - [ 0.0070718800000000, 0.0015832000000000, -0.0025298400000000 ] - [ -0.0026792100000000, -0.0003220700000000, -0.0014044400000000 ] - [ 0.0005516400000000, -0.0003489900000000, -0.0008766500000000 ] - [ 0.0004716900000000, -0.0003419100000000, -0.0007541600000000 ] - [ 0.0005667300000000, 0.0003105800000000, -0.0007453700000000 ] - [ 0.0004515500000000, 0.0003599400000000, -0.0008388300000000 ] - [ 0.0007729200000000, 0.0003351500000000, -0.0008159200000000 ] - [ 0.0002876400000000, 0.0003258100000000, -0.0006186100000000 ] - [ -0.0002129400000000, -0.0010847900000000, 0.0009828100000000 ] - [ -0.0009431300000000, -0.0001461900000000, 0.0007874600000000 ] - [ -0.0004852800000000, -0.0003542100000000, 0.0007012300000000 ] - [ -0.0005411100000000, -0.0003489800000000, 0.0007152200000000 ] - [ -0.0002946600000000, 0.0005279200000000, -0.0002195500000000 ] - [ -0.0008635500000000, 0.0003113400000000, 0.0011391000000000 ] - [ -0.0000626600000000, 0.0003388400000000, 0.0010354200000000 ] - [ -0.0009562700000000, 0.0004141100000000, 0.0005242700000000 ] - [ 0.0004842500000000, -0.0003544900000000, 0.0008585600000000 ] - [ -0.0003084800000000, -0.0001388000000000, -0.0007854800000000 ] - [ 0.0018184400000000, -0.0007644600000000, -0.0026204600000000 ] - [ -0.0008153500000000, 0.0000511800000000, 0.0010744500000000 ] - [ 0.0450484000000000, 0.0138819400000000, 0.0112993700000000 ] - [ -0.0074713900000000, 0.0017403800000000, 0.0006942100000000 ] - [ -0.0000922600000000, 0.0002918300000000, -0.0001459200000000 ] - [ -0.0003428400000000, 0.0003145600000000, -0.0001983600000000 ] - [ 0.0000230000000000, -0.0005494800000000, -0.0004153100000000 ] - [ -0.0005031200000000, -0.0002490900000000, 0.0001601700000000 ] - [ 0.0006994400000000, -0.0003268300000000, 0.0005619700000000 ] - [ -0.0011954500000000, -0.0001296700000000, -0.0003820400000000 ] - [ 0.0007772600000000, -0.0011175600000000, 0.0000806500000000 ] - [ -0.0010046800000000, 0.0007569800000000, 0.0000823500000000 ] - [ 0.0002709600000000, 0.0002961500000000, -0.0001115500000000 ] - [ 0.0001491200000000, 0.0003033700000000, -0.0000665800000000 ] - [ 0.0041448200000000, -0.0046366500000000, -0.0046975700000000 ] - [ 0.0016657700000000, 0.0024658300000000, 0.0015351900000000 ] - [ -0.0006718600000000, 0.0005170500000000, -0.0001105200000000 ] - [ -0.0006966200000000, 0.0005306100000000, -0.0001983000000000 ] - [ -0.1057075200000000, -0.0210862300000000, -0.0147908000000000 ] - [ 0.0023403500000000, 0.0001200700000000, 0.0002171700000000 ] - [ -0.0000719700000000, 0.0000291900000000, 0.0001567800000000 ] - [ 0.0000317800000000, 0.0000358500000000, 0.0001756600000000 ] - [ -0.0006088800000000, 0.0006073700000000, -0.0001200800000000 ] - [ 0.0004973500000000, -0.0000247400000000, -0.0001306300000000 ] - [ -0.0000208300000000, 0.0000283600000000, -0.0000829400000000 ] - [ 0.0000806500000000, 0.0000472400000000, -0.0000557600000000 ] - [ 0.0001242500000000, -0.0000518500000000, 0.0003299300000000 ] - [ 0.0002427700000000, -0.0000530800000000, 0.0001970000000000 ] - [ 0.0000588600000000, -0.0000977900000000, 0.0000480600000000 ] - [ 0.0003534600000000, -0.0000777800000000, 0.0003738400000000 ] - [ -0.0008530300000000, 0.0003263000000000, -0.0009755800000000 ] - [ 0.0006730500000000, 0.0000337900000000, 0.0007012500000000 ] - [ -0.0002310900000000, 0.0002466000000000, 0.0004262200000000 ] - [ 0.0001793400000000, 0.0000876300000000, 0.0001636500000000 ] - [ -0.0000523900000000, 0.0001867300000000, -0.0001236400000000 ] - [ 0.0000611000000000, 0.0001594200000000, -0.0002191900000000 ] - [ -0.0007873600000000, 0.0000269700000000, -0.0006400400000000 ] - [ 0.0005153700000000, 0.0002106300000000, -0.0002578400000000 ] - [ -0.0006945800000000, 0.0004942700000000, 0.0000933100000000 ] - [ -0.0003781700000000, 0.0000914300000000, -0.0004631100000000 ] - [ -0.0006965300000000, 0.0002339300000000, -0.0002948500000000 ] - [ -0.0004350700000000, 0.0002511000000000, -0.0000190500000000 ] - [ -0.0016060900000000, 0.0033963900000000, -0.0004295000000000 ] - [ 0.0012473700000000, 0.0000258700000000, 0.0002542000000000 ] - [ 0.0000851100000000, 0.0003300400000000, 0.0004373300000000 ] - [ 0.0001661400000000, 0.0003197100000000, 0.0004259300000000 ] - [ 0.0005834500000000, -0.0000106900000000, -0.0001120800000000 ] - [ 0.0007423500000000, -0.0004610900000000, 0.0003979100000000 ] - [ 0.0005175400000000, -0.0002453600000000, 0.0002949800000000 ] - [ 0.0005836200000000, -0.0002686900000000, 0.0001969800000000 ] - [ -0.0019338000000000, 0.0023481900000000, 0.0057202100000000 ] - [ 0.0014761500000000, -0.0003644700000000, -0.0008558400000000 ] - [ -0.0000976800000000, -0.0001394800000000, -0.0001858800000000 ] - [ 0.0001057400000000, -0.0001759000000000, -0.0001546000000000 ] - [ -0.0002970000000000, -0.0000910500000000, -0.0005702200000000 ] - [ 0.0000402600000000, -0.0000748700000000, 0.0001494300000000 ] - [ -0.0001750600000000, -0.0000329800000000, 0.0005451400000000 ] - [ 0.0000506600000000, -0.0002124800000000, -0.0007996700000000 ] - [ -0.0000333600000000, -0.0001902000000000, 0.0002686500000000 ] - [ 0.0002910500000000, -0.0004232500000000, 0.0004966900000000 ] - [ -0.0006855400000000, 0.0000781500000000, 0.0004283200000000 ] - [ 0.0005463200000000, -0.0004652300000000, 0.0003003500000000 ] - [ 0.0006432700000000, -0.0007284400000000, 0.0006501800000000 ] - [ 0.0008425200000000, -0.0003940400000000, -0.0000410700000000 ] - [ 0.0005172800000000, -0.0006453500000000, -0.0001137500000000 ] - [ 0.0010767300000000, -0.0002528400000000, 0.0009238200000000 ] - [ 0.0008157500000000, -0.0001653300000000, 0.0001813600000000 ] - [ 0.0009209700000000, 0.0009864300000000, 0.0001951100000000 ] - [ 0.0006888000000000, 0.0005130100000000, 0.0002381500000000 ] - [ 0.0007188200000000, 0.0005083000000000, 0.0002467900000000 ] - [ 0.0005201900000000, 0.0002788200000000, 0.0001232600000000 ] - [ 0.0005942500000000, 0.0002307000000000, 0.0003919800000000 ] - [ 0.0020267000000000, 0.0025352600000000, 0.0042552600000000 ] - [ 0.0014570000000000, -0.0002179900000000, -0.0008061600000000 ] - [ -0.0028857100000000, 0.0063054500000000, 0.0004187700000000 ] - [ 0.0012752800000000, -0.0002246500000000, -0.0003924800000000 ] - [ -0.0001730000000000, 0.0003340000000000, -0.0003287000000000 ] - [ -0.0000785800000000, 0.0003164400000000, -0.0003313500000000 ] - [ 0.0232821700000000, -0.0111574300000000, 0.0111644500000000 ] - [ 0.0042500200000000, 0.0008488800000000, -0.0006314500000000 ] - [ 0.0001546100000000, 0.0000671600000000, 0.0002619100000000 ] - [ 0.0002214500000000, 0.0000602200000000, 0.0003214400000000 ] - [ -0.0004815900000000, -0.0002626700000000, -0.0003641300000000 ] - [ 0.0001946200000000, 0.0004160200000000, -0.0001582000000000 ] - [ -0.0001836700000000, 0.0000569600000000, -0.0001939100000000 ] - [ -0.0001653900000000, 0.0000701700000000, -0.0002107500000000 ] - [ -0.0007360600000000, -0.0005224200000000, -0.0002595900000000 ] - [ -0.0006271800000000, -0.0005023300000000, -0.0000685200000000 ] - [ 0.0001952100000000, -0.0014007300000000, 0.0004375300000000 ] - [ -0.0007520000000000, -0.0000921700000000, -0.0006723400000000 ] - [ -0.0002459600000000, -0.0000313100000000, 0.0000478100000000 ] - [ 0.0001854700000000, 0.0000007200000000, 0.0002102400000000 ] - [ -0.0002461100000000, -0.0000624200000000, 0.0001028800000000 ] - [ 0.0001854000000000, -0.0000277400000000, 0.0001092000000000 ] - [ -0.0003334800000000, -0.0000945500000000, -0.0000673200000000 ] - [ 0.0000671600000000, -0.0003552000000000, -0.0004197700000000 ] - [ -0.0010376000000000, -0.0005024700000000, -0.0000785300000000 ] - [ 0.0003444500000000, -0.0002586400000000, -0.0004765000000000 ] - [ 0.0177257200000000, 0.0111393700000000, -0.0108559000000000 ] - [ 0.0025175600000000, -0.0012176000000000, 0.0005594700000000 ] - [ -0.0006036600000000, -0.0002691400000000, -0.0001138200000000 ] - [ -0.0005303000000000, -0.0002734200000000, -0.0001695100000000 ] - [ -0.0006348500000000, -0.0001047000000000, 0.0005241400000000 ] - [ 0.0004624400000000, -0.0000906300000000, 0.0000070300000000 ] - [ -0.0000409000000000, -0.0001472700000000, 0.0002677500000000 ] - [ 0.0000159400000000, -0.0001577200000000, 0.0003023100000000 ] - [ -0.0002458000000000, -0.0001466700000000, -0.0001383100000000 ] - [ 0.0002494400000000, -0.0000096600000000, -0.0000092800000000 ] - [ -0.0017004600000000, 0.0000734500000000, -0.0002436800000000 ] - [ 0.0008645600000000, -0.0000862500000000, -0.0000522800000000 ]- atom: 53 displacement: [ -0.0099999598693730, 0.0000000000000000, 0.0000283303887883 ] forces: - [ -0.0017606200000000, -0.0010692100000000, 0.0002501800000000 ] - [ 0.0006050500000000, -0.0003752100000000, -0.0002255400000000 ] - [ -0.0006545000000000, -0.0006179900000000, -0.0000590200000000 ] - [ -0.0000273700000000, -0.0004945400000000, 0.0002295100000000 ] - [ -0.0083014100000000, 0.0031338000000000, 0.0008163600000000 ] - [ 0.0026750400000000, 0.0016166700000000, 0.0004990000000000 ] - [ -0.0005216300000000, 0.0005824900000000, 0.0001397800000000 ] - [ -0.0001942700000000, 0.0006064000000000, 0.0000910300000000 ] - [ 0.0001477500000000, -0.0006793100000000, 0.0000632700000000 ] - [ 0.0005472700000000, -0.0005703700000000, 0.0002137900000000 ] - [ -0.0047865000000000, -0.0005666900000000, -0.0010753000000000 ] - [ 0.0045360100000000, 0.0001043900000000, -0.0010459900000000 ] - [ -0.0021881600000000, -0.0001946500000000, -0.0007831400000000 ] - [ 0.0018841300000000, 0.0011832700000000, 0.0005693800000000 ] - [ 0.0001635800000000, 0.0005179500000000, 0.0002909400000000 ] - [ 0.0005522000000000, 0.0006622800000000, -0.0000620500000000 ] - [ -0.0062168100000000, -0.0024458700000000, 0.0012780000000000 ] - [ 0.0036962200000000, -0.0003741300000000, -0.0001130300000000 ] - [ 0.0004700300000000, -0.0003452900000000, -0.0006374500000000 ] - [ 0.0005509700000000, -0.0003526200000000, -0.0007591700000000 ] - [ 0.0004557800000000, 0.0003842300000000, -0.0007690800000000 ] - [ 0.0005723600000000, 0.0003353100000000, -0.0006762200000000 ] - [ 0.0002483800000000, 0.0003602200000000, -0.0007015900000000 ] - [ 0.0007369300000000, 0.0003683300000000, -0.0008956200000000 ] - [ -0.0008030500000000, 0.0003981400000000, 0.0005267800000000 ] - [ -0.0000811000000000, -0.0005509200000000, 0.0007277300000000 ] - [ -0.0005373800000000, -0.0003404200000000, 0.0008140300000000 ] - [ -0.0004820800000000, -0.0003451700000000, 0.0007995900000000 ] - [ -0.0007233900000000, 0.0001627700000000, 0.0017438400000000 ] - [ -0.0001594800000000, 0.0003833300000000, 0.0003711700000000 ] - [ -0.0009551700000000, 0.0003586100000000, 0.0004762700000000 ] - [ -0.0000676100000000, 0.0002804200000000, 0.0009925900000000 ] - [ -0.0000617600000000, -0.0002474900000000, -0.0008055000000000 ] - [ 0.0007411600000000, -0.0004641000000000, 0.0008301900000000 ] - [ -0.0014103600000000, 0.0001566900000000, 0.0026733000000000 ] - [ 0.0012507000000000, -0.0006485100000000, -0.0010201300000000 ] - [ -0.0428700400000000, -0.0116447900000000, -0.0099728800000000 ] - [ 0.0070747400000000, -0.0011586000000000, -0.0007570900000000 ] - [ -0.0003353100000000, 0.0003100300000000, 0.0000948100000000 ] - [ -0.0000868100000000, 0.0002871400000000, 0.0001477600000000 ] - [ -0.0004495400000000, -0.0000486700000000, 0.0003674200000000 ] - [ 0.0000730700000000, -0.0003529400000000, -0.0002133500000000 ] - [ -0.0011211900000000, -0.0002775000000000, -0.0006137100000000 ] - [ 0.0007584000000000, -0.0004732600000000, 0.0003333700000000 ] - [ -0.0003665300000000, 0.0017114900000000, -0.0000316400000000 ] - [ 0.0014423600000000, -0.0001479500000000, -0.0000282000000000 ] - [ 0.0001571500000000, 0.0003058700000000, 0.0001622300000000 ] - [ 0.0002801600000000, 0.0002987700000000, 0.0001174600000000 ] - [ -0.0055888800000000, 0.0057597200000000, 0.0043715800000000 ] - [ -0.0030520600000000, -0.0014172900000000, -0.0019308400000000 ] - [ -0.0007150300000000, 0.0005208500000000, -0.0002946800000000 ] - [ -0.0006913300000000, 0.0005070400000000, -0.0002073700000000 ] - [ 0.1025834200000000, 0.0198233200000000, 0.0133558600000000 ] - [ -0.0023984000000000, -0.0000477300000000, 0.0000065200000000 ] - [ 0.0000201400000000, 0.0000426900000000, 0.0000692000000000 ] - [ -0.0000834100000000, 0.0000360000000000, 0.0000502400000000 ] - [ 0.0006617600000000, -0.0005369000000000, -0.0001079000000000 ] - [ -0.0004462200000000, 0.0000961300000000, -0.0000943600000000 ] - [ 0.0000725000000000, 0.0000434800000000, -0.0001423100000000 ] - [ -0.0000289900000000, 0.0000245900000000, -0.0001696600000000 ] - [ 0.0002370900000000, -0.0000767700000000, 0.0001558500000000 ] - [ 0.0001201000000000, -0.0000750200000000, 0.0002900200000000 ] - [ 0.0003015500000000, -0.0000284800000000, 0.0004390400000000 ] - [ 0.0000106200000000, -0.0000515200000000, 0.0001122400000000 ] - [ 0.0008454200000000, -0.0000154200000000, 0.0014459200000000 ] - [ -0.0006880100000000, 0.0002747200000000, -0.0002217300000000 ] - [ 0.0002175500000000, 0.0000636800000000, 0.0000499100000000 ] - [ -0.0001949200000000, 0.0002211300000000, 0.0003083800000000 ] - [ 0.0000675200000000, 0.0001220500000000, -0.0003498500000000 ] - [ -0.0000456600000000, 0.0001499900000000, -0.0002527100000000 ] - [ 0.0007998500000000, 0.0002822400000000, 0.0001720700000000 ] - [ -0.0004977200000000, 0.0001015200000000, -0.0002177200000000 ] - [ -0.0004248500000000, 0.0000347700000000, -0.0004996600000000 ] - [ -0.0007366700000000, 0.0004409400000000, 0.0000603900000000 ] - [ -0.0004213000000000, 0.0002973200000000, -0.0001097900000000 ] - [ -0.0006802200000000, 0.0002799600000000, -0.0003847600000000 ] - [ 0.0018830600000000, -0.0027074100000000, 0.0011894500000000 ] - [ -0.0009945400000000, 0.0006158900000000, 0.0005126100000000 ] - [ 0.0001676300000000, 0.0003189300000000, 0.0003305200000000 ] - [ 0.0000866600000000, 0.0003289500000000, 0.0003415100000000 ] - [ 0.0005391800000000, -0.0005190100000000, 0.0005139200000000 ] - [ 0.0003720300000000, -0.0000718200000000, 0.0000071400000000 ] - [ 0.0005998600000000, -0.0002852200000000, 0.0001098600000000 ] - [ 0.0005327200000000, -0.0002617700000000, 0.0002078800000000 ] - [ 0.0018985600000000, -0.0026765200000000, -0.0062537200000000 ] - [ -0.0014656800000000, 0.0000586600000000, 0.0003892500000000 ] - [ 0.0001123700000000, -0.0001695300000000, -0.0002861100000000 ] - [ -0.0000900200000000, -0.0001329000000000, -0.0003188900000000 ] - [ -0.0000627300000000, -0.0000364300000000, 0.0000852700000000 ] - [ -0.0004053100000000, -0.0000507600000000, -0.0006352300000000 ] - [ -0.0001814300000000, -0.0000930400000000, -0.0010307700000000 ] - [ -0.0004148100000000, 0.0000831300000000, 0.0003107200000000 ] - [ 0.0002861500000000, -0.0004579300000000, 0.0004980900000000 ] - [ -0.0000386600000000, -0.0002262900000000, 0.0002723800000000 ] - [ 0.0009427300000000, -0.0007261000000000, 0.0003408600000000 ] - [ -0.0002951400000000, -0.0001842500000000, 0.0004654700000000 ] - [ 0.0007413200000000, -0.0003089400000000, -0.0002430500000000 ] - [ 0.0005479400000000, -0.0006434400000000, 0.0004488400000000 ] - [ 0.0008668700000000, -0.0003925200000000, 0.0005199800000000 ] - [ 0.0003117300000000, -0.0007844900000000, -0.0005206900000000 ] - [ 0.0005621100000000, 0.0012060900000000, 0.0002168600000000 ] - [ 0.0004725900000000, 0.0000474100000000, 0.0002121400000000 ] - [ 0.0006983800000000, 0.0005249300000000, 0.0001677900000000 ] - [ 0.0006692700000000, 0.0005293700000000, 0.0001593600000000 ] - [ 0.0005974600000000, 0.0002519500000000, 0.0002821000000000 ] - [ 0.0005220000000000, 0.0003001300000000, 0.0000135100000000 ] - [ -0.0009122300000000, -0.0020284100000000, -0.0038914600000000 ] - [ -0.0003478600000000, 0.0007440700000000, 0.0012100100000000 ] - [ 0.0025865000000000, -0.0057339200000000, -0.0011940900000000 ] - [ -0.0015315600000000, 0.0008799500000000, -0.0003728200000000 ] - [ -0.0000794900000000, 0.0003151700000000, -0.0004384000000000 ] - [ -0.0001735600000000, 0.0003328200000000, -0.0004358300000000 ] - [ -0.0224478000000000, 0.0110167800000000, -0.0104066600000000 ] - [ -0.0039358300000000, -0.0007388800000000, 0.0011402100000000 ] - [ 0.0002071100000000, 0.0000608600000000, 0.0002244200000000 ] - [ 0.0001411600000000, 0.0000678000000000, 0.0001649400000000 ] - [ 0.0001249000000000, 0.0003925800000000, -0.0001218900000000 ] - [ -0.0005613100000000, -0.0002874900000000, -0.0003277100000000 ] - [ -0.0001781000000000, 0.0000712600000000, -0.0002918400000000 ] - [ -0.0001969900000000, 0.0000579300000000, -0.0002753000000000 ] - [ -0.0006502100000000, -0.0005153700000000, -0.0001454200000000 ] - [ -0.0007616200000000, -0.0005351100000000, -0.0003377000000000 ] - [ -0.0015703700000000, 0.0003528200000000, -0.0008360600000000 ] - [ -0.0006388500000000, -0.0009407900000000, 0.0002635900000000 ] - [ 0.0001948200000000, -0.0000409500000000, 0.0001774400000000 ] - [ -0.0002370900000000, -0.0000722500000000, 0.0000167100000000 ] - [ 0.0001943100000000, -0.0000090500000000, 0.0001239300000000 ] - [ -0.0002364700000000, -0.0000432900000000, 0.0001155800000000 ] - [ 0.0000813000000000, -0.0005565700000000, -0.0007037400000000 ] - [ -0.0003195300000000, -0.0002926700000000, -0.0003457600000000 ] - [ 0.0007834600000000, -0.0001472000000000, -0.0006890900000000 ] - [ -0.0005951000000000, -0.0003876300000000, -0.0002936400000000 ] - [ -0.0185218300000000, -0.0114355900000000, 0.0102341800000000 ] - [ -0.0036620000000000, 0.0007055200000000, -0.0009803300000000 ] - [ -0.0005134000000000, -0.0002608400000000, -0.0002913200000000 ] - [ -0.0005859700000000, -0.0002565300000000, -0.0002348400000000 ] - [ 0.0006232800000000, -0.0002011800000000, -0.0000491400000000 ] - [ -0.0004797100000000, -0.0002198400000000, 0.0004656100000000 ] - [ 0.0000258600000000, -0.0001616700000000, 0.0002054000000000 ] - [ -0.0000311700000000, -0.0001515200000000, 0.0001710000000000 ] - [ 0.0002984100000000, 0.0000763700000000, -0.0000884500000000 ] - [ -0.0001976800000000, -0.0000611800000000, -0.0002143600000000 ] - [ 0.0017557500000000, -0.0001414700000000, 0.0000444100000000 ] - [ -0.0008146600000000, 0.0000129700000000, -0.0001766100000000 ]- atom: 53 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0003821500000000, -0.0021311100000000, 0.0019529000000000 ] - [ -0.0006593100000000, -0.0010605700000000, 0.0005090300000000 ] - [ -0.0002592800000000, -0.0010855200000000, -0.0005746200000000 ] - [ -0.0004180900000000, -0.0009390800000000, -0.0002167800000000 ] - [ -0.0003691600000000, 0.0059560200000000, 0.0003621600000000 ] - [ -0.0014510800000000, 0.0007903300000000, -0.0003961600000000 ] - [ -0.0003197300000000, 0.0006671500000000, 0.0001334800000000 ] - [ -0.0003768300000000, 0.0006423200000000, 0.0000980600000000 ] - [ 0.0004391900000000, -0.0004421600000000, -0.0001796000000000 ] - [ 0.0003061800000000, -0.0005081100000000, -0.0000969600000000 ] - [ -0.0003984800000000, 0.0111012400000000, -0.0066311100000000 ] - [ -0.0009581700000000, -0.0002602300000000, 0.0006151900000000 ] - [ 0.0019381700000000, -0.0017495100000000, -0.0029181100000000 ] - [ -0.0002224700000000, 0.0000273400000000, -0.0005105800000000 ] - [ 0.0003915600000000, 0.0004932700000000, 0.0005578300000000 ] - [ 0.0003537700000000, 0.0005629500000000, 0.0002226100000000 ] - [ 0.0022048400000000, 0.0056548900000000, -0.0024554800000000 ] - [ 0.0013300100000000, 0.0003701800000000, -0.0004675800000000 ] - [ 0.0004992900000000, -0.0002529500000000, -0.0008406500000000 ] - [ 0.0005169600000000, -0.0002827000000000, -0.0008022400000000 ] - [ 0.0005228800000000, 0.0001542800000000, -0.0007173900000000 ] - [ 0.0005143300000000, 0.0002242300000000, -0.0007327400000000 ] - [ 0.0003209600000000, -0.0007336600000000, -0.0011091000000000 ] - [ 0.0006064500000000, -0.0001087700000000, -0.0008952600000000 ] - [ -0.0012723300000000, -0.0033905800000000, 0.0012737900000000 ] - [ -0.0003699500000000, -0.0009681100000000, 0.0007080700000000 ] - [ -0.0005148600000000, -0.0004060900000000, 0.0007415300000000 ] - [ -0.0005041300000000, -0.0003926400000000, 0.0007613700000000 ] - [ -0.0006507700000000, 0.0010382600000000, 0.0000585100000000 ] - [ -0.0004985000000000, 0.0006111000000000, 0.0006848000000000 ] - [ -0.0004714400000000, 0.0009953100000000, 0.0008504200000000 ] - [ -0.0004362600000000, 0.0006810000000000, 0.0007957000000000 ] - [ -0.0000348300000000, 0.0003014000000000, 0.0010912300000000 ] - [ 0.0002786300000000, 0.0001645900000000, 0.0004100600000000 ] - [ -0.0000854300000000, 0.0014153300000000, -0.0024830100000000 ] - [ 0.0006434200000000, 0.0005394300000000, -0.0007784500000000 ] - [ 0.0123735100000000, 0.0275911300000000, 0.0048920700000000 ] - [ 0.0009997300000000, 0.0033638100000000, 0.0000287900000000 ] - [ -0.0002302000000000, 0.0004792300000000, 0.0000207300000000 ] - [ -0.0001943300000000, 0.0004588300000000, 0.0000231200000000 ] - [ -0.0002916400000000, -0.0009730400000000, -0.0005815900000000 ] - [ -0.0001156900000000, -0.0006272700000000, -0.0002853800000000 ] - [ -0.0008954200000000, -0.0019477400000000, 0.0011542300000000 ] - [ 0.0007728700000000, -0.0012780000000000, 0.0005637200000000 ] - [ -0.0016421500000000, -0.0058384400000000, 0.0001203400000000 ] - [ 0.0011595800000000, -0.0017661800000000, 0.0004438900000000 ] - [ 0.0002061700000000, 0.0001169200000000, -0.0000091300000000 ] - [ 0.0002326700000000, 0.0001613500000000, -0.0000121200000000 ] - [ -0.0050889600000000, 0.0009498900000000, 0.0021134400000000 ] - [ 0.0009245900000000, -0.0003907600000000, 0.0006158100000000 ] - [ -0.0007320700000000, 0.0004368600000000, -0.0002606800000000 ] - [ -0.0006964000000000, 0.0004634800000000, -0.0002341600000000 ] - [ -0.0208907200000000, -0.0767816200000000, 0.0025958900000000 ] - [ 0.0000573800000000, -0.0007972300000000, 0.0003257800000000 ] - [ -0.0000328300000000, -0.0000448000000000, 0.0001087800000000 ] - [ -0.0000260600000000, -0.0000235800000000, 0.0001094600000000 ] - [ -0.0005460600000000, 0.0026654600000000, -0.0001951400000000 ] - [ 0.0000865100000000, 0.0005384200000000, -0.0001304000000000 ] - [ 0.0000334100000000, 0.0001649300000000, -0.0001076900000000 ] - [ 0.0000145500000000, 0.0001242000000000, -0.0001125100000000 ] - [ 0.0001617700000000, 0.0002613200000000, 0.0001614900000000 ] - [ 0.0002038800000000, 0.0001486400000000, 0.0001945200000000 ] - [ 0.0002290200000000, 0.0007878500000000, 0.0003990100000000 ] - [ 0.0002121400000000, 0.0006399700000000, 0.0002911700000000 ] - [ 0.0000201900000000, -0.0003532400000000, -0.0014260800000000 ] - [ -0.0000830600000000, -0.0000224600000000, -0.0000592200000000 ] - [ 0.0000326100000000, -0.0000691400000000, 0.0005710500000000 ] - [ -0.0000417400000000, 0.0000401500000000, 0.0003418000000000 ] - [ 0.0000100300000000, 0.0002603900000000, -0.0001292300000000 ] - [ 0.0000038800000000, 0.0002060700000000, -0.0002111700000000 ] - [ 0.0005103200000000, 0.0015608100000000, -0.0012524900000000 ] - [ -0.0001540300000000, 0.0005076600000000, -0.0002129100000000 ] - [ -0.0004025200000000, 0.0007154800000000, 0.0002801800000000 ] - [ -0.0008805300000000, 0.0005998800000000, 0.0000506100000000 ] - [ -0.0004465200000000, 0.0004992500000000, -0.0004044100000000 ] - [ -0.0006775200000000, 0.0004122600000000, -0.0004790200000000 ] - [ 0.0021504600000000, 0.0111916800000000, -0.0027785500000000 ] - [ -0.0001040900000000, 0.0005729900000000, 0.0002413500000000 ] - [ 0.0001423400000000, 0.0003529900000000, 0.0004347800000000 ] - [ 0.0001303400000000, 0.0003393600000000, 0.0004075500000000 ] - [ 0.0011939600000000, 0.0008072900000000, -0.0005195000000000 ] - [ 0.0003199400000000, 0.0002182200000000, -0.0000250500000000 ] - [ 0.0005605200000000, -0.0001451000000000, 0.0002693300000000 ] - [ 0.0005071300000000, -0.0001709700000000, 0.0002643300000000 ] - [ 0.0023821900000000, -0.0014299800000000, 0.0069195100000000 ] - [ -0.0002181800000000, -0.0006669100000000, -0.0001162800000000 ] - [ 0.0000288400000000, -0.0003151400000000, -0.0003401500000000 ] - [ 0.0000032000000000, -0.0002456000000000, -0.0002868000000000 ] - [ -0.0001479900000000, -0.0004668300000000, -0.0002298800000000 ] - [ -0.0000247300000000, -0.0003712600000000, -0.0001351000000000 ] - [ -0.0003007000000000, -0.0013602700000000, -0.0005873800000000 ] - [ -0.0000824100000000, -0.0006360300000000, -0.0003802200000000 ] - [ 0.0001395500000000, -0.0002128300000000, 0.0000422300000000 ] - [ 0.0001254300000000, -0.0002967700000000, 0.0002544500000000 ] - [ 0.0004655600000000, -0.0000012000000000, 0.0015592400000000 ] - [ 0.0000306400000000, -0.0001978800000000, 0.0006205800000000 ] - [ 0.0004997400000000, -0.0007591800000000, -0.0001289600000000 ] - [ 0.0008403200000000, -0.0006021200000000, -0.0000422700000000 ] - [ 0.0005262400000000, -0.0006656100000000, 0.0005765600000000 ] - [ 0.0010152200000000, -0.0006139200000000, 0.0007943800000000 ] - [ -0.0008025000000000, 0.0023813100000000, -0.0008022700000000 ] - [ 0.0013957300000000, 0.0013113400000000, 0.0003161100000000 ] - [ 0.0006822100000000, 0.0005589100000000, 0.0002059800000000 ] - [ 0.0006948500000000, 0.0005577200000000, 0.0002033000000000 ] - [ 0.0005691800000000, 0.0001856400000000, 0.0001034500000000 ] - [ 0.0005396200000000, 0.0001922600000000, 0.0001380900000000 ] - [ 0.0027455700000000, 0.0004785900000000, 0.0034309700000000 ] - [ -0.0006799800000000, -0.0006722300000000, 0.0009335700000000 ] - [ 0.0060382600000000, 0.0203527200000000, 0.0039477000000000 ] - [ -0.0003176200000000, 0.0003736600000000, -0.0003488200000000 ] - [ -0.0001068300000000, 0.0003005400000000, -0.0004141100000000 ] - [ -0.0001228400000000, 0.0003085100000000, -0.0004069600000000 ] - [ -0.0118404400000000, -0.0011259800000000, -0.0044999200000000 ] - [ 0.0020129600000000, -0.0013115900000000, -0.0000570000000000 ] - [ 0.0001884500000000, -0.0000218400000000, 0.0002624000000000 ] - [ 0.0001975200000000, -0.0000148200000000, 0.0002618900000000 ] - [ -0.0004368100000000, 0.0015925400000000, -0.0002141400000000 ] - [ 0.0003469000000000, 0.0013384700000000, -0.0001978000000000 ] - [ -0.0001831500000000, 0.0001499700000000, -0.0002721000000000 ] - [ -0.0001728500000000, 0.0001316600000000, -0.0002517900000000 ] - [ -0.0007377500000000, -0.0004609200000000, -0.0001043400000000 ] - [ -0.0006029000000000, -0.0004615000000000, -0.0000607000000000 ] - [ -0.0025707400000000, 0.0014472200000000, -0.0014715400000000 ] - [ -0.0004712000000000, -0.0001432700000000, -0.0005212200000000 ] - [ 0.0000015400000000, 0.0005285800000000, 0.0002525000000000 ] - [ -0.0000334700000000, 0.0002041100000000, 0.0001520100000000 ] - [ -0.0000312500000000, 0.0005291700000000, -0.0001033300000000 ] - [ -0.0000625400000000, 0.0002041400000000, 0.0000561700000000 ] - [ -0.0000981700000000, -0.0001610100000000, 0.0001274600000000 ] - [ -0.0001280600000000, -0.0003496900000000, -0.0002765700000000 ] - [ 0.0004879600000000, -0.0001209000000000, -0.0014631400000000 ] - [ -0.0002359700000000, -0.0003658000000000, -0.0006302000000000 ] - [ 0.0107715000000000, 0.0001119500000000, -0.0051928600000000 ] - [ -0.0016938000000000, -0.0013378200000000, 0.0000429400000000 ] - [ -0.0005605300000000, -0.0003226800000000, -0.0001762400000000 ] - [ -0.0005768900000000, -0.0003159000000000, -0.0001998100000000 ] - [ 0.0005368200000000, 0.0017720300000000, 0.0006872800000000 ] - [ -0.0001543700000000, 0.0003143200000000, 0.0003379700000000 ] - [ -0.0000034400000000, -0.0000848400000000, 0.0002056900000000 ] - [ -0.0000036900000000, -0.0001084400000000, 0.0002191400000000 ] - [ -0.0000854500000000, -0.0003189400000000, -0.0002433700000000 ] - [ 0.0000515800000000, -0.0001615300000000, -0.0001657700000000 ] - [ 0.0001378200000000, -0.0021494700000000, 0.0010531500000000 ] - [ -0.0000228200000000, -0.0005607100000000, -0.0000013800000000 ]- atom: 53 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0011050600000000, 0.0008920700000000, -0.0019598900000000 ] - [ -0.0000491900000000, -0.0001728500000000, -0.0005034300000000 ] - [ -0.0004541000000000, -0.0001432900000000, 0.0005914600000000 ] - [ -0.0002932100000000, -0.0002898500000000, 0.0002290500000000 ] - [ -0.0001500000000000, -0.0051307400000000, -0.0006233300000000 ] - [ 0.0007425700000000, 0.0004284700000000, 0.0003990100000000 ] - [ -0.0003929700000000, 0.0005585300000000, -0.0001198400000000 ] - [ -0.0003354900000000, 0.0005841700000000, -0.0000854900000000 ] - [ 0.0002729400000000, -0.0007853900000000, 0.0001760700000000 ] - [ 0.0004073800000000, -0.0007196100000000, 0.0000922400000000 ] - [ 0.0009549600000000, -0.0120066500000000, 0.0061584900000000 ] - [ 0.0016818300000000, -0.0009620300000000, -0.0006357300000000 ] - [ -0.0012198300000000, 0.0030049200000000, 0.0028972600000000 ] - [ 0.0009364700000000, 0.0012106200000000, 0.0005021200000000 ] - [ 0.0003214400000000, 0.0007356900000000, -0.0005610500000000 ] - [ 0.0003589100000000, 0.0006660900000000, -0.0002292300000000 ] - [ -0.0013179100000000, -0.0064123600000000, 0.0010951300000000 ] - [ -0.0002915000000000, -0.0010672800000000, -0.0010435400000000 ] - [ 0.0005227300000000, -0.0004429600000000, -0.0006707800000000 ] - [ 0.0005054400000000, -0.0004139800000000, -0.0007103200000000 ] - [ 0.0004990800000000, 0.0005395400000000, -0.0007946900000000 ] - [ 0.0005082200000000, 0.0004701200000000, -0.0007808000000000 ] - [ 0.0007046100000000, 0.0014294000000000, -0.0004009200000000 ] - [ 0.0004130600000000, 0.0008043000000000, -0.0006179600000000 ] - [ 0.0002420200000000, 0.0026916700000000, 0.0002450100000000 ] - [ -0.0006496600000000, 0.0002766100000000, 0.0008041400000000 ] - [ -0.0005070700000000, -0.0002888000000000, 0.0007734300000000 ] - [ -0.0005182400000000, -0.0003019800000000, 0.0007541800000000 ] - [ -0.0003679700000000, -0.0003471400000000, 0.0014710500000000 ] - [ -0.0005241900000000, 0.0000831900000000, 0.0008314600000000 ] - [ -0.0005515000000000, -0.0003007900000000, 0.0006620100000000 ] - [ -0.0005848000000000, 0.0000127400000000, 0.0007191900000000 ] - [ 0.0004602800000000, -0.0009095800000000, -0.0010323900000000 ] - [ 0.0001527800000000, -0.0007709400000000, -0.0003523300000000 ] - [ 0.0005123800000000, -0.0020279100000000, 0.0025363500000000 ] - [ -0.0002189200000000, -0.0011486800000000, 0.0008310700000000 ] - [ -0.0119413900000000, -0.0267132800000000, -0.0045706800000000 ] - [ -0.0014479700000000, -0.0027602200000000, -0.0000826800000000 ] - [ -0.0001985400000000, 0.0001219700000000, -0.0000669700000000 ] - [ -0.0002337000000000, 0.0001423900000000, -0.0000698300000000 ] - [ -0.0001360700000000, 0.0003777700000000, 0.0005317500000000 ] - [ -0.0003123300000000, 0.0000276500000000, 0.0002358000000000 ] - [ 0.0004600800000000, 0.0013524800000000, -0.0012002900000000 ] - [ -0.0011931400000000, 0.0006778100000000, -0.0006124200000000 ] - [ 0.0020968800000000, 0.0064661700000000, -0.0000732300000000 ] - [ -0.0007429800000000, 0.0023645000000000, -0.0004036100000000 ] - [ 0.0002230400000000, 0.0004841200000000, 0.0000644200000000 ] - [ 0.0001956800000000, 0.0004398400000000, 0.0000669400000000 ] - [ 0.0036821200000000, 0.0000717700000000, -0.0024996200000000 ] - [ -0.0023209800000000, 0.0014142100000000, -0.0010239400000000 ] - [ -0.0006556100000000, 0.0005997900000000, -0.0001465000000000 ] - [ -0.0006907200000000, 0.0005734200000000, -0.0001725700000000 ] - [ 0.0199860000000000, 0.0765730000000000, -0.0023422600000000 ] - [ -0.0001121600000000, 0.0008691300000000, -0.0000970500000000 ] - [ -0.0000193500000000, 0.0001159800000000, 0.0001149500000000 ] - [ -0.0000261100000000, 0.0000946900000000, 0.0001145300000000 ] - [ 0.0005987500000000, -0.0025992000000000, -0.0000213700000000 ] - [ -0.0000346100000000, -0.0004681600000000, -0.0000922800000000 ] - [ 0.0000183500000000, -0.0000942400000000, -0.0001196300000000 ] - [ 0.0000371900000000, -0.0000533200000000, -0.0001141100000000 ] - [ 0.0002008800000000, -0.0003902500000000, 0.0003252600000000 ] - [ 0.0001575500000000, -0.0002772800000000, 0.0002917300000000 ] - [ 0.0001352700000000, -0.0009206700000000, 0.0000832200000000 ] - [ 0.0001472800000000, -0.0007678900000000, 0.0001935000000000 ] - [ -0.0000328700000000, 0.0006718600000000, 0.0018945200000000 ] - [ 0.0000659000000000, 0.0003334700000000, 0.0005290500000000 ] - [ -0.0000468300000000, 0.0003794500000000, -0.0000997200000000 ] - [ 0.0000274900000000, 0.0002691800000000, 0.0001302700000000 ] - [ 0.0000050400000000, 0.0000467600000000, -0.0003449800000000 ] - [ 0.0000111800000000, 0.0001018200000000, -0.0002625500000000 ] - [ -0.0004921800000000, -0.0012544500000000, 0.0007746700000000 ] - [ 0.0001662800000000, -0.0002018100000000, -0.0002577900000000 ] - [ -0.0007133500000000, -0.0001892100000000, -0.0006829200000000 ] - [ -0.0002368900000000, -0.0000723700000000, -0.0004550100000000 ] - [ -0.0006685800000000, 0.0000297400000000, -0.0000023700000000 ] - [ -0.0004402000000000, 0.0001174900000000, 0.0000724800000000 ] - [ -0.0019388900000000, -0.0107595500000000, 0.0036296700000000 ] - [ 0.0003558900000000, 0.0000818700000000, 0.0005290700000000 ] - [ 0.0001103400000000, 0.0002957700000000, 0.0003306300000000 ] - [ 0.0001227900000000, 0.0003093500000000, 0.0003583100000000 ] - [ -0.0000871800000000, -0.0013426600000000, 0.0009359100000000 ] - [ 0.0007990600000000, -0.0007477800000000, 0.0004336000000000 ] - [ 0.0005561400000000, -0.0003863200000000, 0.0001332600000000 ] - [ 0.0006107300000000, -0.0003606000000000, 0.0001385200000000 ] - [ -0.0023797500000000, 0.0010531700000000, -0.0074361300000000 ] - [ 0.0002341100000000, 0.0003567900000000, -0.0003575800000000 ] - [ -0.0000134300000000, 0.0000055900000000, -0.0001342500000000 ] - [ 0.0000116700000000, -0.0000637200000000, -0.0001870900000000 ] - [ -0.0002126800000000, 0.0003395400000000, -0.0002590800000000 ] - [ -0.0003398300000000, 0.0002443100000000, -0.0003547700000000 ] - [ -0.0000621500000000, 0.0012291500000000, 0.0000993400000000 ] - [ -0.0002795200000000, 0.0005108500000000, -0.0001034900000000 ] - [ 0.0001124500000000, -0.0004336200000000, 0.0007243300000000 ] - [ 0.0001266100000000, -0.0003514300000000, 0.0005119300000000 ] - [ -0.0002190500000000, -0.0006453600000000, -0.0008007700000000 ] - [ 0.0002231800000000, -0.0004506800000000, 0.0001465700000000 ] - [ 0.0008877300000000, -0.0002745600000000, 0.0005323800000000 ] - [ 0.0005481000000000, -0.0004337400000000, 0.0004474400000000 ] - [ 0.0008627900000000, -0.0003699400000000, -0.0001734100000000 ] - [ 0.0003698300000000, -0.0004242000000000, -0.0003906800000000 ] - [ 0.0022039800000000, -0.0013502000000000, 0.0012216500000000 ] - [ -0.0000175800000000, -0.0002735700000000, 0.0000890300000000 ] - [ 0.0007046400000000, 0.0004788900000000, 0.0001983800000000 ] - [ 0.0006920000000000, 0.0004800100000000, 0.0002010800000000 ] - [ 0.0005485600000000, 0.0003456700000000, 0.0002999100000000 ] - [ 0.0005773500000000, 0.0003385300000000, 0.0002646500000000 ] - [ -0.0016467500000000, 0.0000576400000000, -0.0030445000000000 ] - [ 0.0018074200000000, 0.0012121800000000, -0.0005276700000000 ] - [ -0.0061238700000000, -0.0192522800000000, -0.0046032000000000 ] - [ 0.0000663900000000, 0.0002702100000000, -0.0004168200000000 ] - [ -0.0001453600000000, 0.0003475900000000, -0.0003550600000000 ] - [ -0.0001295700000000, 0.0003397600000000, -0.0003617700000000 ] - [ 0.0121747300000000, 0.0013575500000000, 0.0049829500000000 ] - [ -0.0016458000000000, 0.0014494700000000, 0.0005459100000000 ] - [ 0.0001734600000000, 0.0001490100000000, 0.0002221600000000 ] - [ 0.0001641600000000, 0.0001418300000000, 0.0002228300000000 ] - [ 0.0000697000000000, -0.0014706100000000, -0.0002686100000000 ] - [ -0.0007026400000000, -0.0012146200000000, -0.0002858600000000 ] - [ -0.0001790400000000, -0.0000229600000000, -0.0002153500000000 ] - [ -0.0001892400000000, -0.0000048600000000, -0.0002355000000000 ] - [ -0.0006491100000000, -0.0005784700000000, -0.0003018100000000 ] - [ -0.0007844700000000, -0.0005779500000000, -0.0003457700000000 ] - [ 0.0011722100000000, -0.0024746500000000, 0.0010610900000000 ] - [ -0.0009124500000000, -0.0009003800000000, 0.0001181100000000 ] - [ -0.0000524900000000, -0.0006031600000000, -0.0000259000000000 ] - [ -0.0000183200000000, -0.0002773300000000, 0.0000732600000000 ] - [ -0.0000204100000000, -0.0006025700000000, 0.0003255000000000 ] - [ 0.0000105800000000, -0.0002773000000000, 0.0001685600000000 ] - [ -0.0001541600000000, -0.0004943100000000, -0.0008999300000000 ] - [ -0.0001246400000000, -0.0003014100000000, -0.0004919000000000 ] - [ -0.0007349800000000, -0.0005296400000000, 0.0006926300000000 ] - [ -0.0000189500000000, -0.0002851600000000, -0.0001356700000000 ] - [ -0.0118770400000000, -0.0007182400000000, 0.0047905600000000 ] - [ 0.0005819400000000, 0.0008017900000000, -0.0004384200000000 ] - [ -0.0005558300000000, -0.0002081100000000, -0.0002312500000000 ] - [ -0.0005394500000000, -0.0002148400000000, -0.0002070100000000 ] - [ -0.0005576500000000, -0.0020902700000000, -0.0002171600000000 ] - [ 0.0001422400000000, -0.0006235500000000, 0.0001365700000000 ] - [ -0.0000113200000000, -0.0002244800000000, 0.0002656300000000 ] - [ -0.0000108000000000, -0.0002011200000000, 0.0002519400000000 ] - [ 0.0001381800000000, 0.0002485400000000, 0.0000143800000000 ] - [ -0.0000000100000000, 0.0000901100000000, -0.0000615100000000 ] - [ -0.0000838900000000, 0.0020901800000000, -0.0012631500000000 ] - [ 0.0000754500000000, 0.0004913800000000, -0.0002224000000000 ]- atom: 53 displacement: [ -0.0002094772357658, 0.0000000000000000, 0.0099978057236424 ] forces: - [ -0.0008373900000000, 0.0008542500000000, -0.0000732400000000 ] - [ -0.0000687500000000, -0.0002209800000000, 0.0003546600000000 ] - [ -0.0001291000000000, -0.0010183000000000, -0.0012222600000000 ] - [ -0.0006404800000000, -0.0008391000000000, -0.0008581900000000 ] - [ -0.0004692000000000, 0.0014833800000000, 0.0082054500000000 ] - [ -0.0011344100000000, 0.0001497300000000, 0.0021198700000000 ] - [ -0.0004475700000000, 0.0008594600000000, -0.0014161700000000 ] - [ -0.0003432700000000, 0.0007730100000000, -0.0010996500000000 ] - [ 0.0005362100000000, -0.0007007200000000, -0.0015862200000000 ] - [ 0.0001477100000000, -0.0006511000000000, -0.0011546200000000 ] - [ 0.0016289400000000, -0.0064920400000000, 0.0114347600000000 ] - [ 0.0013984100000000, -0.0003217900000000, 0.0011149000000000 ] - [ 0.0016995100000000, -0.0027421200000000, -0.0001595800000000 ] - [ -0.0002301700000000, -0.0000475000000000, 0.0004895000000000 ] - [ 0.0002846200000000, 0.0008081400000000, -0.0015051800000000 ] - [ 0.0003664000000000, 0.0006289800000000, -0.0009233400000000 ] - [ -0.0029888500000000, -0.0036026900000000, 0.0093882900000000 ] - [ -0.0006955000000000, -0.0002543500000000, -0.0003514900000000 ] - [ 0.0004685500000000, -0.0003265400000000, -0.0014722800000000 ] - [ 0.0005183400000000, -0.0003402000000000, -0.0012350500000000 ] - [ 0.0006074600000000, 0.0003811600000000, -0.0011881600000000 ] - [ 0.0004099400000000, 0.0003349000000000, -0.0010857200000000 ] - [ 0.0004488500000000, 0.0003490200000000, -0.0005222500000000 ] - [ 0.0006703300000000, 0.0003654400000000, -0.0005158700000000 ] - [ -0.0006659500000000, -0.0007022400000000, 0.0020382300000000 ] - [ -0.0004929700000000, -0.0003329600000000, 0.0015442900000000 ] - [ -0.0005174100000000, -0.0003767800000000, 0.0002179100000000 ] - [ -0.0005333900000000, -0.0003678600000000, 0.0003009600000000 ] - [ -0.0012585600000000, 0.0007960500000000, -0.0017417700000000 ] - [ -0.0002256100000000, 0.0002978100000000, 0.0005126000000000 ] - [ 0.0001563200000000, 0.0005916800000000, -0.0003784900000000 ] - [ -0.0010024600000000, 0.0003823800000000, 0.0003654500000000 ] - [ 0.0012770700000000, 0.0002393300000000, -0.0026110100000000 ] - [ -0.0005319500000000, 0.0000858900000000, -0.0010320400000000 ] - [ -0.0015989600000000, -0.0020726000000000, -0.0031610000000000 ] - [ 0.0009473400000000, -0.0006436600000000, -0.0003864500000000 ] - [ 0.0064977000000000, 0.0035784700000000, 0.0256314900000000 ] - [ 0.0018448000000000, 0.0003237400000000, 0.0040117700000000 ] - [ -0.0001291800000000, 0.0002551000000000, -0.0016466900000000 ] - [ -0.0003543700000000, 0.0002547900000000, -0.0014012300000000 ] - [ -0.0006349800000000, -0.0010850400000000, -0.0011812000000000 ] - [ 0.0000162900000000, -0.0004633200000000, -0.0007376500000000 ] - [ 0.0005685000000000, 0.0006466700000000, -0.0004441900000000 ] - [ -0.0016322100000000, 0.0002922800000000, -0.0003904600000000 ] - [ 0.0008061600000000, 0.0011230700000000, 0.0027236600000000 ] - [ 0.0005286800000000, 0.0003689800000000, 0.0018239200000000 ] - [ 0.0001817900000000, 0.0003439700000000, -0.0013152800000000 ] - [ 0.0001570900000000, 0.0003569600000000, -0.0011478200000000 ] - [ -0.0056149500000000, 0.0033699500000000, -0.0001994600000000 ] - [ 0.0009525900000000, 0.0014007800000000, -0.0015369100000000 ] - [ -0.0005267100000000, 0.0006131800000000, 0.0003291300000000 ] - [ -0.0006510800000000, 0.0005891600000000, 0.0002525000000000 ] - [ -0.0121403200000000, 0.0027452600000000, -0.0689141500000000 ] - [ 0.0000236900000000, 0.0002451400000000, -0.0010506000000000 ] - [ 0.0000209900000000, 0.0000330700000000, 0.0007383300000000 ] - [ 0.0000371200000000, 0.0000334500000000, 0.0006001300000000 ] - [ 0.0000319300000000, 0.0001090200000000, -0.0008271900000000 ] - [ -0.0000045300000000, 0.0000561200000000, -0.0006176300000000 ] - [ 0.0000579900000000, 0.0000300100000000, 0.0003989600000000 ] - [ 0.0000827100000000, 0.0000347900000000, 0.0003137500000000 ] - [ 0.0003177300000000, -0.0000517300000000, 0.0005567300000000 ] - [ 0.0001173300000000, -0.0000731400000000, 0.0004539100000000 ] - [ -0.0000022000000000, 0.0000044700000000, 0.0003460000000000 ] - [ 0.0004712900000000, -0.0002875900000000, 0.0003035200000000 ] - [ -0.0005777600000000, -0.0010106900000000, 0.0024923200000000 ] - [ 0.0002636600000000, -0.0000386300000000, 0.0003509100000000 ] - [ 0.0000373800000000, 0.0004766200000000, 0.0013949200000000 ] - [ -0.0001076000000000, 0.0002121100000000, 0.0006257600000000 ] - [ -0.0000158900000000, 0.0002960100000000, 0.0004449400000000 ] - [ -0.0000452600000000, 0.0001860900000000, 0.0002024800000000 ] - [ -0.0005889200000000, -0.0006476400000000, -0.0008521600000000 ] - [ 0.0002926100000000, -0.0000057000000000, -0.0008054800000000 ] - [ -0.0002241900000000, 0.0007444600000000, -0.0000291500000000 ] - [ -0.0009056100000000, 0.0004729400000000, -0.0000113700000000 ] - [ -0.0008332200000000, 0.0001556000000000, 0.0002761100000000 ] - [ -0.0004094900000000, 0.0001879200000000, 0.0003284500000000 ] - [ -0.0004090300000000, -0.0033890100000000, -0.0014144000000000 ] - [ 0.0003166100000000, 0.0000409800000000, -0.0003115300000000 ] - [ 0.0001042400000000, 0.0003302100000000, 0.0009724300000000 ] - [ 0.0001226300000000, 0.0002933800000000, 0.0008440200000000 ] - [ 0.0002972500000000, -0.0004990200000000, -0.0001432200000000 ] - [ 0.0007695200000000, -0.0004050200000000, -0.0003716800000000 ] - [ 0.0005380200000000, -0.0002123600000000, 0.0007278500000000 ] - [ 0.0004290700000000, -0.0002226000000000, 0.0006713600000000 ] - [ 0.0070113100000000, 0.0082884200000000, 0.0160058400000000 ] - [ -0.0004052200000000, -0.0001278100000000, -0.0004714900000000 ] - [ -0.0001357500000000, -0.0001804900000000, 0.0006207600000000 ] - [ 0.0000417500000000, -0.0001670900000000, 0.0003162300000000 ] - [ -0.0005317400000000, 0.0000293700000000, 0.0004442200000000 ] - [ 0.0003980900000000, -0.0001650500000000, 0.0003984600000000 ] - [ 0.0006798800000000, 0.0000249700000000, 0.0008050300000000 ] - [ -0.0005810900000000, -0.0000358100000000, -0.0000269000000000 ] - [ 0.0001464500000000, -0.0007346600000000, 0.0010788900000000 ] - [ 0.0002357800000000, -0.0004445100000000, 0.0006736300000000 ] - [ 0.0001450100000000, 0.0005369400000000, 0.0009253500000000 ] - [ 0.0000052600000000, -0.0001712300000000, 0.0003548200000000 ] - [ 0.0011371200000000, -0.0008280500000000, 0.0007141800000000 ] - [ 0.0001815300000000, -0.0007937900000000, 0.0004877600000000 ] - [ 0.0003134800000000, -0.0002750500000000, 0.0005672400000000 ] - [ 0.0012946900000000, -0.0001154100000000, 0.0009048700000000 ] - [ -0.0001551700000000, 0.0011525900000000, -0.0013701600000000 ] - [ 0.0004426200000000, 0.0006369100000000, -0.0006500100000000 ] - [ 0.0008151000000000, 0.0003973700000000, 0.0006429900000000 ] - [ 0.0007990200000000, 0.0004112100000000, 0.0006326900000000 ] - [ 0.0003402600000000, 0.0001366000000000, 0.0008507300000000 ] - [ 0.0005837200000000, 0.0001688000000000, 0.0007660800000000 ] - [ 0.0037494800000000, 0.0026884000000000, 0.0021361400000000 ] - [ -0.0002658100000000, 0.0003788500000000, -0.0000268500000000 ] - [ 0.0008761600000000, 0.0049076900000000, -0.0045903700000000 ] - [ -0.0003233100000000, 0.0003680300000000, -0.0014318600000000 ] - [ -0.0001469000000000, 0.0003445200000000, 0.0002269700000000 ] - [ -0.0001083000000000, 0.0003564400000000, 0.0001069600000000 ] - [ 0.0120937600000000, -0.0047548000000000, -0.0014381900000000 ] - [ -0.0013146800000000, -0.0001930200000000, -0.0011833500000000 ] - [ 0.0002131500000000, 0.0000951000000000, 0.0007407100000000 ] - [ 0.0002876500000000, 0.0000798900000000, 0.0007239400000000 ] - [ -0.0003562700000000, 0.0002480600000000, -0.0012214400000000 ] - [ -0.0001877200000000, 0.0002772200000000, -0.0009043300000000 ] - [ -0.0001143000000000, 0.0000317100000000, 0.0002117800000000 ] - [ -0.0001198600000000, 0.0000491900000000, 0.0001624300000000 ] - [ -0.0007852700000000, -0.0004632100000000, 0.0001148300000000 ] - [ -0.0004358300000000, -0.0004998100000000, 0.0001931700000000 ] - [ 0.0015911300000000, -0.0026918400000000, 0.0011695600000000 ] - [ -0.0010085900000000, -0.0006901400000000, -0.0002366500000000 ] - [ -0.0000305500000000, 0.0001785600000000, 0.0004348300000000 ] - [ -0.0000328500000000, 0.0000193700000000, 0.0002447200000000 ] - [ -0.0000840600000000, -0.0001741400000000, 0.0004346600000000 ] - [ 0.0000663300000000, -0.0000753900000000, 0.0002478700000000 ] - [ -0.0001383700000000, 0.0005008600000000, 0.0008156800000000 ] - [ -0.0001771800000000, -0.0002265400000000, -0.0001391900000000 ] - [ -0.0008395300000000, -0.0011769400000000, 0.0005992200000000 ] - [ 0.0001222500000000, -0.0004345000000000, -0.0002092300000000 ] - [ -0.0123525800000000, -0.0058695400000000, -0.0005073400000000 ] - [ 0.0010389300000000, -0.0001791100000000, -0.0022668700000000 ] - [ -0.0006026100000000, -0.0002849100000000, 0.0004392800000000 ] - [ -0.0006836000000000, -0.0002902000000000, 0.0003841500000000 ] - [ 0.0004572500000000, 0.0001369000000000, -0.0012558200000000 ] - [ 0.0000076600000000, -0.0001166700000000, -0.0004588200000000 ] - [ -0.0000910200000000, -0.0001857000000000, 0.0008526800000000 ] - [ -0.0000375500000000, -0.0001754200000000, 0.0007314100000000 ] - [ 0.0000094000000000, -0.0001623100000000, 0.0008968000000000 ] - [ 0.0001247400000000, -0.0000884000000000, 0.0002965300000000 ] - [ -0.0000639900000000, 0.0011110900000000, 0.0043981100000000 ] - [ 0.0000687900000000, 0.0000761500000000, -0.0002360800000000 ]- atom: 53 displacement: [ 0.0002094772357658, 0.0000000000000000, -0.0099978057236424 ] forces: - [ 0.0001213700000000, -0.0020804500000000, 0.0000938400000000 ] - [ -0.0006420500000000, -0.0010066100000000, -0.0003406200000000 ] - [ -0.0005863300000000, -0.0002071000000000, 0.0012336100000000 ] - [ -0.0000696100000000, -0.0003881200000000, 0.0008688600000000 ] - [ -0.0001824700000000, -0.0004204000000000, -0.0083045700000000 ] - [ 0.0004282200000000, 0.0010778700000000, -0.0021208600000000 ] - [ -0.0002660900000000, 0.0003695500000000, 0.0014282900000000 ] - [ -0.0003686200000000, 0.0004553900000000, 0.0011124300000000 ] - [ 0.0001780900000000, -0.0005281500000000, 0.0015798300000000 ] - [ 0.0005645200000000, -0.0005771100000000, 0.0011495400000000 ] - [ -0.0010922800000000, 0.0057026300000000, -0.0118275300000000 ] - [ -0.0006683800000000, -0.0009005000000000, -0.0011357200000000 ] - [ -0.0009872800000000, 0.0039653200000000, 0.0001721200000000 ] - [ 0.0009459000000000, 0.0012786200000000, -0.0004898700000000 ] - [ 0.0004277300000000, 0.0004180700000000, 0.0015025100000000 ] - [ 0.0003471300000000, 0.0005991700000000, 0.0009156700000000 ] - [ 0.0036139000000000, 0.0025833300000000, -0.0104988400000000 ] - [ 0.0017329800000000, -0.0004405900000000, -0.0011573800000000 ] - [ 0.0005545000000000, -0.0003679300000000, -0.0000385300000000 ] - [ 0.0005039400000000, -0.0003542900000000, -0.0002776700000000 ] - [ 0.0004158000000000, 0.0003138200000000, -0.0003238100000000 ] - [ 0.0006131300000000, 0.0003596800000000, -0.0004262900000000 ] - [ 0.0005733000000000, 0.0003443400000000, -0.0009937800000000 ] - [ 0.0003527400000000, 0.0003293500000000, -0.0010000200000000 ] - [ -0.0003542500000000, 0.0000205100000000, -0.0005316800000000 ] - [ -0.0005293000000000, -0.0003613900000000, -0.0000318200000000 ] - [ -0.0005059000000000, -0.0003177900000000, 0.0012989700000000 ] - [ -0.0004891200000000, -0.0003264000000000, 0.0012158000000000 ] - [ 0.0002319000000000, -0.0000973100000000, 0.0032506500000000 ] - [ -0.0007951800000000, 0.0003967200000000, 0.0010052200000000 ] - [ -0.0011870800000000, 0.0000996000000000, 0.0018979000000000 ] - [ -0.0000155700000000, 0.0003124600000000, 0.0011500800000000 ] - [ -0.0008434400000000, -0.0008385300000000, 0.0026592200000000 ] - [ 0.0009591800000000, -0.0006855100000000, 0.0010914800000000 ] - [ 0.0020462800000000, 0.0014882800000000, 0.0032270400000000 ] - [ -0.0005202000000000, 0.0000400600000000, 0.0004299700000000 ] - [ -0.0064282500000000, -0.0026973700000000, -0.0255773700000000 ] - [ -0.0022788300000000, 0.0002824300000000, -0.0040651300000000 ] - [ -0.0003009900000000, 0.0003464800000000, 0.0016003000000000 ] - [ -0.0000727000000000, 0.0003469000000000, 0.0013543500000000 ] - [ 0.0002047500000000, 0.0004788000000000, 0.0011357600000000 ] - [ -0.0004437900000000, -0.0001386000000000, 0.0006927300000000 ] - [ -0.0010062300000000, -0.0012509100000000, 0.0003881000000000 ] - [ 0.0012180100000000, -0.0008971100000000, 0.0003403700000000 ] - [ -0.0003861200000000, -0.0005281900000000, -0.0026800300000000 ] - [ -0.0000972900000000, 0.0002323300000000, -0.0017752700000000 ] - [ 0.0002474000000000, 0.0002581800000000, 0.0013702100000000 ] - [ 0.0002712100000000, 0.0002449600000000, 0.0012019600000000 ] - [ 0.0042005500000000, -0.0023097800000000, -0.0002136800000000 ] - [ -0.0023475100000000, -0.0003707400000000, 0.0011191400000000 ] - [ -0.0008615000000000, 0.0004243700000000, -0.0007352200000000 ] - [ -0.0007355300000000, 0.0004486700000000, -0.0006574900000000 ] - [ 0.0120106000000000, -0.0030408400000000, 0.0688589500000000 ] - [ -0.0000805400000000, -0.0001742200000000, 0.0012798700000000 ] - [ -0.0000725500000000, 0.0000387100000000, -0.0005120900000000 ] - [ -0.0000889100000000, 0.0000383100000000, -0.0003744000000000 ] - [ 0.0000217000000000, -0.0000405800000000, 0.0006005400000000 ] - [ 0.0000547100000000, 0.0000155500000000, 0.0003929000000000 ] - [ -0.0000064300000000, 0.0000418400000000, -0.0006248100000000 ] - [ -0.0000314800000000, 0.0000370200000000, -0.0005393200000000 ] - [ 0.0000442900000000, -0.0000758500000000, -0.0000712600000000 ] - [ 0.0002441700000000, -0.0000548500000000, 0.0000318100000000 ] - [ 0.0003658900000000, -0.0001332200000000, 0.0001428100000000 ] - [ -0.0001114200000000, 0.0001621200000000, 0.0001841600000000 ] - [ 0.0005604200000000, 0.0013137600000000, -0.0020110400000000 ] - [ -0.0002799500000000, 0.0003483800000000, 0.0001177300000000 ] - [ -0.0000535800000000, -0.0001708000000000, -0.0009279400000000 ] - [ 0.0000926200000000, 0.0000974200000000, -0.0001508800000000 ] - [ 0.0000313400000000, 0.0000141500000000, -0.0009178000000000 ] - [ 0.0000605200000000, 0.0001233100000000, -0.0006759200000000 ] - [ 0.0006116600000000, 0.0009602000000000, 0.0003887500000000 ] - [ -0.0002818800000000, 0.0003142700000000, 0.0003379200000000 ] - [ -0.0008913500000000, -0.0002120100000000, -0.0003788600000000 ] - [ -0.0002109100000000, 0.0000575300000000, -0.0003940800000000 ] - [ -0.0002816500000000, 0.0003757400000000, -0.0006797300000000 ] - [ -0.0007094600000000, 0.0003434500000000, -0.0007342000000000 ] - [ 0.0006647400000000, 0.0040590700000000, 0.0021678700000000 ] - [ -0.0000666700000000, 0.0006110500000000, 0.0010811200000000 ] - [ 0.0001483800000000, 0.0003180200000000, -0.0002057300000000 ] - [ 0.0001302400000000, 0.0003553000000000, -0.0000766400000000 ] - [ 0.0008225500000000, -0.0000308400000000, 0.0005458500000000 ] - [ 0.0003472900000000, -0.0001247300000000, 0.0007759500000000 ] - [ 0.0005786800000000, -0.0003184500000000, -0.0003235200000000 ] - [ 0.0006884300000000, -0.0003081600000000, -0.0002663000000000 ] - [ -0.0068400300000000, -0.0084194300000000, -0.0161617400000000 ] - [ 0.0004199900000000, -0.0001815100000000, -0.0000027200000000 ] - [ 0.0001519500000000, -0.0001278700000000, -0.0010954400000000 ] - [ -0.0000274000000000, -0.0001416300000000, -0.0007889600000000 ] - [ 0.0001675300000000, -0.0001560200000000, -0.0009296400000000 ] - [ -0.0007576800000000, 0.0000364200000000, -0.0008844800000000 ] - [ -0.0010484600000000, -0.0001531300000000, -0.0012956800000000 ] - [ 0.0002210400000000, -0.0000902400000000, -0.0004540200000000 ] - [ 0.0001064800000000, 0.0000836500000000, -0.0003108500000000 ] - [ 0.0000167400000000, -0.0002043200000000, 0.0000923900000000 ] - [ 0.0001089700000000, -0.0011919100000000, -0.0001565600000000 ] - [ 0.0002464500000000, -0.0004767600000000, 0.0004157800000000 ] - [ 0.0002513100000000, -0.0002108100000000, -0.0003109600000000 ] - [ 0.0012028100000000, -0.0002449300000000, -0.0000825600000000 ] - [ 0.0010781500000000, -0.0007630900000000, -0.0001597300000000 ] - [ 0.0000889800000000, -0.0009240400000000, -0.0005008700000000 ] - [ 0.0015459200000000, -0.0001161100000000, 0.0017847000000000 ] - [ 0.0009461500000000, 0.0004009700000000, 0.0010595200000000 ] - [ 0.0005724600000000, 0.0006403800000000, -0.0002371000000000 ] - [ 0.0005878800000000, 0.0006267500000000, -0.0002271600000000 ] - [ 0.0007760800000000, 0.0003935800000000, -0.0004455400000000 ] - [ 0.0005338300000000, 0.0003615300000000, -0.0003619800000000 ] - [ -0.0026742400000000, -0.0021923100000000, -0.0017514800000000 ] - [ 0.0013821300000000, 0.0001546300000000, 0.0004397500000000 ] - [ -0.0011476900000000, -0.0043649300000000, 0.0037831000000000 ] - [ 0.0000689200000000, 0.0002804100000000, 0.0006666400000000 ] - [ -0.0001051100000000, 0.0003047500000000, -0.0009945600000000 ] - [ -0.0001442500000000, 0.0002928700000000, -0.0008742700000000 ] - [ -0.0117629200000000, 0.0049000700000000, 0.0018289900000000 ] - [ 0.0016834400000000, 0.0003238500000000, 0.0016654600000000 ] - [ 0.0001492600000000, 0.0000324500000000, -0.0002545000000000 ] - [ 0.0000737600000000, 0.0000478000000000, -0.0002375100000000 ] - [ -0.0000032000000000, -0.0001210100000000, 0.0007387200000000 ] - [ -0.0001777200000000, -0.0001532600000000, 0.0004192900000000 ] - [ -0.0002480700000000, 0.0000965800000000, -0.0006981700000000 ] - [ -0.0002419300000000, 0.0000787900000000, -0.0006483300000000 ] - [ -0.0006031100000000, -0.0005734900000000, -0.0005210600000000 ] - [ -0.0009510000000000, -0.0005368300000000, -0.0005990900000000 ] - [ -0.0030033400000000, 0.0016771000000000, -0.0015907100000000 ] - [ -0.0003765200000000, -0.0003503600000000, -0.0001633700000000 ] - [ -0.0000211400000000, -0.0002496200000000, -0.0002106300000000 ] - [ -0.0000187300000000, -0.0000912000000000, -0.0000199600000000 ] - [ 0.0000345300000000, 0.0001032800000000, -0.0002077400000000 ] - [ -0.0001188900000000, 0.0000037800000000, -0.0000202500000000 ] - [ -0.0001148600000000, -0.0011439500000000, -0.0015785000000000 ] - [ -0.0000753200000000, -0.0004219700000000, -0.0006293400000000 ] - [ 0.0005934800000000, 0.0005332600000000, -0.0013678000000000 ] - [ -0.0003787700000000, -0.0002149700000000, -0.0005550700000000 ] - [ 0.0112597700000000, 0.0053503500000000, 0.0001823500000000 ] - [ -0.0021609100000000, -0.0003542800000000, 0.0018738700000000 ] - [ -0.0005134000000000, -0.0002450400000000, -0.0008444000000000 ] - [ -0.0004335500000000, -0.0002397800000000, -0.0007892300000000 ] - [ -0.0004726700000000, -0.0004458700000000, 0.0017365100000000 ] - [ -0.0000238000000000, -0.0001924800000000, 0.0009363100000000 ] - [ 0.0000759000000000, -0.0001234300000000, -0.0003802800000000 ] - [ 0.0000228100000000, -0.0001337300000000, -0.0002590800000000 ] - [ 0.0000420500000000, 0.0000903800000000, -0.0011202900000000 ] - [ -0.0000730500000000, 0.0000167900000000, -0.0005232100000000 ] - [ 0.0001264100000000, -0.0012007800000000, -0.0047174600000000 ] - [ -0.0000194900000000, -0.0001469800000000, 0.0000143800000000 ]- atom: 61 displacement: [ 0.0099999598693730, 0.0000000000000000, -0.0000283303887883 ] forces: - [ 0.0054676100000000, 0.0006604600000000, 0.0002285200000000 ] - [ -0.0030299400000000, -0.0010807600000000, 0.0015809700000000 ] - [ -0.0000974600000000, -0.0005914900000000, -0.0000366500000000 ] - [ -0.0006226200000000, -0.0006621300000000, -0.0003833300000000 ] - [ -0.0000830300000000, 0.0006908500000000, -0.0003187000000000 ] - [ -0.0006033300000000, 0.0006103200000000, -0.0000095700000000 ] - [ 0.0016448500000000, 0.0018028500000000, 0.0013342700000000 ] - [ -0.0021707600000000, -0.0002990500000000, -0.0008411000000000 ] - [ -0.0004962200000000, -0.0020268900000000, 0.0007105600000000 ] - [ -0.0001421300000000, 0.0006585700000000, -0.0010136200000000 ] - [ 0.0003060300000000, -0.0006491300000000, -0.0002769100000000 ] - [ 0.0003920500000000, -0.0005896300000000, -0.0000304800000000 ] - [ -0.0006081500000000, -0.0016549400000000, -0.0023903100000000 ] - [ 0.0005137500000000, 0.0018773200000000, 0.0017487700000000 ] - [ 0.0002258900000000, 0.0005715500000000, 0.0001776400000000 ] - [ 0.0004156400000000, 0.0007646900000000, -0.0004046300000000 ] - [ 0.0003305000000000, -0.0001858400000000, -0.0009460800000000 ] - [ 0.0006551000000000, -0.0004867500000000, -0.0004575500000000 ] - [ 0.0003792500000000, -0.0003246500000000, -0.0007039700000000 ] - [ 0.0006394000000000, -0.0004688200000000, -0.0009482200000000 ] - [ -0.0030278600000000, 0.0009817600000000, 0.0007714400000000 ] - [ 0.0206705400000000, -0.0001691200000000, 0.0036554700000000 ] - [ 0.0004700800000000, 0.0003394900000000, -0.0008836600000000 ] - [ 0.0005443700000000, 0.0003548300000000, -0.0007864700000000 ] - [ -0.0001781300000000, -0.0003929000000000, 0.0005354300000000 ] - [ -0.0007939100000000, -0.0003302300000000, 0.0007931400000000 ] - [ 0.0005926800000000, -0.0001030600000000, 0.0018428700000000 ] - [ -0.0011727600000000, -0.0001772700000000, 0.0003964600000000 ] - [ 0.0001996600000000, 0.0000445700000000, 0.0008080300000000 ] - [ -0.0010529200000000, 0.0003548800000000, 0.0009437200000000 ] - [ -0.0004602400000000, 0.0003369500000000, 0.0007286200000000 ] - [ -0.0005644400000000, 0.0003468400000000, 0.0006739500000000 ] - [ -0.0014249900000000, 0.0016030700000000, 0.0000901100000000 ] - [ 0.0013027700000000, -0.0035717300000000, 0.0009440500000000 ] - [ 0.0001156100000000, -0.0003051000000000, -0.0001308700000000 ] - [ 0.0003014800000000, -0.0003385900000000, -0.0001759900000000 ] - [ 0.0003883900000000, 0.0001883100000000, -0.0002226200000000 ] - [ -0.0008534400000000, 0.0002657100000000, 0.0000492400000000 ] - [ 0.0004602800000000, -0.0000105000000000, 0.0000327700000000 ] - [ -0.0008125100000000, 0.0002678300000000, -0.0002289000000000 ] - [ 0.0274972900000000, 0.0166787300000000, 0.0026698200000000 ] - [ -0.0051390500000000, 0.0008637800000000, -0.0000760300000000 ] - [ -0.0000539900000000, -0.0002808600000000, -0.0002028000000000 ] - [ -0.0003837700000000, -0.0002782600000000, -0.0002004800000000 ] - [ -0.0004986200000000, 0.0003589400000000, -0.0010759600000000 ] - [ 0.0003719400000000, 0.0003733400000000, 0.0012654800000000 ] - [ -0.0007892200000000, 0.0005303600000000, 0.0012903800000000 ] - [ 0.0011731900000000, 0.0002810800000000, -0.0027591300000000 ] - [ -0.0001544200000000, 0.0008869900000000, 0.0000836300000000 ] - [ -0.0010653700000000, 0.0003774500000000, -0.0003690000000000 ] - [ -0.0004945300000000, 0.0005892600000000, -0.0001817600000000 ] - [ -0.0008947600000000, 0.0004898500000000, -0.0001667800000000 ] - [ -0.0000826300000000, 0.0000167100000000, 0.0002473100000000 ] - [ 0.0000344600000000, 0.0000592600000000, 0.0000495000000000 ] - [ -0.0001476000000000, 0.0000826400000000, -0.0000741500000000 ] - [ 0.0001450600000000, 0.0000695600000000, 0.0004077900000000 ] - [ 0.0000315000000000, 0.0001536400000000, 0.0007491600000000 ] - [ 0.0002570600000000, -0.0000639900000000, -0.0005114600000000 ] - [ -0.0000915400000000, 0.0000028200000000, -0.0004667800000000 ] - [ 0.0002488400000000, -0.0001225500000000, 0.0004706400000000 ] - [ -0.0778597900000000, -0.0257084000000000, -0.0169066100000000 ] - [ 0.0021257900000000, 0.0000205700000000, 0.0003060100000000 ] - [ 0.0001232200000000, -0.0000755700000000, 0.0002898400000000 ] - [ 0.0002551900000000, -0.0000718200000000, 0.0003248400000000 ] - [ 0.0002663000000000, -0.0004244500000000, 0.0004373300000000 ] - [ -0.0000025800000000, 0.0006374700000000, -0.0004547100000000 ] - [ 0.0000101700000000, 0.0001513000000000, 0.0002448000000000 ] - [ -0.0000421600000000, 0.0001935100000000, 0.0003989500000000 ] - [ 0.0018865300000000, 0.0074780900000000, -0.0062152700000000 ] - [ 0.0011698700000000, -0.0002988400000000, -0.0000279200000000 ] - [ -0.0000632100000000, 0.0001570900000000, -0.0001038800000000 ] - [ 0.0000606800000000, 0.0001507900000000, -0.0001986900000000 ] - [ -0.0049095700000000, 0.0009183000000000, -0.0000297100000000 ] - [ 0.0010531300000000, 0.0000313300000000, -0.0005933100000000 ] - [ -0.0006834100000000, 0.0002599600000000, -0.0001333700000000 ] - [ -0.0004522400000000, 0.0002487700000000, -0.0001387000000000 ] - [ 0.0004554400000000, 0.0000989800000000, 0.0011035400000000 ] - [ 0.0002365000000000, 0.0004889300000000, 0.0000477700000000 ] - [ 0.0001174800000000, 0.0001382200000000, 0.0000911200000000 ] - [ 0.0001813900000000, 0.0006773200000000, 0.0009754900000000 ] - [ 0.0015443800000000, -0.0005762900000000, 0.0007282700000000 ] - [ 0.0000087500000000, -0.0000039500000000, -0.0019160000000000 ] - [ 0.0007180900000000, -0.0003096000000000, 0.0001447800000000 ] - [ 0.0003889700000000, -0.0002357500000000, 0.0004935600000000 ] - [ -0.0003290400000000, 0.0000296900000000, -0.0000528500000000 ] - [ 0.0002866400000000, -0.0001708700000000, -0.0004851400000000 ] - [ -0.0000702600000000, -0.0000861200000000, -0.0003076200000000 ] - [ 0.0000718300000000, -0.0001615000000000, -0.0000961500000000 ] - [ 0.0002076200000000, 0.0000025200000000, -0.0002516500000000 ] - [ -0.0005276300000000, -0.0001267600000000, -0.0005026100000000 ] - [ -0.0001341700000000, -0.0000546100000000, -0.0001854700000000 ] - [ -0.0002153500000000, -0.0000542100000000, -0.0001942900000000 ] - [ 0.0027799000000000, -0.0038227300000000, 0.0004230500000000 ] - [ 0.0030024200000000, 0.0032726000000000, 0.0000409700000000 ] - [ 0.0001309000000000, -0.0003344500000000, 0.0004632800000000 ] - [ 0.0001155700000000, -0.0003051800000000, 0.0004546400000000 ] - [ -0.0012802700000000, -0.0000499400000000, -0.0007467800000000 ] - [ 0.0018179900000000, -0.0004021100000000, 0.0003548000000000 ] - [ 0.0006303200000000, -0.0005182700000000, 0.0002459000000000 ] - [ 0.0007899200000000, -0.0004741200000000, 0.0002876800000000 ] - [ 0.0002593500000000, 0.0006051700000000, 0.0000048400000000 ] - [ 0.0010449800000000, 0.0004314000000000, 0.0004052500000000 ] - [ -0.0004218300000000, 0.0007525300000000, 0.0004980400000000 ] - [ 0.0015269000000000, 0.0003172800000000, 0.0003012000000000 ] - [ 0.0013145000000000, 0.0000191200000000, -0.0002943600000000 ] - [ -0.0000526600000000, 0.0010390500000000, 0.0005792000000000 ] - [ 0.0006102900000000, 0.0002528600000000, 0.0002974100000000 ] - [ 0.0004859400000000, 0.0002672600000000, 0.0002499500000000 ] - [ -0.0003753700000000, 0.0004995100000000, -0.0001155400000000 ] - [ 0.0000578100000000, 0.0002575900000000, -0.0004952600000000 ] - [ -0.0003237800000000, 0.0006983100000000, -0.0008904100000000 ] - [ 0.0000791300000000, 0.0001970200000000, -0.0001453500000000 ] - [ -0.0000718300000000, 0.0000301300000000, 0.0002481000000000 ] - [ 0.0004161800000000, 0.0000791800000000, 0.0002609100000000 ] - [ -0.0000720100000000, 0.0001102700000000, 0.0002133700000000 ] - [ 0.0004171600000000, 0.0001346800000000, 0.0003617900000000 ] - [ 0.0001294800000000, 0.0000879700000000, 0.0000627600000000 ] - [ -0.0004233700000000, -0.0000778500000000, -0.0004710400000000 ] - [ 0.0002178300000000, 0.0001148800000000, -0.0004536200000000 ] - [ -0.0006486100000000, -0.0002516200000000, 0.0002505900000000 ] - [ 0.0008710000000000, -0.0002173000000000, -0.0004482300000000 ] - [ -0.0011543400000000, -0.0129320100000000, 0.0021022500000000 ] - [ -0.0006158900000000, -0.0005414600000000, -0.0001199900000000 ] - [ -0.0007464000000000, -0.0005237000000000, -0.0001708500000000 ] - [ 0.0226003300000000, 0.0118132700000000, 0.0123833300000000 ] - [ 0.0040871700000000, -0.0018804000000000, -0.0013054700000000 ] - [ -0.0000526500000000, -0.0000435400000000, 0.0001427900000000 ] - [ 0.0000139300000000, -0.0000527900000000, 0.0002194000000000 ] - [ -0.0009396800000000, 0.0013978200000000, -0.0003103900000000 ] - [ 0.0005773600000000, -0.0007562100000000, -0.0005646100000000 ] - [ -0.0001657000000000, -0.0003322500000000, -0.0003364700000000 ] - [ -0.0000904000000000, -0.0003287800000000, -0.0003063300000000 ] - [ -0.0006931500000000, -0.0002583800000000, -0.0001358600000000 ] - [ -0.0004459500000000, -0.0002583100000000, -0.0001421900000000 ] - [ -0.0011812300000000, -0.0002080600000000, -0.0000515300000000 ] - [ -0.0000186600000000, -0.0002111900000000, -0.0002926400000000 ] - [ 0.0000026500000000, -0.0001730800000000, 0.0005585700000000 ] - [ -0.0000135600000000, -0.0001481800000000, 0.0001198100000000 ] - [ 0.0007904300000000, -0.0004929800000000, -0.0014088500000000 ] - [ 0.0011638600000000, 0.0003809200000000, 0.0033777000000000 ] - [ -0.0002766900000000, -0.0002872700000000, -0.0002929100000000 ] - [ 0.0004030800000000, 0.0004930100000000, -0.0001075200000000 ] - [ 0.0000228700000000, -0.0000374900000000, -0.0000470900000000 ] - [ 0.0000413200000000, -0.0000272900000000, -0.0000524400000000 ]- atom: 61 displacement: [ -0.0099999598693730, 0.0000000000000000, 0.0000283303887883 ] forces: - [ -0.0062212100000000, -0.0018269700000000, -0.0003205000000000 ] - [ 0.0023087600000000, -0.0001534300000000, -0.0015535900000000 ] - [ -0.0006160900000000, -0.0006372800000000, 0.0000456200000000 ] - [ -0.0000910200000000, -0.0005670500000000, 0.0003898200000000 ] - [ -0.0006304600000000, 0.0005377200000000, 0.0003268500000000 ] - [ -0.0001093300000000, 0.0006176400000000, 0.0000198800000000 ] - [ -0.0023635400000000, -0.0005666400000000, -0.0013195900000000 ] - [ 0.0014500300000000, 0.0015171900000000, 0.0008406100000000 ] - [ 0.0011990900000000, 0.0007934200000000, -0.0007195500000000 ] - [ 0.0008691900000000, -0.0018973300000000, 0.0010119100000000 ] - [ 0.0004052900000000, -0.0005799800000000, 0.0002667700000000 ] - [ 0.0003213400000000, -0.0006399000000000, 0.0000203900000000 ] - [ 0.0013042200000000, 0.0028934800000000, 0.0023887300000000 ] - [ 0.0002253100000000, -0.0006432500000000, -0.0017573400000000 ] - [ 0.0004852200000000, 0.0006575400000000, -0.0001867300000000 ] - [ 0.0002982600000000, 0.0004648800000000, 0.0003949100000000 ] - [ 0.0006897300000000, -0.0005091500000000, -0.0005702000000000 ] - [ 0.0003686500000000, -0.0002094400000000, -0.0010560800000000 ] - [ 0.0006412500000000, -0.0003703400000000, -0.0008097200000000 ] - [ 0.0003834600000000, -0.0002270900000000, -0.0005669000000000 ] - [ 0.0040546900000000, -0.0002873900000000, -0.0022950700000000 ] - [ -0.0181532100000000, 0.0008455900000000, -0.0047049700000000 ] - [ 0.0005517700000000, 0.0003552600000000, -0.0006323900000000 ] - [ 0.0004778900000000, 0.0003395200000000, -0.0007280300000000 ] - [ -0.0008449900000000, -0.0003010000000000, 0.0009756300000000 ] - [ -0.0002290500000000, -0.0003636500000000, 0.0007219100000000 ] - [ -0.0016166900000000, -0.0005918300000000, -0.0003168600000000 ] - [ 0.0001473100000000, -0.0005147500000000, 0.0011152700000000 ] - [ -0.0012234800000000, 0.0006453200000000, 0.0007073300000000 ] - [ 0.0000291300000000, 0.0003386300000000, 0.0005735100000000 ] - [ -0.0005624200000000, 0.0003571400000000, 0.0007848300000000 ] - [ -0.0004584700000000, 0.0003471800000000, 0.0008401300000000 ] - [ 0.0018467900000000, -0.0022149000000000, -0.0000372700000000 ] - [ -0.0008526400000000, 0.0029397400000000, -0.0008847800000000 ] - [ 0.0003120400000000, -0.0002971100000000, 0.0001810700000000 ] - [ 0.0001272700000000, -0.0002637500000000, 0.0002258700000000 ] - [ -0.0008190200000000, 0.0004094200000000, 0.0001668800000000 ] - [ 0.0004254200000000, 0.0003351000000000, -0.0000988000000000 ] - [ -0.0008891900000000, 0.0006093400000000, -0.0000806800000000 ] - [ 0.0003831500000000, 0.0003321700000000, 0.0001771400000000 ] - [ -0.0279056400000000, -0.0178561500000000, -0.0027651600000000 ] - [ 0.0046973600000000, -0.0014445400000000, 0.0000192700000000 ] - [ -0.0003749500000000, -0.0003205900000000, 0.0001511100000000 ] - [ -0.0000455000000000, -0.0003230500000000, 0.0001488800000000 ] - [ 0.0009207700000000, 0.0002426400000000, 0.0011297800000000 ] - [ 0.0000619000000000, 0.0002315600000000, -0.0012159900000000 ] - [ 0.0012120900000000, 0.0000732800000000, -0.0012418100000000 ] - [ -0.0007304200000000, 0.0003236400000000, 0.0027946800000000 ] - [ -0.0012340900000000, 0.0001493000000000, -0.0004904500000000 ] - [ -0.0003240900000000, 0.0006624200000000, -0.0000345600000000 ] - [ -0.0008925000000000, 0.0004486600000000, -0.0002238200000000 ] - [ -0.0004938900000000, 0.0005478000000000, -0.0002399200000000 ] - [ 0.0000307600000000, 0.0000551200000000, -0.0000214100000000 ] - [ -0.0000875600000000, 0.0000125000000000, 0.0001755800000000 ] - [ 0.0000959300000000, -0.0000104900000000, 0.0002989100000000 ] - [ -0.0001986100000000, 0.0000045900000000, -0.0001829200000000 ] - [ 0.0000255700000000, -0.0000826700000000, -0.0009728800000000 ] - [ -0.0002087000000000, 0.0001340800000000, 0.0002831900000000 ] - [ 0.0001436900000000, 0.0000674800000000, 0.0002403700000000 ] - [ -0.0001975100000000, 0.0001921700000000, -0.0006922400000000 ] - [ 0.0773011900000000, 0.0263365300000000, 0.0172533400000000 ] - [ -0.0017609000000000, -0.0001487500000000, 0.0001814000000000 ] - [ 0.0002382100000000, -0.0000526500000000, 0.0001964500000000 ] - [ 0.0001065900000000, -0.0000564900000000, 0.0001614200000000 ] - [ -0.0002779300000000, 0.0007329100000000, 0.0000325300000000 ] - [ -0.0000163000000000, -0.0003231800000000, 0.0009229200000000 ] - [ -0.0000254400000000, 0.0001577000000000, 0.0002281000000000 ] - [ 0.0000265100000000, 0.0001157200000000, 0.0000746300000000 ] - [ -0.0018438700000000, -0.0072082000000000, 0.0057713400000000 ] - [ -0.0011550800000000, 0.0006000400000000, -0.0004409000000000 ] - [ 0.0000776800000000, 0.0001516400000000, -0.0003686400000000 ] - [ -0.0000463300000000, 0.0001579200000000, -0.0002741400000000 ] - [ 0.0037949600000000, -0.0003025500000000, -0.0002918300000000 ] - [ -0.0021677200000000, 0.0004939300000000, 0.0001838300000000 ] - [ -0.0004340300000000, 0.0002704900000000, -0.0002716400000000 ] - [ -0.0006647600000000, 0.0002816100000000, -0.0002655600000000 ] - [ -0.0002012600000000, 0.0005495600000000, -0.0003349600000000 ] - [ 0.0000141800000000, 0.0001591500000000, 0.0007181400000000 ] - [ 0.0001359200000000, 0.0005108300000000, 0.0006762200000000 ] - [ 0.0000700000000000, -0.0000262400000000, -0.0002039700000000 ] - [ -0.0004248500000000, 0.0000468500000000, -0.0003282600000000 ] - [ 0.0010973600000000, -0.0005294100000000, 0.0023156000000000 ] - [ 0.0003990900000000, -0.0002215900000000, 0.0002604800000000 ] - [ 0.0007258300000000, -0.0002954300000000, -0.0000886800000000 ] - [ 0.0003457600000000, -0.0003365300000000, -0.0004180100000000 ] - [ -0.0002732300000000, -0.0001370200000000, 0.0000112200000000 ] - [ 0.0000847700000000, -0.0002224500000000, -0.0001659000000000 ] - [ -0.0000574100000000, -0.0001472600000000, -0.0003763800000000 ] - [ -0.0005680300000000, -0.0001286900000000, -0.0002342300000000 ] - [ 0.0001611500000000, 0.0000050300000000, 0.0000152800000000 ] - [ -0.0002280300000000, -0.0000728600000000, -0.0003005500000000 ] - [ -0.0001473200000000, -0.0000731000000000, -0.0002916900000000 ] - [ -0.0025571300000000, 0.0032107000000000, 0.0003389000000000 ] - [ -0.0027138500000000, -0.0038760600000000, 0.0007244900000000 ] - [ 0.0001212400000000, -0.0003146900000000, 0.0003041200000000 ] - [ 0.0001363200000000, -0.0003437900000000, 0.0003128900000000 ] - [ 0.0026536800000000, -0.0010002100000000, 0.0011533000000000 ] - [ -0.0004284100000000, -0.0006320800000000, 0.0000498500000000 ] - [ 0.0007561600000000, -0.0005194800000000, 0.0001597400000000 ] - [ 0.0005973000000000, -0.0005631800000000, 0.0001183100000000 ] - [ 0.0011269800000000, 0.0004316400000000, 0.0004011200000000 ] - [ 0.0003422200000000, 0.0006063900000000, -0.0000007600000000 ] - [ 0.0018014100000000, 0.0002830700000000, -0.0000975500000000 ] - [ -0.0001369600000000, 0.0007193100000000, 0.0001072900000000 ] - [ -0.0001963600000000, 0.0005136900000000, 0.0007007300000000 ] - [ 0.0011626900000000, -0.0005028500000000, -0.0001726600000000 ] - [ 0.0005063700000000, 0.0002776100000000, 0.0001073400000000 ] - [ 0.0006300200000000, 0.0002631700000000, 0.0001552800000000 ] - [ 0.0001249500000000, 0.0001500000000000, -0.0006504300000000 ] - [ -0.0003128200000000, 0.0003913700000000, -0.0002724400000000 ] - [ 0.0000712100000000, -0.0000481200000000, 0.0001208300000000 ] - [ -0.0003328100000000, 0.0004509600000000, -0.0006219400000000 ] - [ 0.0004328200000000, 0.0000983300000000, 0.0002383400000000 ] - [ -0.0000548300000000, 0.0000489000000000, 0.0002246600000000 ] - [ 0.0004327300000000, 0.0000179600000000, 0.0002720600000000 ] - [ -0.0000547100000000, -0.0000056400000000, 0.0001250100000000 ] - [ -0.0004909600000000, 0.0000397800000000, -0.0005500800000000 ] - [ 0.0000586000000000, 0.0002036500000000, -0.0000128400000000 ] - [ -0.0005785600000000, 0.0000117600000000, -0.0000319300000000 ] - [ 0.0002815500000000, 0.0003760000000000, -0.0007379700000000 ] - [ -0.0022558100000000, -0.0008261100000000, 0.0000469200000000 ] - [ -0.0003204900000000, 0.0118996000000000, -0.0025169800000000 ] - [ -0.0007718000000000, -0.0004966000000000, -0.0002858300000000 ] - [ -0.0006415500000000, -0.0005142500000000, -0.0002347700000000 ] - [ -0.0231379700000000, -0.0121787800000000, -0.0124496000000000 ] - [ -0.0040954000000000, 0.0017806800000000, 0.0015142900000000 ] - [ 0.0000004700000000, -0.0000284700000000, 0.0000826200000000 ] - [ -0.0000661900000000, -0.0000192800000000, 0.0000062200000000 ] - [ 0.0007010000000000, -0.0020382000000000, -0.0004559900000000 ] - [ -0.0008350500000000, 0.0001013700000000, -0.0002022800000000 ] - [ -0.0000876500000000, -0.0003166200000000, -0.0004308000000000 ] - [ -0.0001629100000000, -0.0003200800000000, -0.0004607400000000 ] - [ -0.0004241400000000, -0.0002717600000000, -0.0002682200000000 ] - [ -0.0006713900000000, -0.0002720300000000, -0.0002631300000000 ] - [ 0.0000643800000000, -0.0003196600000000, -0.0003562000000000 ] - [ -0.0010980100000000, -0.0003186100000000, -0.0001122400000000 ] - [ -0.0000175600000000, -0.0001360700000000, -0.0000856300000000 ] - [ -0.0000025800000000, -0.0001615100000000, 0.0003529600000000 ] - [ -0.0008045300000000, 0.0001820900000000, 0.0018863100000000 ] - [ -0.0011755800000000, -0.0006878800000000, -0.0028759500000000 ] - [ 0.0003311300000000, 0.0002189700000000, 0.0000673000000000 ] - [ -0.0003520400000000, -0.0005566000000000, -0.0001171400000000 ] - [ 0.0000288700000000, -0.0000338000000000, -0.0001781600000000 ] - [ 0.0000101400000000, -0.0000439500000000, -0.0001728000000000 ]- atom: 61 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0023658100000000, 0.0045647700000000, 0.0032668700000000 ] - [ -0.0013607400000000, 0.0005822000000000, 0.0007928200000000 ] - [ -0.0002797700000000, -0.0004490900000000, -0.0002119600000000 ] - [ -0.0004270100000000, -0.0005122600000000, -0.0001240900000000 ] - [ -0.0003796000000000, 0.0004229200000000, 0.0004665400000000 ] - [ -0.0003782900000000, 0.0005133100000000, 0.0002023900000000 ] - [ 0.0022106700000000, -0.0028639500000000, -0.0045024200000000 ] - [ -0.0012586000000000, 0.0001053900000000, -0.0010781400000000 ] - [ -0.0010694900000000, -0.0032939900000000, 0.0007194400000000 ] - [ 0.0026095600000000, -0.0044513200000000, 0.0020004600000000 ] - [ 0.0003126200000000, -0.0007570900000000, -0.0001461600000000 ] - [ 0.0003758600000000, -0.0007370800000000, -0.0001339800000000 ] - [ -0.0014845700000000, -0.0001487900000000, -0.0021716400000000 ] - [ 0.0027351000000000, 0.0003036500000000, -0.0021262900000000 ] - [ 0.0002402900000000, 0.0007240400000000, 0.0003863100000000 ] - [ 0.0004434900000000, 0.0007439800000000, 0.0003341000000000 ] - [ 0.0006701600000000, -0.0008347600000000, -0.0004647700000000 ] - [ 0.0003785600000000, -0.0008207400000000, -0.0003164100000000 ] - [ 0.0005534000000000, -0.0005453600000000, -0.0008373600000000 ] - [ 0.0004246300000000, -0.0006241500000000, -0.0008706800000000 ] - [ 0.0005661300000000, 0.0026587300000000, -0.0003857800000000 ] - [ -0.0019067000000000, 0.0064363700000000, -0.0014471000000000 ] - [ 0.0005175800000000, 0.0004169600000000, -0.0007102500000000 ] - [ 0.0005056000000000, 0.0004140600000000, -0.0007292000000000 ] - [ -0.0005813500000000, -0.0000138000000000, 0.0004855300000000 ] - [ -0.0005206500000000, -0.0001849100000000, 0.0006933400000000 ] - [ -0.0002932700000000, 0.0008019600000000, 0.0025562800000000 ] - [ -0.0005435000000000, 0.0000400400000000, 0.0010006000000000 ] - [ -0.0002721800000000, -0.0020936000000000, 0.0006073500000000 ] - [ -0.0005297700000000, -0.0004087700000000, 0.0007199400000000 ] - [ -0.0005081000000000, 0.0002713300000000, 0.0008014700000000 ] - [ -0.0005115500000000, 0.0002878400000000, 0.0007933900000000 ] - [ 0.0016884800000000, -0.0031532200000000, -0.0001366500000000 ] - [ -0.0034605400000000, -0.0064876800000000, -0.0000666500000000 ] - [ 0.0002329500000000, -0.0004200800000000, 0.0000796000000000 ] - [ 0.0001937500000000, -0.0004257600000000, 0.0000581100000000 ] - [ -0.0002478800000000, -0.0010746600000000, -0.0005473300000000 ] - [ -0.0002652700000000, -0.0003426000000000, -0.0002052600000000 ] - [ -0.0002589900000000, -0.0011298200000000, 0.0006391700000000 ] - [ -0.0001389100000000, -0.0003276400000000, 0.0003195500000000 ] - [ 0.0141245700000000, 0.0640907800000000, 0.0034265700000000 ] - [ 0.0000038600000000, 0.0009380400000000, -0.0002524500000000 ] - [ -0.0002100700000000, -0.0001653300000000, 0.0000297000000000 ] - [ -0.0002213900000000, -0.0001884600000000, 0.0000172900000000 ] - [ 0.0005739900000000, 0.0014258700000000, 0.0003360200000000 ] - [ -0.0001750700000000, 0.0013706300000000, 0.0009870600000000 ] - [ 0.0002768900000000, 0.0012792100000000, -0.0002064800000000 ] - [ -0.0002311400000000, 0.0019099300000000, -0.0011490100000000 ] - [ -0.0004359200000000, 0.0009560700000000, 0.0000481800000000 ] - [ -0.0006600200000000, 0.0011875500000000, 0.0002138800000000 ] - [ -0.0006771100000000, 0.0006514900000000, -0.0003037000000000 ] - [ -0.0007523400000000, 0.0007222600000000, -0.0004253300000000 ] - [ -0.0000138400000000, 0.0003621300000000, 0.0001246900000000 ] - [ -0.0000149700000000, 0.0002491400000000, 0.0001036700000000 ] - [ -0.0000613000000000, 0.0008917400000000, 0.0001819800000000 ] - [ -0.0000387700000000, 0.0007392500000000, -0.0001105500000000 ] - [ -0.0000046600000000, -0.0012602500000000, -0.0002013900000000 ] - [ 0.0001724500000000, -0.0005370900000000, -0.0001353800000000 ] - [ 0.0000527800000000, -0.0003670200000000, -0.0002055600000000 ] - [ 0.0000370700000000, -0.0002712000000000, -0.0000132300000000 ] - [ -0.0248376400000000, -0.1134660100000000, -0.0037188600000000 ] - [ 0.0002644800000000, -0.0010350900000000, 0.0002153900000000 ] - [ 0.0001694900000000, -0.0001522600000000, 0.0002276100000000 ] - [ 0.0001733100000000, -0.0001306600000000, 0.0002315300000000 ] - [ -0.0006277200000000, 0.0011124400000000, -0.0000489400000000 ] - [ 0.0007399300000000, 0.0008824900000000, -0.0004380900000000 ] - [ -0.0000188700000000, 0.0002199000000000, 0.0002717100000000 ] - [ 0.0000016400000000, 0.0002198700000000, 0.0002834100000000 ] - [ 0.0070657900000000, 0.0061361000000000, -0.0075103100000000 ] - [ -0.0004855500000000, -0.0003594000000000, -0.0004949100000000 ] - [ 0.0000101200000000, 0.0000835600000000, -0.0001814500000000 ] - [ 0.0000041500000000, 0.0001040600000000, -0.0002063500000000 ] - [ -0.0001866600000000, 0.0080368400000000, 0.0109346000000000 ] - [ -0.0003871600000000, 0.0000218700000000, -0.0000221600000000 ] - [ -0.0005478000000000, 0.0001962600000000, -0.0002998100000000 ] - [ -0.0005247900000000, 0.0002103600000000, -0.0002649500000000 ] - [ -0.0005201100000000, 0.0003246500000000, -0.0006400400000000 ] - [ 0.0002987600000000, 0.0003271300000000, 0.0000746400000000 ] - [ -0.0001341500000000, 0.0001244600000000, 0.0007389500000000 ] - [ 0.0002841700000000, 0.0003645400000000, 0.0007168200000000 ] - [ 0.0003931700000000, -0.0008993600000000, 0.0001816200000000 ] - [ 0.0015287700000000, -0.0015421900000000, -0.0014646400000000 ] - [ 0.0005581300000000, -0.0004139700000000, 0.0002377300000000 ] - [ 0.0006354000000000, -0.0004835200000000, 0.0004074000000000 ] - [ -0.0000070800000000, 0.0007947600000000, 0.0000916000000000 ] - [ -0.0000623500000000, 0.0003249500000000, -0.0001591000000000 ] - [ 0.0000039500000000, 0.0000692000000000, -0.0003753600000000 ] - [ 0.0000002800000000, -0.0000427700000000, -0.0003229500000000 ] - [ -0.0002472800000000, 0.0008868700000000, -0.0001364500000000 ] - [ -0.0001121200000000, 0.0027227100000000, 0.0000816800000000 ] - [ -0.0001902200000000, 0.0000098300000000, -0.0002574300000000 ] - [ -0.0001905800000000, 0.0000153900000000, -0.0002591400000000 ] - [ -0.0035143500000000, 0.0012942800000000, 0.0002267600000000 ] - [ 0.0036998600000000, 0.0012000500000000, 0.0003586200000000 ] - [ 0.0001073700000000, -0.0003291200000000, 0.0003503500000000 ] - [ 0.0001308900000000, -0.0003308900000000, 0.0003696100000000 ] - [ 0.0018112600000000, 0.0061602600000000, -0.0019754400000000 ] - [ 0.0004784800000000, -0.0002115500000000, 0.0000730800000000 ] - [ 0.0006975700000000, -0.0004877300000000, 0.0002105500000000 ] - [ 0.0006927800000000, -0.0004923900000000, 0.0001979300000000 ] - [ 0.0007126400000000, 0.0003339700000000, -0.0001346300000000 ] - [ 0.0006241500000000, 0.0003852700000000, 0.0001226700000000 ] - [ 0.0010219100000000, -0.0002463300000000, 0.0016660200000000 ] - [ 0.0008084600000000, 0.0002358800000000, 0.0003657300000000 ] - [ 0.0001733200000000, 0.0008077100000000, 0.0005588400000000 ] - [ 0.0014618300000000, 0.0021712700000000, 0.0010365000000000 ] - [ 0.0005534300000000, 0.0003230700000000, 0.0001325800000000 ] - [ 0.0006026500000000, 0.0003288900000000, 0.0001290600000000 ] - [ -0.0000696000000000, 0.0005480100000000, 0.0000607800000000 ] - [ -0.0002544800000000, 0.0004542500000000, -0.0001274900000000 ] - [ -0.0000762400000000, 0.0008628000000000, -0.0011763100000000 ] - [ -0.0002713400000000, 0.0003846000000000, -0.0007143300000000 ] - [ 0.0001339600000000, 0.0006759300000000, -0.0000669000000000 ] - [ 0.0001107900000000, 0.0003482800000000, 0.0001574700000000 ] - [ 0.0002162800000000, 0.0006757100000000, 0.0005035900000000 ] - [ 0.0001662200000000, 0.0003478800000000, 0.0003265700000000 ] - [ -0.0001564000000000, -0.0002659200000000, -0.0000786100000000 ] - [ -0.0003207700000000, -0.0005514000000000, 0.0000019300000000 ] - [ -0.0001298600000000, -0.0003051800000000, -0.0004147600000000 ] - [ -0.0004965000000000, -0.0007927100000000, -0.0007657700000000 ] - [ -0.0000320000000000, -0.0005652700000000, -0.0001916800000000 ] - [ -0.0119786200000000, 0.0228246100000000, -0.0062804300000000 ] - [ -0.0006888000000000, -0.0005443000000000, -0.0002055700000000 ] - [ -0.0006976000000000, -0.0005437300000000, -0.0002026500000000 ] - [ 0.0110924100000000, -0.0012381700000000, 0.0051845300000000 ] - [ -0.0008305100000000, -0.0014089800000000, 0.0003576400000000 ] - [ -0.0000291400000000, -0.0001209100000000, 0.0000812700000000 ] - [ -0.0000222300000000, -0.0001137600000000, 0.0000966100000000 ] - [ 0.0017779300000000, 0.0024830000000000, 0.0001555900000000 ] - [ -0.0007289400000000, -0.0000141900000000, -0.0001676000000000 ] - [ -0.0001316800000000, -0.0003131900000000, -0.0004153800000000 ] - [ -0.0001354400000000, -0.0003184900000000, -0.0004113900000000 ] - [ -0.0005537400000000, -0.0000773800000000, -0.0001164500000000 ] - [ -0.0005522300000000, -0.0001563500000000, -0.0001460700000000 ] - [ -0.0003354300000000, 0.0008533000000000, -0.0007814700000000 ] - [ -0.0004963800000000, 0.0001178200000000, -0.0004043800000000 ] - [ -0.0000343400000000, -0.0003488000000000, 0.0001160500000000 ] - [ 0.0000178400000000, -0.0002977900000000, 0.0001585300000000 ] - [ -0.0004121900000000, -0.0013026200000000, 0.0006118600000000 ] - [ 0.0005859500000000, -0.0010967400000000, 0.0011926000000000 ] - [ -0.0003044000000000, 0.0014979000000000, 0.0000656200000000 ] - [ 0.0003804800000000, 0.0012408900000000, 0.0001098500000000 ] - [ 0.0000185200000000, 0.0000511600000000, -0.0001451500000000 ] - [ 0.0000318400000000, 0.0000329300000000, -0.0001271800000000 ]- atom: 61 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0031221500000000, -0.0057104100000000, -0.0033322800000000 ] - [ 0.0006523000000000, -0.0017966800000000, -0.0007846000000000 ] - [ -0.0004344000000000, -0.0007777000000000, 0.0002211500000000 ] - [ -0.0002854100000000, -0.0007147200000000, 0.0001340400000000 ] - [ -0.0003339500000000, 0.0008070500000000, -0.0004565100000000 ] - [ -0.0003341300000000, 0.0007161700000000, -0.0001933500000000 ] - [ -0.0029075700000000, 0.0040950200000000, 0.0044788300000000 ] - [ 0.0005438900000000, 0.0011338400000000, 0.0010835500000000 ] - [ 0.0017872200000000, 0.0020586200000000, -0.0007287100000000 ] - [ -0.0019107700000000, 0.0032244200000000, -0.0020217000000000 ] - [ 0.0004006900000000, -0.0004719800000000, 0.0001369400000000 ] - [ 0.0003364200000000, -0.0004922200000000, 0.0001250200000000 ] - [ 0.0021987300000000, 0.0013637400000000, 0.0021539500000000 ] - [ -0.0020253000000000, 0.0009089900000000, 0.0021142900000000 ] - [ 0.0004728100000000, 0.0005027200000000, -0.0003960900000000 ] - [ 0.0002696200000000, 0.0004815200000000, -0.0003430700000000 ] - [ 0.0003525600000000, 0.0001402000000000, -0.0010470800000000 ] - [ 0.0006418300000000, 0.0001269200000000, -0.0011943000000000 ] - [ 0.0004693900000000, -0.0001483500000000, -0.0006783100000000 ] - [ 0.0005965800000000, -0.0000685100000000, -0.0006451500000000 ] - [ 0.0004433400000000, -0.0019552200000000, -0.0011223900000000 ] - [ 0.0028490100000000, -0.0056998300000000, -0.0000855600000000 ] - [ 0.0005048500000000, 0.0002777800000000, -0.0008046800000000 ] - [ 0.0005163700000000, 0.0002802800000000, -0.0007851500000000 ] - [ -0.0004419800000000, -0.0006813000000000, 0.0010291100000000 ] - [ -0.0005019300000000, -0.0005097000000000, 0.0008199600000000 ] - [ -0.0007342600000000, -0.0015035400000000, -0.0010340500000000 ] - [ -0.0004782500000000, -0.0007366500000000, 0.0005158900000000 ] - [ -0.0007449700000000, 0.0027806400000000, 0.0009098200000000 ] - [ -0.0004942800000000, 0.0011018200000000, 0.0007958600000000 ] - [ -0.0005146900000000, 0.0004234000000000, 0.0007124800000000 ] - [ -0.0005110400000000, 0.0004067200000000, 0.0007204100000000 ] - [ -0.0012490300000000, 0.0025487500000000, 0.0001901400000000 ] - [ 0.0038453600000000, 0.0058736900000000, 0.0001166000000000 ] - [ 0.0001960000000000, -0.0001811000000000, -0.0000292500000000 ] - [ 0.0002343600000000, -0.0001752300000000, -0.0000077000000000 ] - [ -0.0001805600000000, 0.0016736400000000, 0.0005009500000000 ] - [ -0.0001645800000000, 0.0009425000000000, 0.0001554800000000 ] - [ -0.0001688400000000, 0.0017283000000000, -0.0006968900000000 ] - [ -0.0002921800000000, 0.0009280300000000, -0.0003740600000000 ] - [ -0.0166215500000000, -0.0697247800000000, -0.0039948500000000 ] - [ -0.0004250500000000, -0.0015544600000000, 0.0002080500000000 ] - [ -0.0002190100000000, -0.0004366100000000, -0.0000808500000000 ] - [ -0.0002072700000000, -0.0004134400000000, -0.0000686600000000 ] - [ -0.0001440200000000, -0.0008202000000000, -0.0002868100000000 ] - [ 0.0006055000000000, -0.0007678100000000, -0.0009477500000000 ] - [ 0.0001512400000000, -0.0006749000000000, 0.0002612200000000 ] - [ 0.0006597000000000, -0.0013038900000000, 0.0012174400000000 ] - [ -0.0009508400000000, 0.0000840000000000, -0.0004531800000000 ] - [ -0.0007261800000000, -0.0001477200000000, -0.0006203000000000 ] - [ -0.0007107200000000, 0.0003869000000000, -0.0001012000000000 ] - [ -0.0006347700000000, 0.0003170400000000, 0.0000216100000000 ] - [ -0.0000386600000000, -0.0002898800000000, 0.0000996900000000 ] - [ -0.0000364500000000, -0.0001771600000000, 0.0001212300000000 ] - [ 0.0000077900000000, -0.0008173000000000, 0.0000461600000000 ] - [ -0.0000107300000000, -0.0006690900000000, 0.0003403100000000 ] - [ 0.0000558900000000, 0.0013288800000000, -0.0000226700000000 ] - [ -0.0001227500000000, 0.0006094600000000, -0.0000877900000000 ] - [ -0.0000010300000000, 0.0004390200000000, -0.0000212700000000 ] - [ 0.0000128200000000, 0.0003440000000000, -0.0002152800000000 ] - [ 0.0272720300000000, 0.1186256600000000, 0.0048223500000000 ] - [ 0.0000949000000000, 0.0009037700000000, 0.0002692600000000 ] - [ 0.0001923400000000, 0.0000243100000000, 0.0002586800000000 ] - [ 0.0001884000000000, 0.0000026200000000, 0.0002546400000000 ] - [ 0.0006099300000000, -0.0008040500000000, 0.0005186400000000 ] - [ -0.0007467500000000, -0.0005753200000000, 0.0009060400000000 ] - [ 0.0000032500000000, 0.0000891000000000, 0.0002020900000000 ] - [ -0.0000168500000000, 0.0000889300000000, 0.0001901100000000 ] - [ -0.0071212100000000, -0.0058566700000000, 0.0071064300000000 ] - [ 0.0005011600000000, 0.0006755200000000, 0.0000191500000000 ] - [ 0.0000049000000000, 0.0002259700000000, -0.0002916400000000 ] - [ 0.0000108900000000, 0.0002055200000000, -0.0002663800000000 ] - [ -0.0009409500000000, -0.0075690700000000, -0.0114752000000000 ] - [ -0.0007314800000000, 0.0005126300000000, -0.0003803400000000 ] - [ -0.0005690000000000, 0.0003350200000000, -0.0001050800000000 ] - [ -0.0005924500000000, 0.0003209100000000, -0.0001393000000000 ] - [ 0.0007705100000000, 0.0003234500000000, 0.0014047100000000 ] - [ -0.0000477000000000, 0.0003176900000000, 0.0006937000000000 ] - [ 0.0003847800000000, 0.0005207100000000, 0.0000296500000000 ] - [ -0.0000324200000000, 0.0002795000000000, 0.0000485800000000 ] - [ 0.0007227100000000, 0.0003660500000000, 0.0002250500000000 ] - [ -0.0004161400000000, 0.0010033200000000, 0.0018871700000000 ] - [ 0.0005581000000000, -0.0001171100000000, 0.0001665700000000 ] - [ 0.0004813200000000, -0.0000476000000000, -0.0000045400000000 ] - [ 0.0000202200000000, -0.0011007900000000, -0.0005681100000000 ] - [ 0.0000779900000000, -0.0006320000000000, -0.0003155800000000 ] - [ 0.0000106500000000, -0.0003772900000000, -0.0000964600000000 ] - [ 0.0000148300000000, -0.0002656100000000, -0.0001489600000000 ] - [ -0.0001169400000000, -0.0010122500000000, -0.0003505200000000 ] - [ -0.0002455400000000, -0.0028440700000000, -0.0005678300000000 ] - [ -0.0001720700000000, -0.0001372600000000, -0.0002285200000000 ] - [ -0.0001714500000000, -0.0001427800000000, -0.0002266600000000 ] - [ 0.0037323200000000, -0.0019407000000000, 0.0005366600000000 ] - [ -0.0034145700000000, -0.0018566700000000, 0.0004079500000000 ] - [ 0.0001446600000000, -0.0003197100000000, 0.0004169000000000 ] - [ 0.0001214100000000, -0.0003178900000000, 0.0003977100000000 ] - [ -0.0004112700000000, -0.0070812800000000, 0.0023256300000000 ] - [ 0.0009063200000000, -0.0008276400000000, 0.0003305400000000 ] - [ 0.0006897000000000, -0.0005499700000000, 0.0001951700000000 ] - [ 0.0006943400000000, -0.0005451000000000, 0.0002078000000000 ] - [ 0.0006766600000000, 0.0007023100000000, 0.0005429100000000 ] - [ 0.0007629600000000, 0.0006517600000000, 0.0002836900000000 ] - [ 0.0003685700000000, 0.0012732400000000, -0.0012646000000000 ] - [ 0.0005783500000000, 0.0007999200000000, 0.0000397700000000 ] - [ 0.0009398900000000, -0.0002773700000000, -0.0001524000000000 ] - [ -0.0003346600000000, -0.0016324700000000, -0.0006234500000000 ] - [ 0.0005629100000000, 0.0002074500000000, 0.0002719600000000 ] - [ 0.0005141000000000, 0.0002014800000000, 0.0002757900000000 ] - [ -0.0001841300000000, 0.0001024000000000, -0.0008282300000000 ] - [ 0.0000018100000000, 0.0001959500000000, -0.0006394900000000 ] - [ -0.0001767500000000, -0.0002113800000000, 0.0004102300000000 ] - [ 0.0000195900000000, 0.0002670500000000, -0.0000514300000000 ] - [ 0.0002275700000000, -0.0005477900000000, 0.0005501500000000 ] - [ 0.0002507200000000, -0.0002202700000000, 0.0003279800000000 ] - [ 0.0001463600000000, -0.0005480000000000, -0.0000143700000000 ] - [ 0.0001957600000000, -0.0002206100000000, 0.0001602700000000 ] - [ -0.0002059100000000, 0.0003940500000000, -0.0004065700000000 ] - [ -0.0000405900000000, 0.0006815500000000, -0.0004865100000000 ] - [ -0.0002325200000000, 0.0004344100000000, -0.0000720600000000 ] - [ 0.0001339900000000, 0.0009245500000000, 0.0002755200000000 ] - [ -0.0013548500000000, -0.0004671200000000, -0.0002173200000000 ] - [ 0.0108371300000000, -0.0243336400000000, 0.0060033500000000 ] - [ -0.0006993700000000, -0.0004929000000000, -0.0002002500000000 ] - [ -0.0006901300000000, -0.0004934900000000, -0.0002030700000000 ] - [ -0.0111060700000000, 0.0012444300000000, -0.0049376200000000 ] - [ 0.0007563100000000, 0.0013513400000000, -0.0001263300000000 ] - [ -0.0000224600000000, 0.0000492700000000, 0.0001442800000000 ] - [ -0.0000292600000000, 0.0000422000000000, 0.0001288100000000 ] - [ -0.0020433500000000, -0.0031351500000000, -0.0009277900000000 ] - [ 0.0004809100000000, -0.0006267500000000, -0.0006021700000000 ] - [ -0.0001212500000000, -0.0003346600000000, -0.0003516700000000 ] - [ -0.0001173500000000, -0.0003293000000000, -0.0003555700000000 ] - [ -0.0005631800000000, -0.0004521600000000, -0.0002891000000000 ] - [ -0.0005648500000000, -0.0003734700000000, -0.0002585700000000 ] - [ -0.0007841100000000, -0.0013824200000000, 0.0003806200000000 ] - [ -0.0006193000000000, -0.0006470300000000, 0.0000004700000000 ] - [ 0.0000186400000000, 0.0000391900000000, 0.0003571600000000 ] - [ -0.0000333800000000, -0.0000116300000000, 0.0003158100000000 ] - [ 0.0003992000000000, 0.0009897100000000, -0.0001434800000000 ] - [ -0.0006118500000000, 0.0007779200000000, -0.0007372400000000 ] - [ 0.0003497400000000, -0.0015661600000000, -0.0002901000000000 ] - [ -0.0003240800000000, -0.0013130500000000, -0.0003357300000000 ] - [ 0.0000327300000000, -0.0001225300000000, -0.0000803000000000 ] - [ 0.0000196600000000, -0.0001043300000000, -0.0000980700000000 ]- atom: 61 displacement: [ -0.0002094772357658, 0.0000000000000000, 0.0099978057236424 ] forces: - [ -0.0006219000000000, 0.0004387100000000, 0.0050752100000000 ] - [ 0.0002471200000000, -0.0000574300000000, 0.0012201600000000 ] - [ -0.0001538600000000, -0.0008543600000000, -0.0014599300000000 ] - [ -0.0005694700000000, -0.0008076500000000, -0.0011068300000000 ] - [ -0.0003719000000000, 0.0010094600000000, -0.0013617300000000 ] - [ -0.0003481100000000, 0.0008443700000000, -0.0009158900000000 ] - [ 0.0016901400000000, -0.0033692600000000, -0.0001073300000000 ] - [ -0.0010497100000000, -0.0002051500000000, 0.0008213400000000 ] - [ 0.0013631500000000, 0.0004727000000000, 0.0012207500000000 ] - [ -0.0005014100000000, 0.0003379400000000, 0.0005855700000000 ] - [ 0.0002201000000000, -0.0006008100000000, -0.0009884900000000 ] - [ 0.0004408300000000, -0.0006234700000000, -0.0009461800000000 ] - [ -0.0012813800000000, -0.0008252000000000, -0.0001639000000000 ] - [ 0.0025333400000000, -0.0007133900000000, 0.0002843300000000 ] - [ 0.0005435400000000, 0.0007608200000000, -0.0010295900000000 ] - [ 0.0000670600000000, 0.0009119500000000, -0.0011493000000000 ] - [ 0.0002666300000000, -0.0000416900000000, -0.0008067700000000 ] - [ 0.0007354000000000, -0.0001585900000000, -0.0007413500000000 ] - [ 0.0006166100000000, -0.0004416000000000, -0.0010430200000000 ] - [ 0.0003838000000000, -0.0005308300000000, -0.0010809400000000 ] - [ 0.0013355400000000, 0.0004899400000000, 0.0013560700000000 ] - [ 0.0034065300000000, 0.0002198700000000, 0.0053727600000000 ] - [ 0.0004742500000000, 0.0003102800000000, -0.0012937600000000 ] - [ 0.0005197200000000, 0.0003213800000000, -0.0013032800000000 ] - [ -0.0005631300000000, -0.0005540100000000, -0.0000627500000000 ] - [ -0.0005126200000000, -0.0004560000000000, 0.0003869900000000 ] - [ 0.0000439500000000, 0.0005295600000000, -0.0013853000000000 ] - [ -0.0007406200000000, -0.0000809200000000, 0.0007556100000000 ] - [ -0.0005314800000000, 0.0003989800000000, 0.0015748500000000 ] - [ -0.0005428300000000, 0.0003531400000000, 0.0012838700000000 ] - [ -0.0005063200000000, 0.0003657800000000, 0.0003108900000000 ] - [ -0.0005358900000000, 0.0003634100000000, 0.0003806600000000 ] - [ -0.0000123100000000, -0.0000265200000000, 0.0022699900000000 ] - [ 0.0010567200000000, -0.0001241800000000, 0.0030911000000000 ] - [ 0.0001695800000000, -0.0003577700000000, -0.0011214300000000 ] - [ 0.0001820900000000, -0.0003757900000000, -0.0011738000000000 ] - [ -0.0003082200000000, 0.0000530700000000, -0.0007450900000000 ] - [ -0.0002998700000000, 0.0001972100000000, -0.0002905300000000 ] - [ -0.0002116400000000, 0.0005091400000000, -0.0006235900000000 ] - [ -0.0003334500000000, 0.0003537500000000, -0.0002688200000000 ] - [ 0.0027804900000000, 0.0055031900000000, 0.0229823800000000 ] - [ -0.0003543000000000, -0.0006764800000000, 0.0023705100000000 ] - [ -0.0001920200000000, -0.0002447100000000, -0.0014077800000000 ] - [ -0.0003012700000000, -0.0002409100000000, -0.0011854200000000 ] - [ -0.0010014300000000, 0.0001449300000000, -0.0013023700000000 ] - [ 0.0014976800000000, 0.0003717100000000, -0.0025299500000000 ] - [ 0.0011110800000000, 0.0002094400000000, -0.0012146200000000 ] - [ -0.0016597700000000, 0.0002189800000000, -0.0032841500000000 ] - [ -0.0004495800000000, 0.0007227600000000, -0.0000555000000000 ] - [ -0.0008121200000000, 0.0008235400000000, 0.0000379500000000 ] - [ -0.0007366200000000, 0.0004966300000000, -0.0000623000000000 ] - [ -0.0005710000000000, 0.0004810100000000, 0.0000556600000000 ] - [ 0.0000631200000000, -0.0000446200000000, 0.0004252000000000 ] - [ -0.0000729200000000, -0.0000128100000000, 0.0003239000000000 ] - [ -0.0002185700000000, 0.0001945200000000, 0.0002133600000000 ] - [ 0.0001012100000000, 0.0000855900000000, 0.0001668200000000 ] - [ 0.0008141900000000, 0.0003725100000000, 0.0009344800000000 ] - [ -0.0005314900000000, 0.0001746700000000, 0.0000979200000000 ] - [ -0.0002987000000000, 0.0000209300000000, 0.0005738700000000 ] - [ 0.0004159100000000, -0.0000714200000000, 0.0005240700000000 ] - [ -0.0152760400000000, -0.0039181400000000, -0.0373704600000000 ] - [ 0.0001999200000000, -0.0000943100000000, -0.0005646700000000 ] - [ 0.0002301200000000, -0.0000796200000000, 0.0007334900000000 ] - [ 0.0002621600000000, -0.0000756800000000, 0.0006490400000000 ] - [ 0.0007234500000000, -0.0005849000000000, -0.0007350200000000 ] - [ -0.0002108500000000, -0.0000326000000000, -0.0003994600000000 ] - [ -0.0000939100000000, 0.0002113400000000, 0.0007353400000000 ] - [ -0.0000273800000000, 0.0002231100000000, 0.0007452900000000 ] - [ -0.0067208800000000, -0.0085399900000000, 0.0024309500000000 ] - [ 0.0005037600000000, -0.0000095100000000, -0.0010451400000000 ] - [ -0.0000304000000000, 0.0001895000000000, 0.0003942000000000 ] - [ -0.0000448400000000, 0.0001732700000000, 0.0002675400000000 ] - [ -0.0004561400000000, 0.0118486000000000, 0.0065181900000000 ] - [ -0.0003330200000000, 0.0003616500000000, -0.0008233100000000 ] - [ -0.0006546200000000, 0.0002407900000000, 0.0003899900000000 ] - [ -0.0006039600000000, 0.0002576500000000, 0.0002519100000000 ] - [ 0.0008861600000000, -0.0000497300000000, 0.0016452200000000 ] - [ -0.0003779600000000, -0.0001680300000000, 0.0007911600000000 ] - [ -0.0001058100000000, 0.0005238200000000, 0.0008333300000000 ] - [ 0.0005611400000000, 0.0007978800000000, 0.0009176500000000 ] - [ 0.0013431000000000, -0.0002895200000000, 0.0002602000000000 ] - [ -0.0015730300000000, -0.0006068400000000, 0.0033676100000000 ] - [ 0.0003871100000000, -0.0002123600000000, 0.0006457100000000 ] - [ 0.0006713700000000, -0.0002091100000000, 0.0011459100000000 ] - [ 0.0001040100000000, 0.0000712900000000, -0.0003488700000000 ] - [ -0.0000706800000000, -0.0000348600000000, -0.0004572700000000 ] - [ -0.0000666400000000, -0.0001986500000000, 0.0002426200000000 ] - [ 0.0000234200000000, -0.0001856600000000, 0.0000806700000000 ] - [ -0.0001998500000000, -0.0001704400000000, -0.0008617400000000 ] - [ -0.0004351000000000, -0.0003831000000000, -0.0010916000000000 ] - [ -0.0001235000000000, -0.0000493500000000, 0.0001118700000000 ] - [ -0.0001305500000000, -0.0000475700000000, 0.0001356500000000 ] - [ 0.0000143800000000, -0.0003756000000000, -0.0016864500000000 ] - [ 0.0002157100000000, -0.0001498200000000, -0.0012407200000000 ] - [ 0.0001103400000000, -0.0002891800000000, 0.0009013300000000 ] - [ 0.0001157000000000, -0.0002887800000000, 0.0008646600000000 ] - [ -0.0003080100000000, -0.0027310500000000, -0.0014341000000000 ] - [ 0.0006887900000000, -0.0006986200000000, -0.0003942000000000 ] - [ 0.0008037300000000, -0.0003794900000000, 0.0006460500000000 ] - [ 0.0008079100000000, -0.0003988000000000, 0.0005852100000000 ] - [ 0.0007900400000000, 0.0002916600000000, 0.0010625900000000 ] - [ 0.0009263100000000, 0.0004156900000000, 0.0005542400000000 ] - [ 0.0010628800000000, 0.0013859100000000, 0.0026611400000000 ] - [ 0.0005816300000000, 0.0006619100000000, 0.0002966300000000 ] - [ 0.0005894200000000, 0.0003329300000000, -0.0004961000000000 ] - [ 0.0010122700000000, 0.0010590800000000, -0.0008725700000000 ] - [ 0.0005344900000000, 0.0002096900000000, 0.0006731500000000 ] - [ 0.0004297700000000, 0.0001990600000000, 0.0007128000000000 ] - [ -0.0000231100000000, 0.0006529800000000, 0.0000756900000000 ] - [ -0.0002284500000000, 0.0005086900000000, -0.0001332700000000 ] - [ -0.0002591200000000, -0.0001967300000000, 0.0001586500000000 ] - [ -0.0000043300000000, 0.0001459900000000, -0.0002865800000000 ] - [ 0.0001577000000000, -0.0001925400000000, 0.0005249300000000 ] - [ 0.0002937300000000, -0.0000186900000000, 0.0003389600000000 ] - [ 0.0001921800000000, 0.0003735000000000, 0.0005255600000000 ] - [ 0.0001945200000000, 0.0001484800000000, 0.0003353900000000 ] - [ 0.0001195900000000, 0.0002260800000000, 0.0000754400000000 ] - [ -0.0004021200000000, 0.0003092400000000, 0.0004180300000000 ] - [ -0.0004002800000000, -0.0001090000000000, -0.0000125500000000 ] - [ 0.0003263100000000, -0.0004532500000000, 0.0008315400000000 ] - [ -0.0008513000000000, -0.0002566400000000, -0.0011638200000000 ] - [ 0.0018505300000000, -0.0073164600000000, -0.0043924600000000 ] - [ -0.0005855700000000, -0.0005986700000000, 0.0001868000000000 ] - [ -0.0006182500000000, -0.0005902700000000, 0.0002354600000000 ] - [ 0.0102824400000000, 0.0044549500000000, -0.0015079800000000 ] - [ -0.0010060400000000, 0.0003036300000000, -0.0012967300000000 ] - [ -0.0000050900000000, -0.0000561900000000, 0.0006093100000000 ] - [ 0.0000533100000000, -0.0000554000000000, 0.0005919600000000 ] - [ 0.0000169000000000, 0.0001220800000000, -0.0025375700000000 ] - [ -0.0000012900000000, -0.0001916700000000, -0.0011892000000000 ] - [ -0.0001465500000000, -0.0003648200000000, 0.0000918800000000 ] - [ -0.0001131100000000, -0.0003710600000000, 0.0000529600000000 ] - [ -0.0006582600000000, -0.0002759900000000, 0.0002537700000000 ] - [ -0.0005956300000000, -0.0002697800000000, 0.0001143100000000 ] - [ -0.0005025500000000, -0.0004748600000000, -0.0002754200000000 ] - [ -0.0005502000000000, -0.0002892900000000, -0.0003517200000000 ] - [ 0.0000570700000000, -0.0001337500000000, 0.0009655300000000 ] - [ -0.0002042600000000, -0.0002068600000000, 0.0008375600000000 ] - [ -0.0012817300000000, 0.0001002700000000, 0.0007273200000000 ] - [ 0.0021288300000000, 0.0004163700000000, 0.0015153900000000 ] - [ -0.0000916700000000, -0.0000012700000000, -0.0010922900000000 ] - [ 0.0001005600000000, -0.0000015300000000, -0.0007734200000000 ] - [ 0.0000762700000000, -0.0000636100000000, 0.0003409300000000 ] - [ 0.0000591800000000, -0.0000437300000000, 0.0002913900000000 ]- atom: 61 displacement: [ 0.0002094772357658, 0.0000000000000000, -0.0099978057236424 ] forces: - [ -0.0002726100000000, -0.0014652000000000, -0.0054022000000000 ] - [ -0.0009608800000000, -0.0011674800000000, -0.0012221700000000 ] - [ -0.0005578900000000, -0.0003745700000000, 0.0014666000000000 ] - [ -0.0001449800000000, -0.0004212500000000, 0.0011158400000000 ] - [ -0.0003422900000000, 0.0002163500000000, 0.0013752600000000 ] - [ -0.0003651200000000, 0.0003832600000000, 0.0009247800000000 ] - [ -0.0023921800000000, 0.0045757100000000, 0.0001201000000000 ] - [ 0.0003347800000000, 0.0014305800000000, -0.0008068100000000 ] - [ -0.0006534200000000, -0.0017091600000000, -0.0012240600000000 ] - [ 0.0012268800000000, -0.0015849400000000, -0.0005789900000000 ] - [ 0.0004937600000000, -0.0006284600000000, 0.0009786900000000 ] - [ 0.0002714200000000, -0.0006055100000000, 0.0009363300000000 ] - [ 0.0019938500000000, 0.0020476500000000, 0.0001360600000000 ] - [ -0.0018217100000000, 0.0019412800000000, -0.0003106500000000 ] - [ 0.0001702500000000, 0.0004694400000000, 0.0010225400000000 ] - [ 0.0006449100000000, 0.0003192400000000, 0.0011415700000000 ] - [ 0.0007587800000000, -0.0006574400000000, -0.0007077700000000 ] - [ 0.0002858900000000, -0.0005381700000000, -0.0007748900000000 ] - [ 0.0004070500000000, -0.0002543300000000, -0.0004707200000000 ] - [ 0.0006379500000000, -0.0001660000000000, -0.0004328700000000 ] - [ -0.0003214500000000, 0.0002119500000000, -0.0028608700000000 ] - [ -0.0023584100000000, 0.0004970900000000, -0.0069195900000000 ] - [ 0.0005496500000000, 0.0003847900000000, -0.0002203700000000 ] - [ 0.0005032400000000, 0.0003735300000000, -0.0002111900000000 ] - [ -0.0004604800000000, -0.0001380000000000, 0.0015778200000000 ] - [ -0.0005112300000000, -0.0002372900000000, 0.0011264600000000 ] - [ -0.0010606600000000, -0.0012111200000000, 0.0028986500000000 ] - [ -0.0002833900000000, -0.0006111300000000, 0.0007617700000000 ] - [ -0.0004928700000000, 0.0002897000000000, -0.0000647200000000 ] - [ -0.0004793200000000, 0.0003392700000000, 0.0002278700000000 ] - [ -0.0005171700000000, 0.0003286400000000, 0.0012038800000000 ] - [ -0.0004872000000000, 0.0003307500000000, 0.0011338800000000 ] - [ 0.0004444400000000, -0.0005751900000000, -0.0022276800000000 ] - [ -0.0006336900000000, -0.0004786300000000, -0.0030418500000000 ] - [ 0.0002596800000000, -0.0002449700000000, 0.0011734700000000 ] - [ 0.0002457400000000, -0.0002270600000000, 0.0012255500000000 ] - [ -0.0001207000000000, 0.0005441100000000, 0.0006906200000000 ] - [ -0.0001291500000000, 0.0004017800000000, 0.0002350500000000 ] - [ -0.0002181900000000, 0.0000878400000000, 0.0005790000000000 ] - [ -0.0000941300000000, 0.0002461800000000, 0.0002230100000000 ] - [ -0.0031800800000000, -0.0059283000000000, -0.0229605300000000 ] - [ -0.0000666200000000, 0.0000743100000000, -0.0024214500000000 ] - [ -0.0002365900000000, -0.0003557300000000, 0.0013575200000000 ] - [ -0.0001277200000000, -0.0003598500000000, 0.0011349800000000 ] - [ 0.0014395800000000, 0.0004660600000000, 0.0013543800000000 ] - [ -0.0010781900000000, 0.0002348300000000, 0.0025898300000000 ] - [ -0.0006783100000000, 0.0003953100000000, 0.0012663100000000 ] - [ 0.0020711000000000, 0.0003877500000000, 0.0033216500000000 ] - [ -0.0009367700000000, 0.0003173800000000, -0.0003480800000000 ] - [ -0.0005736200000000, 0.0002154500000000, -0.0004419900000000 ] - [ -0.0006516800000000, 0.0005408600000000, -0.0003452700000000 ] - [ -0.0008167400000000, 0.0005565700000000, -0.0004637300000000 ] - [ -0.0001152900000000, 0.0001183100000000, -0.0001998000000000 ] - [ 0.0000213500000000, 0.0000853100000000, -0.0000978000000000 ] - [ 0.0001661200000000, -0.0001194300000000, 0.0000109500000000 ] - [ -0.0001538200000000, -0.0000108500000000, 0.0000546700000000 ] - [ -0.0007675700000000, -0.0003090800000000, -0.0011628800000000 ] - [ 0.0005868700000000, -0.0001060400000000, -0.0003221900000000 ] - [ 0.0003478800000000, 0.0000489200000000, -0.0007998000000000 ] - [ -0.0003628400000000, 0.0001416300000000, -0.0007499200000000 ] - [ 0.0158393600000000, 0.0035128800000000, 0.0382696000000000 ] - [ 0.0001610900000000, -0.0000367600000000, 0.0010498700000000 ] - [ 0.0001314800000000, -0.0000489100000000, -0.0002472400000000 ] - [ 0.0000995000000000, -0.0000527600000000, -0.0001636700000000 ] - [ -0.0007459100000000, 0.0009026700000000, 0.0012158400000000 ] - [ 0.0001964100000000, 0.0003426900000000, 0.0008760400000000 ] - [ 0.0000784800000000, 0.0000982300000000, -0.0002632100000000 ] - [ 0.0000126500000000, 0.0000865100000000, -0.0002729300000000 ] - [ 0.0066815800000000, 0.0087736900000000, -0.0029129200000000 ] - [ -0.0004923600000000, 0.0003167500000000, 0.0005674100000000 ] - [ 0.0000450200000000, 0.0001188500000000, -0.0008682200000000 ] - [ 0.0000597900000000, 0.0001354000000000, -0.0007408700000000 ] - [ -0.0006657400000000, -0.0114907400000000, -0.0069973300000000 ] - [ -0.0007850500000000, 0.0001696300000000, 0.0004225900000000 ] - [ -0.0004623800000000, 0.0002891600000000, -0.0007955700000000 ] - [ -0.0005128500000000, 0.0002726300000000, -0.0006575000000000 ] - [ -0.0006436100000000, 0.0007000100000000, -0.0008925100000000 ] - [ 0.0006343900000000, 0.0008196300000000, -0.0000251000000000 ] - [ 0.0003561500000000, 0.0001250700000000, -0.0000662100000000 ] - [ -0.0003053800000000, -0.0001468700000000, -0.0001503400000000 ] - [ -0.0002317400000000, -0.0002455200000000, 0.0001483100000000 ] - [ 0.0027190000000000, 0.0000787200000000, -0.0030073400000000 ] - [ 0.0007290600000000, -0.0003187900000000, -0.0002421100000000 ] - [ 0.0004472800000000, -0.0003224900000000, -0.0007385000000000 ] - [ -0.0000901900000000, -0.0003777100000000, -0.0001213500000000 ] - [ 0.0000850500000000, -0.0002727900000000, -0.0000134700000000 ] - [ 0.0000814100000000, -0.0001095300000000, -0.0007173100000000 ] - [ -0.0000083500000000, -0.0001230500000000, -0.0005558200000000 ] - [ -0.0001632300000000, 0.0000463400000000, 0.0003765900000000 ] - [ 0.0000728400000000, 0.0002634700000000, 0.0006073900000000 ] - [ -0.0002388500000000, -0.0000778200000000, -0.0005988500000000 ] - [ -0.0002314900000000, -0.0000795400000000, -0.0006224500000000 ] - [ 0.0002442400000000, -0.0002853700000000, 0.0024583000000000 ] - [ 0.0000298300000000, -0.0005098900000000, 0.0020076600000000 ] - [ 0.0001415000000000, -0.0003594900000000, -0.0001351100000000 ] - [ 0.0001369200000000, -0.0003598400000000, -0.0000981100000000 ] - [ 0.0017012700000000, 0.0016975100000000, 0.0018519700000000 ] - [ 0.0006967700000000, -0.0003392700000000, 0.0008012300000000 ] - [ 0.0005834900000000, -0.0006576700000000, -0.0002410200000000 ] - [ 0.0005791500000000, -0.0006383800000000, -0.0001803600000000 ] - [ 0.0005976700000000, 0.0007456700000000, -0.0006608500000000 ] - [ 0.0004596000000000, 0.0006211400000000, -0.0001488300000000 ] - [ 0.0003288900000000, -0.0003398400000000, -0.0022276400000000 ] - [ 0.0008048100000000, 0.0003755600000000, 0.0001080000000000 ] - [ 0.0005267100000000, 0.0001980000000000, 0.0008991100000000 ] - [ 0.0001087500000000, -0.0005242900000000, 0.0012736500000000 ] - [ 0.0005818200000000, 0.0003213300000000, -0.0002695800000000 ] - [ 0.0006876500000000, 0.0003319700000000, -0.0003088400000000 ] - [ -0.0002304800000000, -0.0000043000000000, -0.0008415700000000 ] - [ -0.0000244900000000, 0.0001401300000000, -0.0006329800000000 ] - [ 0.0000066500000000, 0.0008459000000000, -0.0009298900000000 ] - [ -0.0002486400000000, 0.0005028000000000, -0.0004841700000000 ] - [ 0.0002049000000000, 0.0003242100000000, -0.0000396200000000 ] - [ 0.0000668200000000, 0.0001483500000000, 0.0001479300000000 ] - [ 0.0001694600000000, -0.0002418600000000, -0.0000403000000000 ] - [ 0.0001668200000000, -0.0000193900000000, 0.0001486400000000 ] - [ -0.0004829100000000, -0.0001005000000000, -0.0005606000000000 ] - [ 0.0000411500000000, -0.0001847800000000, -0.0009047200000000 ] - [ 0.0000371100000000, 0.0002352700000000, -0.0004756900000000 ] - [ -0.0006864000000000, 0.0005742200000000, -0.0013165900000000 ] - [ -0.0005348700000000, -0.0007796200000000, 0.0007559400000000 ] - [ -0.0032843800000000, 0.0063967300000000, 0.0039162500000000 ] - [ -0.0008023700000000, -0.0004391600000000, -0.0005933300000000 ] - [ -0.0007690900000000, -0.0004477900000000, -0.0006418200000000 ] - [ -0.0103129000000000, -0.0045228900000000, 0.0018280800000000 ] - [ 0.0009445500000000, -0.0003758600000000, 0.0015306800000000 ] - [ -0.0000470200000000, -0.0000161400000000, -0.0003846500000000 ] - [ -0.0001047300000000, -0.0000169100000000, -0.0003675700000000 ] - [ -0.0002618100000000, -0.0007561100000000, 0.0017749500000000 ] - [ -0.0002552600000000, -0.0004545800000000, 0.0004238400000000 ] - [ -0.0001065000000000, -0.0002839900000000, -0.0008596100000000 ] - [ -0.0001396700000000, -0.0002776900000000, -0.0008209000000000 ] - [ -0.0004585500000000, -0.0002535200000000, -0.0006589300000000 ] - [ -0.0005216000000000, -0.0002601300000000, -0.0005186800000000 ] - [ -0.0006114900000000, -0.0000509500000000, -0.0001357000000000 ] - [ -0.0005676300000000, -0.0002396300000000, -0.0000559500000000 ] - [ -0.0000731600000000, -0.0001768300000000, -0.0004950600000000 ] - [ 0.0001902600000000, -0.0001025800000000, -0.0003653000000000 ] - [ 0.0012592400000000, -0.0004127500000000, -0.0002556900000000 ] - [ -0.0021236500000000, -0.0007243000000000, -0.0010420600000000 ] - [ 0.0001432600000000, -0.0000663600000000, 0.0008659800000000 ] - [ -0.0000492200000000, -0.0000675900000000, 0.0005474900000000 ] - [ -0.0000248200000000, -0.0000070700000000, -0.0005675600000000 ] - [ -0.0000072500000000, -0.0000271800000000, -0.0005175000000000 ]- atom: 65 displacement: [ 0.0099999598693730, 0.0000000000000000, -0.0000283303887883 ] forces: - [ 0.0028545700000000, 0.0010434700000000, 0.0001288400000000 ] - [ -0.0037048300000000, -0.0038539100000000, -0.0018354300000000 ] - [ -0.0003174700000000, -0.0005996900000000, 0.0001356200000000 ] - [ -0.0003884300000000, -0.0006336200000000, 0.0001464700000000 ] - [ -0.0001716900000000, 0.0006992200000000, 0.0010700400000000 ] - [ -0.0007607300000000, 0.0003123900000000, -0.0006325200000000 ] - [ 0.0002507600000000, 0.0009736600000000, -0.0011388000000000 ] - [ -0.0014018200000000, 0.0002906300000000, 0.0014191700000000 ] - [ 0.0020546300000000, -0.0003426100000000, 0.0008018800000000 ] - [ -0.0005207700000000, -0.0005327900000000, -0.0000767800000000 ] - [ 0.0008826500000000, -0.0006385700000000, 0.0001725400000000 ] - [ -0.0000894800000000, -0.0005759500000000, 0.0000197200000000 ] - [ 0.0023456100000000, 0.0009173300000000, -0.0002963700000000 ] - [ -0.0009139900000000, 0.0007128100000000, -0.0002507200000000 ] - [ 0.0004624700000000, 0.0006465800000000, 0.0001533500000000 ] - [ 0.0002564700000000, 0.0006363900000000, 0.0000995400000000 ] - [ 0.0066382800000000, -0.0018761900000000, 0.0038318700000000 ] - [ -0.0006763900000000, -0.0003988600000000, -0.0007453100000000 ] - [ 0.0006284200000000, -0.0003497100000000, -0.0006450700000000 ] - [ 0.0004119400000000, -0.0003522000000000, -0.0007200600000000 ] - [ 0.0011851500000000, 0.0002225300000000, -0.0008036300000000 ] - [ -0.0000754600000000, 0.0003584700000000, -0.0008674600000000 ] - [ 0.0005995700000000, 0.0003637900000000, -0.0006579000000000 ] - [ 0.0004342400000000, 0.0003467500000000, -0.0007042900000000 ] - [ -0.0005808800000000, -0.0003063900000000, 0.0009988800000000 ] - [ -0.0005208300000000, -0.0003216000000000, 0.0006592500000000 ] - [ -0.0004782900000000, -0.0003287800000000, 0.0006686400000000 ] - [ -0.0005492900000000, -0.0003426100000000, 0.0008764200000000 ] - [ -0.0021302000000000, -0.0033203900000000, -0.0014124400000000 ] - [ -0.0026475200000000, 0.0018491100000000, 0.0008744200000000 ] - [ -0.0005154100000000, 0.0003400000000000, 0.0008386900000000 ] - [ -0.0005057500000000, 0.0003485200000000, 0.0007908200000000 ] - [ 0.0323319000000000, -0.0024016400000000, -0.0263843300000000 ] - [ -0.0051049400000000, -0.0010971400000000, -0.0012794200000000 ] - [ 0.0004441300000000, -0.0003177500000000, 0.0001412400000000 ] - [ -0.0000004400000000, -0.0003032100000000, 0.0002104200000000 ] - [ -0.0009205400000000, -0.0010622200000000, 0.0029027100000000 ] - [ -0.0013796500000000, 0.0018747700000000, -0.0015351300000000 ] - [ -0.0000915300000000, 0.0002356200000000, -0.0001628600000000 ] - [ -0.0003817100000000, 0.0004073100000000, 0.0004825400000000 ] - [ -0.0001625800000000, 0.0003421000000000, -0.0008617900000000 ] - [ -0.0006429900000000, -0.0003258800000000, 0.0000043100000000 ] - [ -0.0002481800000000, -0.0002892000000000, 0.0002329300000000 ] - [ -0.0001806500000000, -0.0002879800000000, 0.0000251400000000 ] - [ 0.0022015900000000, 0.0005608200000000, -0.0005072900000000 ] - [ -0.0010941600000000, 0.0003821200000000, 0.0005006100000000 ] - [ 0.0005254000000000, 0.0002351900000000, 0.0002022500000000 ] - [ -0.0000679000000000, 0.0002757200000000, 0.0000468200000000 ] - [ -0.0010794100000000, -0.0005067400000000, 0.0003373400000000 ] - [ 0.0002166200000000, 0.0009394500000000, -0.0003171200000000 ] - [ -0.0007868800000000, 0.0004596800000000, -0.0003480700000000 ] - [ -0.0006367600000000, 0.0005350200000000, -0.0001802700000000 ] - [ -0.0008765800000000, 0.0000666100000000, -0.0004801500000000 ] - [ 0.0006547000000000, -0.0000374600000000, 0.0003979800000000 ] - [ -0.0002511400000000, 0.0000739500000000, 0.0001481900000000 ] - [ 0.0001613200000000, 0.0000010800000000, 0.0000157500000000 ] - [ -0.0007715700000000, -0.0004690800000000, -0.0007308000000000 ] - [ 0.0005342300000000, 0.0001949700000000, 0.0001861700000000 ] - [ -0.0000346800000000, 0.0000338400000000, -0.0001404200000000 ] - [ 0.0000792100000000, 0.0000395200000000, -0.0001655700000000 ] - [ 0.0004534100000000, -0.0006836500000000, 0.0009893600000000 ] - [ 0.0001923800000000, 0.0006804000000000, 0.0000425000000000 ] - [ 0.0001986600000000, -0.0000751300000000, 0.0001553800000000 ] - [ 0.0001468100000000, -0.0000546700000000, 0.0002208200000000 ] - [ -0.0566093200000000, 0.0017007000000000, 0.0346257900000000 ] - [ 0.0018574500000000, 0.0000751800000000, 0.0001402200000000 ] - [ -0.0000447100000000, 0.0001630900000000, 0.0001510400000000 ] - [ 0.0000401600000000, 0.0001518500000000, 0.0001810300000000 ] - [ -0.0001768700000000, 0.0000261600000000, 0.0000730400000000 ] - [ 0.0001902100000000, 0.0001771200000000, -0.0004039200000000 ] - [ 0.0000050300000000, 0.0001500200000000, -0.0004240400000000 ] - [ 0.0000318700000000, 0.0001367200000000, -0.0002046000000000 ] - [ -0.0003285300000000, 0.0000236600000000, -0.0000346700000000 ] - [ -0.0006413000000000, 0.0002419300000000, -0.0000317200000000 ] - [ -0.0005388700000000, 0.0002561800000000, -0.0002680900000000 ] - [ -0.0005591900000000, 0.0002591100000000, -0.0002568000000000 ] - [ -0.0021783500000000, -0.0007512200000000, -0.0011846400000000 ] - [ 0.0008014300000000, 0.0004926100000000, 0.0005186600000000 ] - [ -0.0000158300000000, 0.0003256700000000, 0.0003623900000000 ] - [ 0.0002693000000000, 0.0003858000000000, 0.0002795600000000 ] - [ -0.0005794400000000, 0.0009264600000000, 0.0011321000000000 ] - [ 0.0020688900000000, -0.0005922200000000, -0.0003594900000000 ] - [ 0.0005164700000000, -0.0002633400000000, 0.0001152400000000 ] - [ 0.0006182800000000, -0.0002631600000000, 0.0001753300000000 ] - [ 0.0019229400000000, 0.0070766600000000, -0.0037151100000000 ] - [ 0.0008119700000000, -0.0007355500000000, 0.0002219300000000 ] - [ -0.0000137600000000, -0.0001423800000000, -0.0002779200000000 ] - [ 0.0000474000000000, -0.0001763200000000, -0.0003348500000000 ] - [ 0.0016961500000000, -0.0071568800000000, -0.0068941900000000 ] - [ 0.0009827600000000, 0.0004329000000000, 0.0002841700000000 ] - [ -0.0002514200000000, -0.0000662000000000, -0.0002842500000000 ] - [ -0.0001276500000000, -0.0000602300000000, -0.0002960000000000 ] - [ -0.0054837700000000, -0.0010922800000000, 0.0017525300000000 ] - [ 0.0017401500000000, -0.0003972700000000, 0.0003878000000000 ] - [ 0.0000398900000000, -0.0003058900000000, 0.0002663000000000 ] - [ 0.0002136100000000, -0.0003288200000000, 0.0003763700000000 ] - [ 0.0068992900000000, -0.0009969800000000, 0.0032190600000000 ] - [ 0.0197330900000000, 0.0056900000000000, -0.0096362300000000 ] - [ 0.0007132900000000, -0.0005276600000000, 0.0001348400000000 ] - [ 0.0006521400000000, -0.0005227500000000, 0.0001688400000000 ] - [ 0.0009587100000000, 0.0003765900000000, -0.0000885100000000 ] - [ 0.0004331800000000, 0.0006735600000000, 0.0004190500000000 ] - [ 0.0008095800000000, 0.0004428000000000, 0.0003207600000000 ] - [ 0.0005717900000000, 0.0006662200000000, 0.0000054300000000 ] - [ -0.0005132100000000, 0.0004840600000000, -0.0016611900000000 ] - [ 0.0013138500000000, 0.0003626000000000, 0.0008680600000000 ] - [ 0.0003359000000000, 0.0002824900000000, 0.0002685800000000 ] - [ 0.0007838100000000, 0.0002871900000000, 0.0000258100000000 ] - [ -0.0004212700000000, 0.0007855800000000, -0.0009836700000000 ] - [ 0.0001389700000000, 0.0000870500000000, -0.0001949900000000 ] - [ -0.0002322100000000, 0.0003215900000000, -0.0004270500000000 ] - [ -0.0000246900000000, 0.0002573100000000, -0.0004839500000000 ] - [ 0.0009814400000000, 0.0004737200000000, -0.0010184700000000 ] - [ 0.0013479900000000, -0.0005313800000000, 0.0023842300000000 ] - [ 0.0001896800000000, 0.0000896600000000, 0.0003052500000000 ] - [ 0.0001762400000000, 0.0000378000000000, 0.0000436800000000 ] - [ -0.0005184300000000, 0.0000495400000000, -0.0001522900000000 ] - [ 0.0000994700000000, -0.0000069700000000, -0.0003150200000000 ] - [ -0.0002575700000000, 0.0000612800000000, -0.0003207200000000 ] - [ -0.0001171200000000, 0.0000569200000000, -0.0002268300000000 ] - [ -0.0009376200000000, -0.0007819700000000, -0.0003521200000000 ] - [ -0.0003624400000000, -0.0006840400000000, 0.0000350300000000 ] - [ -0.0007796900000000, -0.0005007400000000, -0.0002442500000000 ] - [ -0.0006290900000000, -0.0005328600000000, -0.0002549300000000 ] - [ -0.0006576000000000, -0.0005818900000000, 0.0005720600000000 ] - [ 0.0004469600000000, 0.0001115700000000, 0.0001411400000000 ] - [ -0.0000597500000000, -0.0000398900000000, 0.0000264300000000 ] - [ -0.0000024900000000, -0.0000394400000000, 0.0000812800000000 ] - [ -0.0006065800000000, -0.0000836800000000, 0.0000159500000000 ] - [ 0.0003555100000000, -0.0006978100000000, -0.0004178200000000 ] - [ -0.0001450300000000, -0.0003244400000000, -0.0004709600000000 ] - [ -0.0001074800000000, -0.0003329600000000, -0.0004074200000000 ] - [ -0.0004292600000000, -0.0000777700000000, -0.0006121200000000 ] - [ -0.0005927800000000, -0.0005046000000000, 0.0002374100000000 ] - [ -0.0005129500000000, -0.0001599500000000, 0.0000153300000000 ] - [ -0.0004315300000000, -0.0003882000000000, -0.0006677400000000 ] - [ -0.0002210200000000, -0.0003090600000000, -0.0000410600000000 ] - [ 0.0002114000000000, -0.0001074600000000, 0.0002006200000000 ] - [ -0.0002188900000000, -0.0001637200000000, 0.0002892500000000 ] - [ 0.0002108200000000, -0.0000892700000000, 0.0001988900000000 ] - [ -0.0019149200000000, 0.0023175600000000, 0.0067086200000000 ] - [ 0.0014979100000000, -0.0002597900000000, -0.0004910700000000 ] - [ -0.0000798500000000, -0.0000142700000000, -0.0002613000000000 ] - [ 0.0001238900000000, -0.0000397700000000, -0.0000776800000000 ]- atom: 65 displacement: [ -0.0099999598693730, 0.0000000000000000, 0.0000283303887883 ] forces: - [ -0.0034458400000000, -0.0024141900000000, -0.0001434300000000 ] - [ 0.0029878500000000, 0.0026428900000000, 0.0018538600000000 ] - [ -0.0003942600000000, -0.0006283200000000, -0.0001239700000000 ] - [ -0.0003247900000000, -0.0005941400000000, -0.0001360800000000 ] - [ -0.0005346000000000, 0.0005300200000000, -0.0010574300000000 ] - [ 0.0000461900000000, 0.0009159100000000, 0.0006444000000000 ] - [ -0.0009451100000000, 0.0002510200000000, 0.0011630900000000 ] - [ 0.0006826900000000, 0.0009372200000000, -0.0014204600000000 ] - [ -0.0013447400000000, -0.0008730000000000, -0.0008035200000000 ] - [ 0.0012340100000000, -0.0006969900000000, 0.0000630000000000 ] - [ -0.0001692200000000, -0.0005894000000000, -0.0001809700000000 ] - [ 0.0008016100000000, -0.0006527900000000, -0.0000257200000000 ] - [ -0.0016276900000000, 0.0003178100000000, 0.0002830200000000 ] - [ 0.0016244600000000, 0.0005158800000000, 0.0002410000000000 ] - [ 0.0002504500000000, 0.0005818000000000, -0.0001599200000000 ] - [ 0.0004568700000000, 0.0005919500000000, -0.0001071200000000 ] - [ -0.0055349400000000, 0.0011872500000000, -0.0053794500000000 ] - [ 0.0016950500000000, -0.0002977100000000, -0.0007651400000000 ] - [ 0.0003930100000000, -0.0003451700000000, -0.0008674900000000 ] - [ 0.0006112800000000, -0.0003427800000000, -0.0007938600000000 ] - [ -0.0001697200000000, 0.0004579300000000, -0.0007089500000000 ] - [ 0.0010975000000000, 0.0003397100000000, -0.0006488200000000 ] - [ 0.0004233500000000, 0.0003311600000000, -0.0008564400000000 ] - [ 0.0005879600000000, 0.0003483900000000, -0.0008085400000000 ] - [ -0.0004403000000000, -0.0003872400000000, 0.0005171800000000 ] - [ -0.0005026600000000, -0.0003726800000000, 0.0008556800000000 ] - [ -0.0005427400000000, -0.0003663500000000, 0.0008455400000000 ] - [ -0.0004741900000000, -0.0003520800000000, 0.0006380300000000 ] - [ 0.0011278000000000, 0.0039964700000000, 0.0029077700000000 ] - [ 0.0016197300000000, -0.0011633000000000, 0.0006361200000000 ] - [ -0.0005058800000000, 0.0003550500000000, 0.0006764700000000 ] - [ -0.0005162800000000, 0.0003462700000000, 0.0007242200000000 ] - [ -0.0319808200000000, 0.0018323800000000, 0.0274492300000000 ] - [ 0.0055156500000000, 0.0004793900000000, 0.0013101000000000 ] - [ -0.0000151100000000, -0.0002837600000000, -0.0000883800000000 ] - [ 0.0004294000000000, -0.0002984600000000, -0.0001565200000000 ] - [ 0.0005006100000000, 0.0016540900000000, -0.0029474300000000 ] - [ 0.0009442500000000, -0.0012773300000000, 0.0014855900000000 ] - [ -0.0003337700000000, 0.0003678900000000, 0.0001160400000000 ] - [ -0.0000496200000000, 0.0001943700000000, -0.0005320400000000 ] - [ -0.0002580000000000, -0.0009373100000000, 0.0008032400000000 ] - [ 0.0002080000000000, -0.0002729000000000, -0.0000584500000000 ] - [ -0.0001793300000000, -0.0003123700000000, -0.0002811200000000 ] - [ -0.0002484700000000, -0.0003136400000000, -0.0000739000000000 ] - [ -0.0017714900000000, 0.0000307000000000, 0.0005543100000000 ] - [ 0.0015201100000000, 0.0002231800000000, -0.0004420000000000 ] - [ -0.0000999600000000, 0.0003654400000000, -0.0001452400000000 ] - [ 0.0004992500000000, 0.0003262500000000, 0.0000029900000000 ] - [ -0.0003026000000000, 0.0015429800000000, -0.0007401900000000 ] - [ -0.0016035600000000, 0.0001008100000000, -0.0000886000000000 ] - [ -0.0005995300000000, 0.0005779600000000, -0.0000583100000000 ] - [ -0.0007511700000000, 0.0005023700000000, -0.0002261700000000 ] - [ 0.0008183700000000, 0.0000041300000000, 0.0007060100000000 ] - [ -0.0007052000000000, 0.0001101100000000, -0.0001741000000000 ] - [ 0.0001986200000000, -0.0000035600000000, 0.0000735900000000 ] - [ -0.0002124200000000, 0.0000711200000000, 0.0002106700000000 ] - [ 0.0008170500000000, 0.0005392300000000, 0.0004995800000000 ] - [ -0.0004804500000000, -0.0001256000000000, -0.0004132900000000 ] - [ 0.0000862000000000, 0.0000383100000000, -0.0000868000000000 ] - [ -0.0000269200000000, 0.0000320300000000, -0.0000596300000000 ] - [ -0.0000941900000000, 0.0005526600000000, -0.0004968100000000 ] - [ 0.0001753200000000, -0.0008102600000000, 0.0004460000000000 ] - [ 0.0001632300000000, -0.0000525300000000, 0.0003297500000000 ] - [ 0.0002156600000000, -0.0000730400000000, 0.0002647500000000 ] - [ 0.0567820200000000, -0.0013649600000000, -0.0352701900000000 ] - [ -0.0018690800000000, 0.0002364500000000, 0.0003300600000000 ] - [ 0.0000301200000000, 0.0001459900000000, 0.0003205400000000 ] - [ -0.0000547700000000, 0.0001573600000000, 0.0002909600000000 ] - [ 0.0001898000000000, 0.0002822500000000, -0.0005439600000000 ] - [ -0.0001736700000000, 0.0001316900000000, -0.0000677000000000 ] - [ 0.0000096800000000, 0.0001591700000000, -0.0000501700000000 ] - [ -0.0000161200000000, 0.0001724100000000, -0.0002693000000000 ] - [ -0.0007892200000000, 0.0005037500000000, -0.0003674300000000 ] - [ -0.0004732500000000, 0.0002881800000000, -0.0003720400000000 ] - [ -0.0005777900000000, 0.0002745400000000, -0.0001377900000000 ] - [ -0.0005568900000000, 0.0002716800000000, -0.0001485600000000 ] - [ 0.0024141600000000, 0.0014176600000000, 0.0019788600000000 ] - [ -0.0005465200000000, 0.0001558900000000, 0.0002456500000000 ] - [ 0.0002692200000000, 0.0003236000000000, 0.0004022700000000 ] - [ -0.0000165200000000, 0.0002630900000000, 0.0004883300000000 ] - [ 0.0017005600000000, -0.0014537000000000, -0.0007236400000000 ] - [ -0.0009473200000000, 0.0000587500000000, 0.0007606800000000 ] - [ 0.0006012000000000, -0.0002672200000000, 0.0002882300000000 ] - [ 0.0004983600000000, -0.0002674400000000, 0.0002288400000000 ] - [ -0.0019201000000000, -0.0073033500000000, 0.0032140000000000 ] - [ -0.0007946100000000, 0.0004291000000000, -0.0006956100000000 ] - [ 0.0000286800000000, -0.0001666000000000, -0.0001965500000000 ] - [ -0.0000317300000000, -0.0001324400000000, -0.0001385500000000 ] - [ -0.0020317100000000, 0.0070717800000000, 0.0064484800000000 ] - [ -0.0013435000000000, -0.0005521400000000, -0.0007650700000000 ] - [ -0.0001102400000000, -0.0000611000000000, -0.0002024700000000 ] - [ -0.0002342200000000, -0.0000668700000000, -0.0001909400000000 ] - [ 0.0057070500000000, 0.0005536200000000, -0.0011063000000000 ] - [ -0.0014853700000000, -0.0002559300000000, 0.0003852000000000 ] - [ 0.0002126200000000, -0.0003431700000000, 0.0005001800000000 ] - [ 0.0000389100000000, -0.0003200300000000, 0.0003897700000000 ] - [ -0.0054063900000000, -0.0000614800000000, -0.0027544400000000 ] - [ -0.0187316100000000, -0.0068546400000000, 0.0102841700000000 ] - [ 0.0006733400000000, -0.0005102500000000, 0.0002696000000000 ] - [ 0.0007354600000000, -0.0005147200000000, 0.0002362100000000 ] - [ 0.0004273100000000, 0.0006610200000000, 0.0004909800000000 ] - [ 0.0009566600000000, 0.0003641800000000, -0.0000124400000000 ] - [ 0.0005743600000000, 0.0005971600000000, 0.0000837400000000 ] - [ 0.0008184500000000, 0.0003711000000000, 0.0004002000000000 ] - [ 0.0016457400000000, 0.0000477000000000, 0.0020607100000000 ] - [ -0.0001995600000000, 0.0001695800000000, -0.0004520400000000 ] - [ 0.0007816100000000, 0.0002480600000000, 0.0001360400000000 ] - [ 0.0003332500000000, 0.0002433900000000, 0.0003774400000000 ] - [ 0.0001671200000000, -0.0001357000000000, 0.0002144300000000 ] - [ -0.0003898600000000, 0.0005620200000000, -0.0005728500000000 ] - [ -0.0000206300000000, 0.0003270300000000, -0.0003415400000000 ] - [ -0.0002267900000000, 0.0003918500000000, -0.0002833200000000 ] - [ -0.0006162400000000, -0.0003398400000000, 0.0014924300000000 ] - [ -0.0009866500000000, 0.0006615500000000, -0.0019111200000000 ] - [ 0.0001707600000000, 0.0000374700000000, 0.0001790500000000 ] - [ 0.0001872100000000, 0.0000899400000000, 0.0004420700000000 ] - [ 0.0001560800000000, 0.0000785200000000, -0.0003332600000000 ] - [ -0.0004609500000000, 0.0001336100000000, -0.0001724500000000 ] - [ -0.0001032700000000, 0.0000671900000000, -0.0001663300000000 ] - [ -0.0002455500000000, 0.0000708300000000, -0.0002592000000000 ] - [ -0.0004469200000000, -0.0002580500000000, -0.0000520300000000 ] - [ -0.0010254700000000, -0.0003544100000000, -0.0004391000000000 ] - [ -0.0006073900000000, -0.0005368100000000, -0.0001620600000000 ] - [ -0.0007582100000000, -0.0005046300000000, -0.0001517400000000 ] - [ 0.0005997800000000, 0.0005102000000000, -0.0003398400000000 ] - [ -0.0004964000000000, -0.0001856700000000, 0.0000861200000000 ] - [ 0.0000078400000000, -0.0000316500000000, 0.0001979000000000 ] - [ -0.0000488600000000, -0.0000321700000000, 0.0001432500000000 ] - [ 0.0003496900000000, -0.0005695300000000, -0.0007802800000000 ] - [ -0.0006052400000000, 0.0000489600000000, -0.0003484600000000 ] - [ -0.0001079200000000, -0.0003242700000000, -0.0002973000000000 ] - [ -0.0001448000000000, -0.0003154900000000, -0.0003605800000000 ] - [ -0.0006882600000000, -0.0004511900000000, 0.0002048900000000 ] - [ -0.0005224900000000, -0.0000249200000000, -0.0006425100000000 ] - [ -0.0006074500000000, -0.0003717400000000, -0.0004220800000000 ] - [ -0.0006821800000000, -0.0001419200000000, 0.0002616300000000 ] - [ 0.0002057700000000, 0.0000021100000000, 0.0005150300000000 ] - [ -0.0002252800000000, -0.0002018500000000, 0.0002703000000000 ] - [ 0.0002058400000000, -0.0001410800000000, 0.0001754400000000 ] - [ -0.0002259200000000, -0.0002204700000000, 0.0002763400000000 ] - [ 0.0019129300000000, -0.0024035300000000, -0.0069717300000000 ] - [ -0.0014449100000000, 0.0001935800000000, 0.0002711600000000 ] - [ 0.0001316800000000, -0.0000569200000000, 0.0000352100000000 ] - [ -0.0000714200000000, -0.0000313300000000, -0.0001484000000000 ]- atom: 65 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0008232900000000, 0.0028407400000000, -0.0007809200000000 ] - [ -0.0017712900000000, -0.0006222600000000, 0.0000242100000000 ] - [ -0.0003319600000000, -0.0005809500000000, 0.0000228500000000 ] - [ -0.0003722900000000, -0.0005810400000000, 0.0000026200000000 ] - [ 0.0000127800000000, 0.0016957800000000, -0.0006888700000000 ] - [ -0.0004175900000000, 0.0012379400000000, -0.0000956800000000 ] - [ 0.0001086000000000, 0.0026284100000000, 0.0009755700000000 ] - [ -0.0003718000000000, 0.0011540300000000, 0.0002181800000000 ] - [ -0.0000551700000000, -0.0020849300000000, -0.0021456400000000 ] - [ 0.0004481700000000, -0.0007949700000000, -0.0002227800000000 ] - [ 0.0003997000000000, -0.0009053900000000, 0.0006976900000000 ] - [ 0.0003507100000000, -0.0007459600000000, 0.0002739700000000 ] - [ 0.0004576400000000, -0.0039167600000000, 0.0002334800000000 ] - [ 0.0004218700000000, -0.0005807300000000, -0.0000705900000000 ] - [ 0.0003591400000000, 0.0004267900000000, -0.0000799500000000 ] - [ 0.0003664600000000, 0.0004928400000000, -0.0000477200000000 ] - [ -0.0011447300000000, 0.0041301400000000, -0.0037981500000000 ] - [ 0.0004818500000000, 0.0001640200000000, -0.0008085700000000 ] - [ 0.0005163500000000, -0.0002088600000000, -0.0008251300000000 ] - [ 0.0005200400000000, -0.0002733700000000, -0.0007779600000000 ] - [ -0.0002217800000000, -0.0013745400000000, 0.0000030400000000 ] - [ 0.0008170800000000, 0.0001607500000000, -0.0005370300000000 ] - [ 0.0004792800000000, 0.0002580100000000, -0.0009757400000000 ] - [ 0.0005252200000000, 0.0003025800000000, -0.0008470500000000 ] - [ -0.0004290100000000, -0.0009977500000000, 0.0005526100000000 ] - [ -0.0005951500000000, -0.0007339100000000, 0.0006737500000000 ] - [ -0.0004842700000000, -0.0005772600000000, 0.0008373500000000 ] - [ -0.0005210900000000, -0.0004957800000000, 0.0007581700000000 ] - [ -0.0042866200000000, -0.0006790300000000, -0.0009759800000000 ] - [ 0.0013813000000000, 0.0008000900000000, 0.0008234500000000 ] - [ -0.0005172300000000, 0.0003812100000000, 0.0007564700000000 ] - [ -0.0005016000000000, 0.0003731600000000, 0.0007611900000000 ] - [ -0.0003748600000000, 0.0189994800000000, -0.0014345300000000 ] - [ 0.0008061100000000, 0.0013162500000000, 0.0004560100000000 ] - [ 0.0001958300000000, -0.0000553400000000, -0.0000208300000000 ] - [ 0.0002478400000000, -0.0001429900000000, -0.0000114200000000 ] - [ -0.0023514800000000, 0.0008295500000000, 0.0039179100000000 ] - [ 0.0013540100000000, 0.0005079900000000, 0.0012824900000000 ] - [ -0.0003795400000000, 0.0004097100000000, -0.0004609400000000 ] - [ -0.0000377200000000, 0.0003990300000000, -0.0004507000000000 ] - [ -0.0002222600000000, -0.0033794400000000, 0.0003166900000000 ] - [ -0.0000219400000000, -0.0020777200000000, 0.0000643900000000 ] - [ -0.0002021000000000, -0.0005177900000000, -0.0000650800000000 ] - [ -0.0002149000000000, -0.0004973900000000, -0.0000623600000000 ] - [ -0.0006862400000000, -0.0018907200000000, -0.0026080400000000 ] - [ 0.0007642300000000, -0.0000268500000000, -0.0009575300000000 ] - [ -0.0000283500000000, 0.0001679900000000, 0.0006831800000000 ] - [ 0.0003053700000000, 0.0002099500000000, 0.0002224800000000 ] - [ -0.0017215200000000, 0.0015523700000000, -0.0013864000000000 ] - [ 0.0002826700000000, 0.0007506400000000, -0.0005607800000000 ] - [ -0.0006821800000000, 0.0005495000000000, -0.0000664800000000 ] - [ -0.0006456500000000, 0.0005296800000000, -0.0001106400000000 ] - [ 0.0001394700000000, -0.0004796000000000, -0.0010455900000000 ] - [ -0.0001455000000000, -0.0001432000000000, -0.0000828100000000 ] - [ 0.0000660700000000, -0.0001893900000000, 0.0004369300000000 ] - [ -0.0000921600000000, -0.0000795400000000, 0.0001682400000000 ] - [ 0.0001532300000000, 0.0014410300000000, 0.0006893100000000 ] - [ -0.0000268100000000, 0.0003907700000000, 0.0000465500000000 ] - [ -0.0000072800000000, 0.0001425200000000, -0.0002548800000000 ] - [ 0.0000210100000000, 0.0000878200000000, -0.0001447700000000 ] - [ -0.0003981800000000, 0.0008924400000000, -0.0005077500000000 ] - [ 0.0006603300000000, 0.0006671600000000, 0.0000659400000000 ] - [ 0.0001777700000000, 0.0000008700000000, 0.0002987800000000 ] - [ 0.0002198300000000, 0.0000009000000000, 0.0003115500000000 ] - [ 0.0012712800000000, -0.0456530900000000, 0.0102470800000000 ] - [ -0.0000860200000000, -0.0003558600000000, 0.0003209600000000 ] - [ 0.0000010300000000, 0.0000843400000000, 0.0002531000000000 ] - [ -0.0000101000000000, 0.0001107700000000, 0.0002453200000000 ] - [ 0.0001345800000000, 0.0008600400000000, -0.0003224100000000 ] - [ -0.0000149300000000, 0.0004548400000000, -0.0002433800000000 ] - [ 0.0000121800000000, 0.0003781900000000, -0.0002403600000000 ] - [ 0.0000255500000000, 0.0002850900000000, -0.0002215700000000 ] - [ -0.0006227200000000, 0.0013671400000000, -0.0001479300000000 ] - [ -0.0006918100000000, 0.0010167500000000, -0.0002155600000000 ] - [ -0.0005652500000000, 0.0003187300000000, -0.0001905200000000 ] - [ -0.0005653000000000, 0.0003143500000000, -0.0001890300000000 ] - [ -0.0000670600000000, 0.0017232500000000, 0.0060832400000000 ] - [ -0.0000099300000000, -0.0000352700000000, 0.0006035100000000 ] - [ 0.0001238800000000, 0.0001687100000000, 0.0002360000000000 ] - [ 0.0001072300000000, 0.0002619800000000, 0.0003445000000000 ] - [ 0.0019390100000000, 0.0019759100000000, 0.0017122200000000 ] - [ -0.0009655200000000, 0.0001232000000000, 0.0010430200000000 ] - [ 0.0005766500000000, -0.0002504100000000, 0.0001590000000000 ] - [ 0.0005375400000000, -0.0002517900000000, 0.0001737700000000 ] - [ 0.0072580400000000, 0.0082983000000000, -0.0060801900000000 ] - [ -0.0005747000000000, -0.0000952000000000, -0.0004612500000000 ] - [ 0.0000199900000000, -0.0001663800000000, -0.0001556000000000 ] - [ -0.0000138900000000, -0.0001627000000000, -0.0001899700000000 ] - [ -0.0075475500000000, 0.0059551700000000, 0.0083150200000000 ] - [ 0.0002691900000000, -0.0005834700000000, -0.0000693600000000 ] - [ -0.0001839900000000, -0.0001359500000000, -0.0002790600000000 ] - [ -0.0001774900000000, -0.0001153800000000, -0.0002624800000000 ] - [ -0.0010795500000000, 0.0087246100000000, -0.0175772100000000 ] - [ 0.0000869000000000, -0.0005660300000000, 0.0001654200000000 ] - [ 0.0001502300000000, -0.0004181600000000, 0.0004836700000000 ] - [ 0.0001247600000000, -0.0003744800000000, 0.0004151900000000 ] - [ -0.0008379000000000, -0.0024835700000000, -0.0007375900000000 ] - [ 0.0052210000000000, -0.0041990700000000, -0.0018690600000000 ] - [ 0.0006762700000000, -0.0005699000000000, 0.0002148200000000 ] - [ 0.0006986000000000, -0.0005697700000000, 0.0002158500000000 ] - [ 0.0004600300000000, 0.0005086200000000, 0.0005937400000000 ] - [ 0.0012503700000000, 0.0004538800000000, 0.0008024200000000 ] - [ 0.0006349400000000, 0.0005012100000000, 0.0000801900000000 ] - [ 0.0008182200000000, 0.0004792900000000, 0.0000942900000000 ] - [ 0.0006341100000000, -0.0014834100000000, 0.0002845400000000 ] - [ 0.0004744900000000, -0.0000856700000000, 0.0000601600000000 ] - [ 0.0005745200000000, 0.0000570500000000, 0.0002384300000000 ] - [ 0.0004790400000000, 0.0001334600000000, 0.0002335000000000 ] - [ -0.0002110100000000, 0.0013756000000000, -0.0012821500000000 ] - [ -0.0003544300000000, 0.0006835300000000, -0.0005620800000000 ] - [ -0.0000467500000000, 0.0004797700000000, -0.0001867900000000 ] - [ -0.0001871400000000, 0.0004342500000000, -0.0002972300000000 ] - [ 0.0005173800000000, -0.0010838700000000, -0.0000061300000000 ] - [ -0.0003510200000000, -0.0008772100000000, -0.0003337200000000 ] - [ 0.0001991600000000, -0.0001305500000000, 0.0002211300000000 ] - [ 0.0001746500000000, -0.0000799900000000, 0.0002940400000000 ] - [ 0.0000014900000000, 0.0010103200000000, -0.0000164000000000 ] - [ -0.0001964500000000, 0.0005413600000000, -0.0001253700000000 ] - [ -0.0001131100000000, 0.0002867200000000, -0.0002865000000000 ] - [ -0.0001880700000000, 0.0001748100000000, -0.0002746600000000 ] - [ -0.0008767800000000, 0.0004760600000000, -0.0002157400000000 ] - [ -0.0007301300000000, -0.0000052000000000, -0.0002561800000000 ] - [ -0.0007421100000000, -0.0003754200000000, -0.0002384000000000 ] - [ -0.0007193800000000, -0.0004256100000000, -0.0002233100000000 ] - [ -0.0000762100000000, 0.0018917900000000, -0.0001758200000000 ] - [ -0.0000890800000000, 0.0004334000000000, 0.0000743600000000 ] - [ -0.0000329500000000, 0.0000335700000000, 0.0001429200000000 ] - [ -0.0000224000000000, 0.0000100700000000, 0.0001330200000000 ] - [ 0.0004225700000000, 0.0013650400000000, 0.0000627300000000 ] - [ -0.0004722300000000, 0.0002256700000000, -0.0003459400000000 ] - [ -0.0000954600000000, -0.0002536500000000, -0.0004187500000000 ] - [ -0.0001181300000000, -0.0002725400000000, -0.0004041800000000 ] - [ -0.0003662000000000, -0.0002923900000000, -0.0005318900000000 ] - [ -0.0007191100000000, -0.0002962100000000, -0.0006003600000000 ] - [ -0.0003376700000000, -0.0002257000000000, 0.0001058400000000 ] - [ -0.0008628100000000, -0.0003429400000000, 0.0002993500000000 ] - [ 0.0000055400000000, 0.0002092100000000, 0.0009966000000000 ] - [ -0.0000720000000000, -0.0001304800000000, 0.0004076500000000 ] - [ 0.0001444800000000, 0.0002091500000000, -0.0008113000000000 ] - [ -0.0000545800000000, -0.0001302100000000, 0.0000935100000000 ] - [ 0.0025590400000000, -0.0013032700000000, 0.0082870900000000 ] - [ -0.0001832100000000, -0.0005495200000000, -0.0000914500000000 ] - [ 0.0000406500000000, -0.0001964800000000, -0.0001396100000000 ] - [ 0.0000045500000000, -0.0001271000000000, -0.0001264800000000 ]- atom: 65 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0012855000000000, -0.0044337300000000, 0.0007551900000000 ] - [ 0.0010479100000000, -0.0006316700000000, -0.0000326000000000 ] - [ -0.0003806900000000, -0.0006483700000000, -0.0000112300000000 ] - [ -0.0003404600000000, -0.0006482100000000, 0.0000089800000000 ] - [ -0.0007249400000000, -0.0004716900000000, 0.0007008700000000 ] - [ -0.0002967100000000, -0.0000132200000000, 0.0001035300000000 ] - [ -0.0008166600000000, -0.0014128500000000, -0.0009574800000000 ] - [ -0.0003472700000000, 0.0000710700000000, -0.0001997500000000 ] - [ 0.0007656600000000, 0.0008688900000000, 0.0021362800000000 ] - [ 0.0002639900000000, -0.0004292100000000, 0.0002125100000000 ] - [ 0.0003140900000000, -0.0003216400000000, -0.0007034600000000 ] - [ 0.0003609000000000, -0.0004817400000000, -0.0002807200000000 ] - [ 0.0002624800000000, 0.0051428400000000, -0.0002438000000000 ] - [ 0.0002849600000000, 0.0018120400000000, 0.0000592100000000 ] - [ 0.0003542100000000, 0.0008018300000000, 0.0000735100000000 ] - [ 0.0003464100000000, 0.0007355300000000, 0.0000410200000000 ] - [ 0.0021820700000000, -0.0048821000000000, 0.0022905000000000 ] - [ 0.0005385400000000, -0.0008592000000000, -0.0007070900000000 ] - [ 0.0005063900000000, -0.0004868400000000, -0.0006864700000000 ] - [ 0.0005024800000000, -0.0004222900000000, -0.0007353300000000 ] - [ 0.0012480500000000, 0.0020644300000000, -0.0015204900000000 ] - [ 0.0002015500000000, 0.0005312300000000, -0.0009792100000000 ] - [ 0.0005436700000000, 0.0004363400000000, -0.0005374700000000 ] - [ 0.0004977000000000, 0.0003918500000000, -0.0006668700000000 ] - [ -0.0005945400000000, 0.0003033500000000, 0.0009657900000000 ] - [ -0.0004266300000000, 0.0000393600000000, 0.0008427800000000 ] - [ -0.0005379600000000, -0.0001175800000000, 0.0006758800000000 ] - [ -0.0005023100000000, -0.0001992500000000, 0.0007568000000000 ] - [ 0.0032627700000000, 0.0013937900000000, 0.0024796700000000 ] - [ -0.0024075100000000, -0.0000946600000000, 0.0006902600000000 ] - [ -0.0005049700000000, 0.0003129400000000, 0.0007585900000000 ] - [ -0.0005210100000000, 0.0003211800000000, 0.0007546400000000 ] - [ 0.0009618200000000, -0.0196235600000000, 0.0011854800000000 ] - [ -0.0003809000000000, -0.0019168700000000, -0.0004066800000000 ] - [ 0.0002338400000000, -0.0005471000000000, 0.0000742800000000 ] - [ 0.0001803300000000, -0.0004593600000000, 0.0000649900000000 ] - [ 0.0019206100000000, -0.0002144700000000, -0.0039530100000000 ] - [ -0.0017808100000000, 0.0001061900000000, -0.0013350800000000 ] - [ -0.0000477000000000, 0.0001933200000000, 0.0004145400000000 ] - [ -0.0003917500000000, 0.0002040300000000, 0.0004029900000000 ] - [ -0.0002084800000000, 0.0027875100000000, -0.0003810900000000 ] - [ -0.0004064000000000, 0.0014736700000000, -0.0001206500000000 ] - [ -0.0002266700000000, -0.0000841300000000, 0.0000183400000000 ] - [ -0.0002133700000000, -0.0001046400000000, 0.0000146000000000 ] - [ 0.0011218500000000, 0.0024862400000000, 0.0026752100000000 ] - [ -0.0003443100000000, 0.0006261400000000, 0.0010175900000000 ] - [ 0.0004585000000000, 0.0004311900000000, -0.0006307200000000 ] - [ 0.0001226300000000, 0.0003899000000000, -0.0001703100000000 ] - [ 0.0003261300000000, -0.0005147300000000, 0.0009738300000000 ] - [ -0.0016620400000000, 0.0002859600000000, 0.0001534000000000 ] - [ -0.0007054000000000, 0.0004868000000000, -0.0003401800000000 ] - [ -0.0007421400000000, 0.0005068100000000, -0.0002960000000000 ] - [ -0.0001957800000000, 0.0005458300000000, 0.0012725600000000 ] - [ 0.0000961800000000, 0.0002129500000000, 0.0003095900000000 ] - [ -0.0001188400000000, 0.0002594000000000, -0.0002143000000000 ] - [ 0.0000406700000000, 0.0001496900000000, 0.0000564600000000 ] - [ -0.0001062800000000, -0.0013743700000000, -0.0009238600000000 ] - [ 0.0000814600000000, -0.0003187600000000, -0.0002707900000000 ] - [ 0.0000586200000000, -0.0000711800000000, 0.0000290000000000 ] - [ 0.0000308100000000, -0.0000164300000000, -0.0000812100000000 ] - [ 0.0007642500000000, -0.0010234300000000, 0.0010047000000000 ] - [ -0.0002988200000000, -0.0007899800000000, 0.0004215000000000 ] - [ 0.0001843100000000, -0.0001292800000000, 0.0001861000000000 ] - [ 0.0001420300000000, -0.0001293600000000, 0.0001736300000000 ] - [ -0.0018539700000000, 0.0463452000000000, -0.0096125500000000 ] - [ 0.0000747300000000, 0.0006642400000000, 0.0001555100000000 ] - [ -0.0000161100000000, 0.0002243600000000, 0.0002185300000000 ] - [ -0.0000046500000000, 0.0001978800000000, 0.0002265000000000 ] - [ -0.0001208600000000, -0.0005534000000000, -0.0001461100000000 ] - [ 0.0000304400000000, -0.0001462000000000, -0.0002284700000000 ] - [ 0.0000031400000000, -0.0000698700000000, -0.0002354400000000 ] - [ -0.0000103000000000, 0.0000232700000000, -0.0002527000000000 ] - [ -0.0004909800000000, -0.0008419500000000, -0.0002534400000000 ] - [ -0.0004277100000000, -0.0004866400000000, -0.0001852500000000 ] - [ -0.0005512100000000, 0.0002112700000000, -0.0002153200000000 ] - [ -0.0005512700000000, 0.0002157600000000, -0.0002163800000000 ] - [ 0.0003212900000000, -0.0010696300000000, -0.0053672600000000 ] - [ 0.0002666500000000, 0.0006871100000000, 0.0001641400000000 ] - [ 0.0001286400000000, 0.0004807100000000, 0.0005299900000000 ] - [ 0.0001463000000000, 0.0003870800000000, 0.0004215500000000 ] - [ -0.0008461500000000, -0.0025337800000000, -0.0013237100000000 ] - [ 0.0021049300000000, -0.0006557400000000, -0.0006478700000000 ] - [ 0.0005402300000000, -0.0002806000000000, 0.0002444400000000 ] - [ 0.0005796900000000, -0.0002792800000000, 0.0002300300000000 ] - [ -0.0070898900000000, -0.0084500800000000, 0.0055010700000000 ] - [ 0.0005909500000000, -0.0002183800000000, -0.0000092300000000 ] - [ -0.0000048400000000, -0.0001434000000000, -0.0003189700000000 ] - [ 0.0000294700000000, -0.0001471000000000, -0.0002842300000000 ] - [ 0.0070915300000000, -0.0060368000000000, -0.0086955000000000 ] - [ -0.0006302600000000, 0.0004525000000000, -0.0004142800000000 ] - [ -0.0001781600000000, 0.0000075500000000, -0.0002078300000000 ] - [ -0.0001843100000000, -0.0000128500000000, -0.0002242700000000 ] - [ 0.0013472300000000, -0.0094434600000000, 0.0186150700000000 ] - [ 0.0001701600000000, -0.0000797900000000, 0.0006021900000000 ] - [ 0.0001019700000000, -0.0002307400000000, 0.0002824300000000 ] - [ 0.0001281300000000, -0.0002745300000000, 0.0003513800000000 ] - [ 0.0022141700000000, 0.0014626100000000, 0.0011456000000000 ] - [ -0.0037480500000000, 0.0032195400000000, 0.0022398500000000 ] - [ 0.0007109900000000, -0.0004682900000000, 0.0001899200000000 ] - [ 0.0006886700000000, -0.0004682100000000, 0.0001891200000000 ] - [ 0.0009284600000000, 0.0005300300000000, -0.0001915300000000 ] - [ 0.0001346000000000, 0.0005862600000000, -0.0003989200000000 ] - [ 0.0007518800000000, 0.0005375600000000, 0.0003252000000000 ] - [ 0.0005686100000000, 0.0005595800000000, 0.0003101400000000 ] - [ 0.0004853800000000, 0.0020159400000000, 0.0001039100000000 ] - [ 0.0006423100000000, 0.0006160500000000, 0.0003440800000000 ] - [ 0.0005418100000000, 0.0004732800000000, 0.0001661800000000 ] - [ 0.0006386100000000, 0.0003968000000000, 0.0001706500000000 ] - [ -0.0000426900000000, -0.0007262300000000, 0.0005086700000000 ] - [ 0.0001019800000000, -0.0000368300000000, -0.0002051800000000 ] - [ -0.0002056700000000, 0.0001672500000000, -0.0005810900000000 ] - [ -0.0000648200000000, 0.0002135200000000, -0.0004705600000000 ] - [ -0.0001561400000000, 0.0012091600000000, 0.0004932200000000 ] - [ 0.0007209000000000, 0.0009981500000000, 0.0008297300000000 ] - [ 0.0001625100000000, 0.0002580100000000, 0.0002638200000000 ] - [ 0.0001877400000000, 0.0002067000000000, 0.0001904000000000 ] - [ -0.0003661200000000, -0.0008845300000000, -0.0004728800000000 ] - [ -0.0001634400000000, -0.0004148600000000, -0.0003622700000000 ] - [ -0.0002491800000000, -0.0001590500000000, -0.0001997800000000 ] - [ -0.0001737000000000, -0.0000472600000000, -0.0002113100000000 ] - [ -0.0005111600000000, -0.0015153800000000, -0.0001875300000000 ] - [ -0.0006545400000000, -0.0010358400000000, -0.0001462600000000 ] - [ -0.0006458800000000, -0.0006627800000000, -0.0001684600000000 ] - [ -0.0006677500000000, -0.0006127500000000, -0.0001833800000000 ] - [ 0.0000217000000000, -0.0019702600000000, 0.0004094100000000 ] - [ 0.0000399900000000, -0.0005042200000000, 0.0001531500000000 ] - [ -0.0000188400000000, -0.0001058300000000, 0.0000812600000000 ] - [ -0.0000289800000000, -0.0000823200000000, 0.0000914700000000 ] - [ -0.0006758600000000, -0.0020184800000000, -0.0008234000000000 ] - [ 0.0002194300000000, -0.0008770300000000, -0.0004196500000000 ] - [ -0.0001574000000000, -0.0003957500000000, -0.0003497400000000 ] - [ -0.0001344700000000, -0.0003766500000000, -0.0003638400000000 ] - [ -0.0007501200000000, -0.0002395600000000, 0.0001254200000000 ] - [ -0.0003982500000000, -0.0002367700000000, 0.0001958700000000 ] - [ -0.0007807800000000, -0.0003070800000000, -0.0005129600000000 ] - [ -0.0002532200000000, -0.0001892900000000, -0.0007047200000000 ] - [ -0.0000212400000000, -0.0005179400000000, -0.0005268100000000 ] - [ 0.0000582900000000, -0.0001784000000000, 0.0000643400000000 ] - [ -0.0001605700000000, -0.0005180300000000, 0.0012861900000000 ] - [ 0.0000407000000000, -0.0001781500000000, 0.0003795000000000 ] - [ -0.0025136600000000, 0.0011801300000000, -0.0085281400000000 ] - [ 0.0002395400000000, 0.0004744400000000, -0.0001355400000000 ] - [ 0.0000108100000000, 0.0001245900000000, -0.0000867900000000 ] - [ 0.0000475700000000, 0.0000551100000000, -0.0000993300000000 ]- atom: 65 displacement: [ -0.0002094772357658, 0.0000000000000000, 0.0099978057236424 ] forces: - [ 0.0010152300000000, -0.0027101900000000, 0.0085732900000000 ] - [ -0.0003332000000000, 0.0004003500000000, 0.0036971300000000 ] - [ -0.0004180500000000, -0.0007056400000000, -0.0016563500000000 ] - [ -0.0003769300000000, -0.0007154100000000, -0.0013918600000000 ] - [ 0.0011465900000000, 0.0003863600000000, -0.0030970900000000 ] - [ -0.0013463600000000, 0.0003412700000000, -0.0013108700000000 ] - [ -0.0028298200000000, 0.0019696900000000, -0.0039505900000000 ] - [ 0.0010232200000000, 0.0010879000000000, -0.0010716700000000 ] - [ 0.0005895000000000, -0.0036208100000000, -0.0017438200000000 ] - [ 0.0003209300000000, -0.0011385000000000, 0.0001227900000000 ] - [ 0.0001466500000000, 0.0003288700000000, -0.0017734000000000 ] - [ 0.0004513300000000, -0.0002361700000000, -0.0008638700000000 ] - [ -0.0000650600000000, 0.0015925000000000, 0.0030779400000000 ] - [ 0.0007501300000000, 0.0009521900000000, 0.0017723400000000 ] - [ 0.0003499200000000, 0.0004788500000000, -0.0014976500000000 ] - [ 0.0002871000000000, 0.0004801200000000, -0.0012242800000000 ] - [ 0.0045237200000000, -0.0023840400000000, 0.0175458800000000 ] - [ 0.0011172800000000, -0.0004449500000000, 0.0000858300000000 ] - [ 0.0006003900000000, -0.0003380800000000, -0.0016628100000000 ] - [ 0.0003886400000000, -0.0003245300000000, -0.0013428700000000 ] - [ 0.0012283800000000, 0.0026163700000000, -0.0006473400000000 ] - [ 0.0005039200000000, 0.0005298300000000, -0.0004360600000000 ] - [ 0.0004267200000000, 0.0001835900000000, -0.0015226900000000 ] - [ 0.0005435000000000, 0.0002799100000000, -0.0011799900000000 ] - [ -0.0002128800000000, -0.0004532300000000, 0.0006067900000000 ] - [ -0.0008089500000000, -0.0004535700000000, 0.0007636300000000 ] - [ -0.0006827700000000, -0.0002750300000000, 0.0004348200000000 ] - [ -0.0003626700000000, -0.0003065700000000, 0.0004985800000000 ] - [ -0.0023654500000000, -0.0012727400000000, 0.0045745400000000 ] - [ 0.0009213200000000, -0.0002307100000000, 0.0024155300000000 ] - [ -0.0004740300000000, 0.0004200400000000, 0.0000274800000000 ] - [ -0.0005763400000000, 0.0004043500000000, 0.0001336100000000 ] - [ -0.0301411100000000, 0.0019502400000000, 0.0849358000000000 ] - [ 0.0001138800000000, -0.0002902600000000, 0.0020181700000000 ] - [ 0.0001064500000000, -0.0003211500000000, -0.0021554600000000 ] - [ 0.0002566000000000, -0.0003512200000000, -0.0015848500000000 ] - [ 0.0029153200000000, 0.0032305700000000, -0.0014289000000000 ] - [ -0.0026778900000000, 0.0024344400000000, 0.0003570900000000 ] - [ -0.0007520000000000, -0.0002466500000000, -0.0019547100000000 ] - [ 0.0001646000000000, -0.0000193400000000, -0.0015773400000000 ] - [ -0.0008407800000000, -0.0004745700000000, 0.0019368100000000 ] - [ 0.0005763400000000, -0.0003096600000000, 0.0016487200000000 ] - [ -0.0001017400000000, -0.0002512700000000, -0.0014966700000000 ] - [ -0.0004492000000000, -0.0002641600000000, -0.0013391400000000 ] - [ -0.0019414900000000, -0.0048575400000000, -0.0003819400000000 ] - [ 0.0009599100000000, -0.0002168500000000, 0.0007823200000000 ] - [ 0.0005525400000000, 0.0008213700000000, -0.0020046100000000 ] - [ -0.0001598100000000, 0.0006277300000000, -0.0010559300000000 ] - [ 0.0001861000000000, -0.0011373900000000, -0.0003797600000000 ] - [ -0.0016493300000000, -0.0001124900000000, -0.0005751100000000 ] - [ -0.0006568800000000, 0.0007127700000000, 0.0003753100000000 ] - [ -0.0004472500000000, 0.0007317400000000, 0.0003498700000000 ] - [ -0.0012053300000000, -0.0016155800000000, 0.0023445800000000 ] - [ 0.0004205600000000, -0.0002559800000000, 0.0002345700000000 ] - [ 0.0001704800000000, 0.0003710100000000, 0.0012795700000000 ] - [ -0.0001006700000000, 0.0001424100000000, 0.0005017000000000 ] - [ -0.0003629500000000, 0.0010584800000000, -0.0007218200000000 ] - [ -0.0000068300000000, 0.0000108200000000, -0.0006884000000000 ] - [ 0.0001419200000000, -0.0000720600000000, 0.0005717600000000 ] - [ 0.0000425200000000, 0.0000101300000000, 0.0003277100000000 ] - [ 0.0003750800000000, -0.0003327900000000, -0.0007461500000000 ] - [ -0.0005095900000000, -0.0007495000000000, -0.0004057900000000 ] - [ 0.0001904200000000, -0.0000290500000000, 0.0007455500000000 ] - [ 0.0003446500000000, -0.0000176600000000, 0.0007571500000000 ] - [ 0.0372809700000000, 0.0098696800000000, -0.1567856600000000 ] - [ -0.0001458900000000, 0.0002381400000000, -0.0011011100000000 ] - [ -0.0000889800000000, 0.0001718000000000, 0.0011486000000000 ] - [ -0.0000612900000000, 0.0001641200000000, 0.0009331200000000 ] - [ 0.0003197400000000, 0.0002453600000000, -0.0005322600000000 ] - [ -0.0001642900000000, 0.0001614700000000, -0.0003310900000000 ] - [ -0.0001777200000000, 0.0001564700000000, 0.0003640200000000 ] - [ 0.0000400100000000, 0.0001389800000000, 0.0001544500000000 ] - [ -0.0004215900000000, 0.0002130100000000, -0.0013561000000000 ] - [ -0.0002850800000000, 0.0002580200000000, -0.0013820600000000 ] - [ -0.0006508700000000, 0.0003023100000000, 0.0004188700000000 ] - [ -0.0006528200000000, 0.0003039700000000, 0.0004198600000000 ] - [ -0.0002797400000000, 0.0085974500000000, 0.0093592800000000 ] - [ 0.0000848600000000, 0.0005922900000000, -0.0000718900000000 ] - [ 0.0000286100000000, 0.0001213000000000, 0.0013277200000000 ] - [ 0.0001129800000000, 0.0001975300000000, 0.0009097900000000 ] - [ 0.0018379700000000, 0.0012593500000000, -0.0013015800000000 ] - [ 0.0001653400000000, -0.0001639900000000, -0.0004109300000000 ] - [ 0.0004007300000000, -0.0002748100000000, 0.0009293400000000 ] - [ 0.0005151000000000, -0.0002702500000000, 0.0008126400000000 ] - [ -0.0034998400000000, -0.0060913200000000, -0.0013776200000000 ] - [ 0.0004450100000000, -0.0003682900000000, -0.0016653900000000 ] - [ -0.0000302500000000, -0.0000725100000000, 0.0006202300000000 ] - [ -0.0000896400000000, -0.0001064700000000, 0.0004267700000000 ] - [ -0.0062244900000000, 0.0074105000000000, 0.0024352700000000 ] - [ -0.0000024700000000, 0.0001802200000000, -0.0010575200000000 ] - [ -0.0000454000000000, -0.0001182700000000, 0.0003926600000000 ] - [ -0.0001424700000000, -0.0000935200000000, 0.0002643400000000 ] - [ 0.0022790700000000, -0.0195765600000000, 0.0167785200000000 ] - [ -0.0000974900000000, -0.0006146200000000, -0.0001581200000000 ] - [ 0.0001227900000000, -0.0002217300000000, 0.0012279200000000 ] - [ 0.0001198200000000, -0.0002194300000000, 0.0009610900000000 ] - [ 0.0019047900000000, -0.0011835200000000, -0.0015169300000000 ] - [ -0.0101709000000000, -0.0035147800000000, -0.0006333100000000 ] - [ 0.0007823100000000, -0.0003916100000000, 0.0007968300000000 ] - [ 0.0009008300000000, -0.0003716500000000, 0.0008613800000000 ] - [ -0.0000607800000000, 0.0010165800000000, 0.0001359600000000 ] - [ 0.0016289800000000, 0.0010259500000000, 0.0005586700000000 ] - [ 0.0013127100000000, -0.0000339100000000, 0.0008464300000000 ] - [ 0.0005304900000000, 0.0002738500000000, 0.0007305300000000 ] - [ -0.0014723100000000, -0.0000358300000000, 0.0029531000000000 ] - [ 0.0010936300000000, 0.0002548100000000, -0.0001082600000000 ] - [ 0.0006947800000000, 0.0002115100000000, 0.0012885900000000 ] - [ 0.0001938900000000, 0.0002022900000000, 0.0008811900000000 ] - [ -0.0001843300000000, -0.0004595600000000, -0.0002121700000000 ] - [ 0.0001824300000000, 0.0000636100000000, -0.0005946300000000 ] - [ -0.0000455500000000, 0.0005761800000000, 0.0002483800000000 ] - [ -0.0002651200000000, 0.0004860300000000, 0.0000278800000000 ] - [ -0.0014757300000000, -0.0003206400000000, 0.0007290600000000 ] - [ 0.0032748200000000, -0.0008860300000000, 0.0015434400000000 ] - [ 0.0005057600000000, 0.0001840000000000, 0.0009798400000000 ] - [ 0.0000660900000000, 0.0001433000000000, 0.0008468200000000 ] - [ 0.0000088800000000, 0.0003936800000000, -0.0003516800000000 ] - [ -0.0004346400000000, 0.0001436500000000, -0.0004660100000000 ] - [ -0.0002495800000000, -0.0000752600000000, 0.0002378000000000 ] - [ -0.0000414200000000, -0.0000227400000000, 0.0000783600000000 ] - [ -0.0011051800000000, 0.0000254000000000, -0.0007101100000000 ] - [ -0.0006655000000000, -0.0003815300000000, -0.0006255400000000 ] - [ -0.0004303100000000, -0.0007214500000000, 0.0003341000000000 ] - [ -0.0006605400000000, -0.0006328200000000, 0.0002140600000000 ] - [ 0.0002705800000000, -0.0004746600000000, -0.0013890200000000 ] - [ -0.0002667700000000, -0.0001387700000000, -0.0005899700000000 ] - [ 0.0000082000000000, -0.0000061300000000, 0.0007325300000000 ] - [ 0.0000411000000000, -0.0000195800000000, 0.0006109100000000 ] - [ 0.0003215200000000, 0.0006202100000000, -0.0016584800000000 ] - [ -0.0004770900000000, 0.0000811200000000, -0.0010445700000000 ] - [ -0.0001890300000000, -0.0004244600000000, 0.0002721900000000 ] - [ -0.0001044100000000, -0.0003974900000000, 0.0001431800000000 ] - [ -0.0011973000000000, -0.0007419000000000, 0.0004248700000000 ] - [ -0.0002826700000000, -0.0006567100000000, 0.0003595500000000 ] - [ 0.0000411700000000, 0.0001696600000000, 0.0004869100000000 ] - [ -0.0010785600000000, -0.0000558000000000, 0.0005210800000000 ] - [ 0.0000576900000000, 0.0008921700000000, 0.0016801600000000 ] - [ -0.0000501500000000, -0.0000128600000000, 0.0003909500000000 ] - [ -0.0002777400000000, -0.0009168800000000, 0.0016776400000000 ] - [ -0.0000463600000000, -0.0003274300000000, 0.0003877600000000 ] - [ 0.0061605000000000, 0.0071664800000000, 0.0161040700000000 ] - [ -0.0006267700000000, 0.0000884800000000, -0.0003546700000000 ] - [ 0.0000807900000000, -0.0001385100000000, 0.0007492400000000 ] - [ 0.0001077200000000, -0.0000851900000000, 0.0004416700000000 ]- atom: 65 displacement: [ 0.0002094772357658, 0.0000000000000000, -0.0099978057236424 ] forces: - [ -0.0017166700000000, 0.0014611500000000, -0.0086005000000000 ] - [ -0.0003905200000000, -0.0016407500000000, -0.0037018500000000 ] - [ -0.0002959000000000, -0.0005217100000000, 0.0016688400000000 ] - [ -0.0003353100000000, -0.0005121800000000, 0.0014047800000000 ] - [ -0.0018737100000000, 0.0008452400000000, 0.0031216100000000 ] - [ 0.0006396700000000, 0.0008898100000000, 0.0013218400000000 ] - [ 0.0021060500000000, -0.0007317600000000, 0.0039567600000000 ] - [ -0.0017333600000000, 0.0001405100000000, 0.0010930500000000 ] - [ 0.0001330500000000, 0.0023811000000000, 0.0017404000000000 ] - [ 0.0003908600000000, -0.0000889200000000, -0.0001246600000000 ] - [ 0.0005680000000000, -0.0015652200000000, 0.0017694100000000 ] - [ 0.0002615400000000, -0.0009944800000000, 0.0008546400000000 ] - [ 0.0007757900000000, -0.0003633100000000, -0.0030950400000000 ] - [ -0.0000352800000000, 0.0002740700000000, -0.0017855700000000 ] - [ 0.0003640200000000, 0.0007495000000000, 0.0014918000000000 ] - [ 0.0004259800000000, 0.0007481300000000, 0.0012187300000000 ] - [ -0.0039642300000000, 0.0020309100000000, -0.0204776000000000 ] - [ -0.0000958500000000, -0.0002484300000000, -0.0016059900000000 ] - [ 0.0004235600000000, -0.0003568400000000, 0.0001511300000000 ] - [ 0.0006334700000000, -0.0003700900000000, -0.0001687200000000 ] - [ -0.0002016200000000, -0.0019185800000000, -0.0008612200000000 ] - [ 0.0005199800000000, 0.0001631100000000, -0.0010751800000000 ] - [ 0.0005971300000000, 0.0005122000000000, 0.0000107300000000 ] - [ 0.0004793200000000, 0.0004151300000000, -0.0003339300000000 ] - [ -0.0008111500000000, -0.0002406500000000, 0.0009055600000000 ] - [ -0.0002129700000000, -0.0002405800000000, 0.0007494300000000 ] - [ -0.0003407500000000, -0.0004195000000000, 0.0010825600000000 ] - [ -0.0006603800000000, -0.0003878100000000, 0.0010199700000000 ] - [ 0.0013653800000000, 0.0019984700000000, -0.0030311600000000 ] - [ -0.0019501300000000, 0.0009338800000000, -0.0009009300000000 ] - [ -0.0005491000000000, 0.0002741900000000, 0.0014888000000000 ] - [ -0.0004454700000000, 0.0002899900000000, 0.0013822600000000 ] - [ 0.0277187000000000, -0.0023030000000000, -0.0793966400000000 ] - [ 0.0003277000000000, -0.0003016600000000, -0.0019538200000000 ] - [ 0.0003236200000000, -0.0002807500000000, 0.0022137800000000 ] - [ 0.0001711000000000, -0.0002504000000000, 0.0016393800000000 ] - [ -0.0033621800000000, -0.0026536500000000, 0.0013564100000000 ] - [ 0.0022597100000000, -0.0018447000000000, -0.0004165300000000 ] - [ 0.0003213200000000, 0.0008467000000000, 0.0019047700000000 ] - [ -0.0005916300000000, 0.0006209100000000, 0.0015317200000000 ] - [ 0.0004116500000000, -0.0001318400000000, -0.0019801200000000 ] - [ -0.0010041000000000, -0.0002946500000000, -0.0016961400000000 ] - [ -0.0003279300000000, -0.0003502300000000, 0.0014481100000000 ] - [ 0.0000222400000000, -0.0003372600000000, 0.0012902600000000 ] - [ 0.0023867400000000, 0.0054969900000000, 0.0004112900000000 ] - [ -0.0005322500000000, 0.0008208000000000, -0.0007458300000000 ] - [ -0.0001215300000000, -0.0002184000000000, 0.0020585000000000 ] - [ 0.0005868300000000, -0.0000257300000000, 0.0011127100000000 ] - [ -0.0015747200000000, 0.0021823400000000, -0.0000177100000000 ] - [ 0.0002616700000000, 0.0011520800000000, 0.0001754200000000 ] - [ -0.0007315000000000, 0.0003246600000000, -0.0007811500000000 ] - [ -0.0009393900000000, 0.0003060500000000, -0.0007549600000000 ] - [ 0.0011679400000000, 0.0017057000000000, -0.0021335200000000 ] - [ -0.0004746600000000, 0.0003292100000000, -0.0000063300000000 ] - [ -0.0002222200000000, -0.0002981600000000, -0.0010505300000000 ] - [ 0.0000490900000000, -0.0000708400000000, -0.0002771600000000 ] - [ 0.0004196900000000, -0.0009893000000000, 0.0005103100000000 ] - [ 0.0000574900000000, 0.0000624900000000, 0.0004683300000000 ] - [ -0.0000905400000000, 0.0001435700000000, -0.0007974900000000 ] - [ 0.0000087400000000, 0.0000617500000000, -0.0005542300000000 ] - [ -0.0000128500000000, 0.0002087000000000, 0.0012275000000000 ] - [ 0.0008708500000000, 0.0006254400000000, 0.0008902500000000 ] - [ 0.0001721100000000, -0.0000995300000000, -0.0002589700000000 ] - [ 0.0000166200000000, -0.0001109600000000, -0.0002708300000000 ] - [ -0.0341230100000000, -0.0099088700000000, 0.1527268100000000 ] - [ 0.0001293200000000, 0.0000692000000000, 0.0015801400000000 ] - [ 0.0000740500000000, 0.0001373400000000, -0.0006757300000000 ] - [ 0.0000468200000000, 0.0001449800000000, -0.0004602400000000 ] - [ -0.0003033700000000, 0.0000645000000000, 0.0000563500000000 ] - [ 0.0001796200000000, 0.0001482100000000, -0.0001432000000000 ] - [ 0.0001937800000000, 0.0001524700000000, -0.0008360800000000 ] - [ -0.0000252300000000, 0.0001703600000000, -0.0006257800000000 ] - [ -0.0006959700000000, 0.0003207700000000, 0.0009525500000000 ] - [ -0.0008319100000000, 0.0002739400000000, 0.0009796100000000 ] - [ -0.0004652700000000, 0.0002284000000000, -0.0008237000000000 ] - [ -0.0004641200000000, 0.0002267800000000, -0.0008243800000000 ] - [ 0.0005412900000000, -0.0081055300000000, -0.0087641300000000 ] - [ 0.0001671400000000, 0.0000539000000000, 0.0008454400000000 ] - [ 0.0002235400000000, 0.0005267500000000, -0.0005599400000000 ] - [ 0.0001403300000000, 0.0004511400000000, -0.0001436800000000 ] - [ -0.0007210300000000, -0.0017844600000000, 0.0017294900000000 ] - [ 0.0009412100000000, -0.0003641100000000, 0.0008269000000000 ] - [ 0.0007159700000000, -0.0002560800000000, -0.0005250800000000 ] - [ 0.0006026100000000, -0.0002605900000000, -0.0004085100000000 ] - [ 0.0035151400000000, 0.0057865500000000, 0.0009667200000000 ] - [ -0.0004310000000000, 0.0000591600000000, 0.0012002700000000 ] - [ 0.0000457000000000, -0.0002359200000000, -0.0010931700000000 ] - [ 0.0001048100000000, -0.0002023200000000, -0.0009005100000000 ] - [ 0.0058228900000000, -0.0074998500000000, -0.0029363600000000 ] - [ -0.0003614100000000, -0.0003127700000000, 0.0005684800000000 ] - [ -0.0003171600000000, -0.0000086000000000, -0.0008795200000000 ] - [ -0.0002190200000000, -0.0000336500000000, -0.0007502100000000 ] - [ -0.0020095800000000, 0.0185783300000000, -0.0157646600000000 ] - [ 0.0003495600000000, -0.0000324200000000, 0.0009225500000000 ] - [ 0.0001296400000000, -0.0004276300000000, -0.0004622100000000 ] - [ 0.0001328700000000, -0.0004297200000000, -0.0001936700000000 ] - [ -0.0005463500000000, 0.0001450900000000, 0.0019022900000000 ] - [ 0.0115859400000000, 0.0024859600000000, 0.0009769600000000 ] - [ 0.0006057200000000, -0.0006461900000000, -0.0003909800000000 ] - [ 0.0004853000000000, -0.0006661200000000, -0.0004571400000000 ] - [ 0.0014538800000000, 0.0000169400000000, 0.0002755800000000 ] - [ -0.0002469200000000, 0.0000070100000000, -0.0001496000000000 ] - [ 0.0000767400000000, 0.0010703600000000, -0.0004404300000000 ] - [ 0.0008552800000000, 0.0007643000000000, -0.0003256300000000 ] - [ 0.0025742500000000, 0.0005620200000000, -0.0025359100000000 ] - [ 0.0000259200000000, 0.0002745800000000, 0.0005055900000000 ] - [ 0.0004204800000000, 0.0003191200000000, -0.0008874900000000 ] - [ 0.0009254000000000, 0.0003284500000000, -0.0004763700000000 ] - [ -0.0000662100000000, 0.0011105500000000, -0.0005472100000000 ] - [ -0.0004359900000000, 0.0005868300000000, -0.0001688600000000 ] - [ -0.0002067200000000, 0.0000736500000000, -0.0010157000000000 ] - [ 0.0000127100000000, 0.0001630700000000, -0.0007960400000000 ] - [ 0.0018507500000000, 0.0004518200000000, -0.0002383100000000 ] - [ -0.0029351700000000, 0.0010189500000000, -0.0010557900000000 ] - [ -0.0001427200000000, -0.0000561900000000, -0.0004929900000000 ] - [ 0.0002948000000000, -0.0000153100000000, -0.0003610400000000 ] - [ -0.0003705400000000, -0.0002655800000000, -0.0001289800000000 ] - [ 0.0000738100000000, -0.0000150000000000, -0.0000158300000000 ] - [ -0.0001131300000000, 0.0002033300000000, -0.0007241400000000 ] - [ -0.0003200800000000, 0.0001508500000000, -0.0005650900000000 ] - [ -0.0002836300000000, -0.0010618000000000, 0.0003027100000000 ] - [ -0.0007221700000000, -0.0006547500000000, 0.0002188400000000 ] - [ -0.0009585000000000, -0.0003151200000000, -0.0007399100000000 ] - [ -0.0007263600000000, -0.0004044800000000, -0.0006189300000000 ] - [ -0.0003199900000000, 0.0004066500000000, 0.0016110200000000 ] - [ 0.0002153200000000, 0.0000690800000000, 0.0008164000000000 ] - [ -0.0000592700000000, -0.0000660400000000, -0.0005067700000000 ] - [ -0.0000923300000000, -0.0000523700000000, -0.0003848500000000 ] - [ -0.0005741300000000, -0.0012683900000000, 0.0008881900000000 ] - [ 0.0002249700000000, -0.0007307500000000, 0.0002775500000000 ] - [ -0.0000631100000000, -0.0002231900000000, -0.0010395200000000 ] - [ -0.0001483100000000, -0.0002504500000000, -0.0009099500000000 ] - [ 0.0000848700000000, 0.0002151500000000, -0.0008286500000000 ] - [ -0.0008363600000000, 0.0001288600000000, -0.0007630700000000 ] - [ -0.0011537800000000, -0.0006973700000000, -0.0008904500000000 ] - [ -0.0000394200000000, -0.0004741600000000, -0.0009274000000000 ] - [ -0.0000736200000000, -0.0012115300000000, -0.0012148300000000 ] - [ 0.0000350000000000, -0.0002970500000000, 0.0000856600000000 ] - [ 0.0002615700000000, 0.0006056300000000, -0.0012021500000000 ] - [ 0.0000320200000000, 0.0000186400000000, 0.0000827800000000 ] - [ -0.0059836400000000, -0.0070880300000000, -0.0160259600000000 ] - [ 0.0006811500000000, -0.0001622400000000, 0.0001252800000000 ] - [ -0.0000291100000000, 0.0000680000000000, -0.0009770200000000 ] - [ -0.0000562200000000, 0.0000141100000000, -0.0006671600000000 ]- atom: 73 displacement: [ 0.0099999598693730, 0.0000000000000000, -0.0000283303887883 ] forces: - [ 0.0026985100000000, 0.0034517000000000, -0.0011981200000000 ] - [ -0.0025102500000000, -0.0016901800000000, -0.0003780600000000 ] - [ -0.0002214800000000, -0.0005937300000000, 0.0002426300000000 ] - [ -0.0004753300000000, -0.0006169400000000, 0.0001652700000000 ] - [ 0.0001906500000000, 0.0006741000000000, -0.0001060200000000 ] - [ -0.0008446000000000, 0.0006347500000000, 0.0002706100000000 ] - [ 0.0002130900000000, 0.0006873500000000, 0.0005215300000000 ] - [ -0.0008497300000000, 0.0006261700000000, -0.0001643000000000 ] - [ -0.0009270800000000, -0.0015930000000000, 0.0021440800000000 ] - [ 0.0000236800000000, 0.0006873800000000, -0.0015802800000000 ] - [ 0.0002121500000000, -0.0007681800000000, -0.0004217700000000 ] - [ 0.0004585800000000, -0.0003346300000000, 0.0010169800000000 ] - [ -0.0057043300000000, -0.0027848000000000, -0.0051175600000000 ] - [ 0.0106921000000000, -0.0010903600000000, -0.0012218600000000 ] - [ 0.0002961500000000, 0.0006224900000000, 0.0003066100000000 ] - [ 0.0004102600000000, 0.0006318300000000, 0.0001040100000000 ] - [ 0.0002324900000000, -0.0004012500000000, -0.0010494500000000 ] - [ 0.0006602300000000, -0.0000116700000000, -0.0006796500000000 ] - [ 0.0004383500000000, -0.0003558900000000, -0.0006197500000000 ] - [ 0.0005862000000000, -0.0003382800000000, -0.0007268300000000 ] - [ -0.0009890000000000, 0.0014555400000000, 0.0010554300000000 ] - [ 0.0008432600000000, -0.0008726000000000, -0.0019359800000000 ] - [ 0.0004518400000000, 0.0003311800000000, -0.0008748700000000 ] - [ 0.0005570100000000, 0.0003137200000000, -0.0004909400000000 ] - [ 0.0009585100000000, -0.0004071500000000, 0.0002620500000000 ] - [ -0.0015093700000000, -0.0005980400000000, 0.0011612800000000 ] - [ -0.0000954100000000, -0.0002947600000000, 0.0011731200000000 ] - [ -0.0007814700000000, -0.0004022000000000, 0.0006248000000000 ] - [ 0.0011351400000000, -0.0008869900000000, 0.0003505300000000 ] - [ -0.0013919500000000, 0.0008113100000000, 0.0003464500000000 ] - [ -0.0004331700000000, 0.0003443400000000, 0.0008504000000000 ] - [ -0.0005821700000000, 0.0003617100000000, 0.0008458600000000 ] - [ -0.0009381000000000, -0.0003278300000000, -0.0000400800000000 ] - [ 0.0009282500000000, 0.0002394600000000, -0.0005076700000000 ] - [ 0.0001295000000000, -0.0002662300000000, 0.0001329800000000 ] - [ 0.0003131300000000, -0.0002567700000000, 0.0003149500000000 ] - [ 0.0032073500000000, 0.0002152200000000, -0.0005654800000000 ] - [ -0.0029194100000000, 0.0012915000000000, 0.0005316000000000 ] - [ 0.0002290700000000, 0.0002308900000000, 0.0003137600000000 ] - [ -0.0006339600000000, 0.0003655100000000, 0.0000817100000000 ] - [ 0.0274324000000000, -0.0028144400000000, -0.0170305400000000 ] - [ -0.0051979700000000, -0.0004306300000000, -0.0014482900000000 ] - [ 0.0001536200000000, -0.0003270700000000, 0.0001362200000000 ] - [ -0.0005478400000000, -0.0003560600000000, 0.0003300200000000 ] - [ -0.0015988800000000, 0.0015214000000000, -0.0015797600000000 ] - [ 0.0003751200000000, -0.0017685800000000, 0.0022849400000000 ] - [ -0.0001340700000000, 0.0003772600000000, 0.0006848700000000 ] - [ 0.0005006400000000, 0.0001386400000000, -0.0001019400000000 ] - [ 0.0011119000000000, 0.0018150600000000, 0.0008629900000000 ] - [ -0.0026658000000000, -0.0017351000000000, -0.0019672900000000 ] - [ -0.0005766400000000, 0.0005278400000000, -0.0002889600000000 ] - [ -0.0008495000000000, 0.0004696800000000, -0.0002709300000000 ] - [ -0.0001597700000000, 0.0001899400000000, 0.0004439200000000 ] - [ 0.0001518600000000, -0.0002896700000000, -0.0002335500000000 ] - [ -0.0001636800000000, 0.0001477300000000, -0.0001684000000000 ] - [ 0.0000956000000000, -0.0000813600000000, 0.0002625500000000 ] - [ 0.0014955500000000, -0.0021438400000000, 0.0031177800000000 ] - [ 0.0009280000000000, 0.0012921200000000, -0.0009214200000000 ] - [ -0.0000127400000000, 0.0000252000000000, -0.0003347800000000 ] - [ 0.0000604700000000, 0.0000545600000000, -0.0000901100000000 ] - [ -0.0041729700000000, 0.0002299800000000, 0.0001906700000000 ] - [ 0.0017943300000000, 0.0001100200000000, 0.0005082300000000 ] - [ 0.0000559900000000, -0.0000527900000000, 0.0001416200000000 ] - [ 0.0002870000000000, -0.0000296800000000, 0.0001971300000000 ] - [ 0.0002252800000000, 0.0000877300000000, 0.0003834400000000 ] - [ -0.0000940400000000, 0.0000216000000000, 0.0005150200000000 ] - [ 0.0000121600000000, 0.0001476200000000, 0.0001411200000000 ] - [ -0.0000088100000000, 0.0001475700000000, 0.0001388800000000 ] - [ -0.0010636800000000, 0.0000817200000000, -0.0022991000000000 ] - [ 0.0007608800000000, 0.0002376800000000, 0.0003187600000000 ] - [ -0.0002152500000000, 0.0001384900000000, -0.0001078900000000 ] - [ 0.0002328000000000, 0.0002352900000000, -0.0006028600000000 ] - [ -0.0615079600000000, 0.0037395700000000, 0.0368896700000000 ] - [ 0.0025838700000000, 0.0001876400000000, -0.0002661100000000 ] - [ -0.0006349800000000, 0.0002663300000000, -0.0003095400000000 ] - [ -0.0004593600000000, 0.0002637100000000, -0.0002923900000000 ] - [ 0.0001712100000000, -0.0001638700000000, 0.0007826800000000 ] - [ 0.0004243600000000, 0.0008136900000000, 0.0000511500000000 ] - [ 0.0001397300000000, 0.0002786900000000, 0.0001834900000000 ] - [ 0.0001116900000000, 0.0003522500000000, 0.0003956900000000 ] - [ 0.0017011600000000, -0.0008339300000000, 0.0006426800000000 ] - [ 0.0004457800000000, 0.0036811900000000, -0.0014147100000000 ] - [ 0.0006415500000000, -0.0002867500000000, 0.0000741600000000 ] - [ 0.0005037800000000, -0.0002413500000000, 0.0001488700000000 ] - [ -0.0011285800000000, 0.0012359700000000, 0.0010298700000000 ] - [ 0.0015228300000000, -0.0017049000000000, -0.0005912900000000 ] - [ -0.0000348300000000, -0.0001359100000000, -0.0003987600000000 ] - [ 0.0000674900000000, -0.0001753100000000, -0.0002821300000000 ] - [ 0.0005789500000000, 0.0003201300000000, -0.0001916700000000 ] - [ -0.0007923300000000, -0.0009569400000000, 0.0002012500000000 ] - [ -0.0001292600000000, -0.0000592000000000, -0.0002682000000000 ] - [ -0.0002536400000000, -0.0001085400000000, -0.0003763900000000 ] - [ 0.0003031400000000, -0.0013081800000000, 0.0001147000000000 ] - [ 0.0000778000000000, 0.0000142600000000, 0.0006693200000000 ] - [ 0.0001251900000000, -0.0003634300000000, 0.0003815400000000 ] - [ 0.0001325700000000, -0.0003002500000000, 0.0002466700000000 ] - [ -0.0001745000000000, -0.0008981300000000, 0.0000493600000000 ] - [ 0.0014029200000000, -0.0003359200000000, 0.0004728000000000 ] - [ 0.0006003100000000, -0.0005586600000000, 0.0001055700000000 ] - [ 0.0007526400000000, -0.0005208400000000, 0.0001630100000000 ] - [ -0.0001642600000000, 0.0009104800000000, -0.0001907500000000 ] - [ 0.0013325200000000, 0.0003496500000000, 0.0004413100000000 ] - [ 0.0004160800000000, 0.0005992800000000, 0.0000779800000000 ] - [ 0.0009348600000000, 0.0004646700000000, 0.0001616000000000 ] - [ 0.0009563400000000, 0.0002980300000000, -0.0000170500000000 ] - [ 0.0002435900000000, 0.0001329600000000, 0.0004088200000000 ] - [ 0.0006761400000000, 0.0002475100000000, 0.0001960500000000 ] - [ 0.0004589100000000, 0.0002506900000000, 0.0000773900000000 ] - [ -0.0010317300000000, 0.0010801100000000, 0.0008203300000000 ] - [ 0.0014062200000000, -0.0006186300000000, -0.0023056500000000 ] - [ -0.0002817400000000, 0.0004160100000000, -0.0007230900000000 ] - [ 0.0000333100000000, 0.0002673900000000, -0.0002647900000000 ] - [ -0.0004428900000000, -0.0001636500000000, 0.0002857200000000 ] - [ 0.0007220500000000, -0.0000009500000000, 0.0002626100000000 ] - [ 0.0000462800000000, 0.0000594300000000, 0.0001377500000000 ] - [ 0.0002931500000000, 0.0000578900000000, 0.0002068100000000 ] - [ 0.0008069100000000, -0.0000975300000000, 0.0005631300000000 ] - [ -0.0007318600000000, 0.0010468300000000, -0.0024164300000000 ] - [ -0.0000214300000000, 0.0000639000000000, -0.0004127800000000 ] - [ -0.0003505000000000, 0.0001402000000000, -0.0001401200000000 ] - [ 0.0010502700000000, -0.0003865600000000, -0.0003783100000000 ] - [ -0.0010452500000000, -0.0023890900000000, 0.0106021600000000 ] - [ -0.0005401800000000, -0.0005308500000000, -0.0001874700000000 ] - [ -0.0008957700000000, -0.0004550800000000, -0.0004234000000000 ] - [ 0.0179396400000000, -0.0112582600000000, -0.0111911000000000 ] - [ 0.0030769000000000, 0.0011126500000000, 0.0017993400000000 ] - [ -0.0000713900000000, -0.0000333900000000, 0.0000641400000000 ] - [ 0.0000012900000000, -0.0000169200000000, -0.0000150000000000 ] - [ 0.0063351900000000, 0.0120332200000000, -0.0125560100000000 ] - [ 0.0013930900000000, -0.0006304000000000, 0.0008032700000000 ] - [ -0.0001987900000000, -0.0003243300000000, -0.0004276100000000 ] - [ -0.0000496500000000, -0.0003132700000000, -0.0005389200000000 ] - [ -0.0011265700000000, -0.0002811000000000, -0.0003727000000000 ] - [ -0.0000085300000000, -0.0004021400000000, -0.0003207300000000 ] - [ -0.0011243200000000, -0.0003144800000000, -0.0002839100000000 ] - [ -0.0000105700000000, -0.0002137300000000, -0.0003091700000000 ] - [ 0.0000416800000000, -0.0003746900000000, 0.0008328800000000 ] - [ 0.0001169000000000, 0.0001529400000000, -0.0002843200000000 ] - [ 0.0001235600000000, -0.0003478000000000, -0.0004041400000000 ] - [ -0.0000457800000000, 0.0000037400000000, 0.0005090700000000 ] - [ 0.0000501400000000, 0.0006081100000000, -0.0003735300000000 ] - [ 0.0002091000000000, -0.0002749600000000, 0.0001059300000000 ] - [ -0.0000155700000000, -0.0000336900000000, -0.0001362200000000 ] - [ 0.0000504800000000, -0.0000880600000000, -0.0002447100000000 ]- atom: 73 displacement: [ -0.0099999598693730, 0.0000000000000000, 0.0000283303887883 ] forces: - [ -0.0034496300000000, -0.0046341000000000, 0.0011835900000000 ] - [ 0.0017986100000000, 0.0004472600000000, 0.0003789200000000 ] - [ -0.0004921100000000, -0.0006339200000000, -0.0002272900000000 ] - [ -0.0002370900000000, -0.0006109100000000, -0.0001501000000000 ] - [ -0.0009032600000000, 0.0005554200000000, 0.0001157600000000 ] - [ 0.0001318300000000, 0.0005954600000000, -0.0002559800000000 ] - [ -0.0009328800000000, 0.0005485100000000, -0.0005056800000000 ] - [ 0.0001398700000000, 0.0006030700000000, 0.0001718500000000 ] - [ 0.0016258800000000, 0.0003601700000000, -0.0021493200000000 ] - [ 0.0007121500000000, -0.0019307800000000, 0.0015750100000000 ] - [ 0.0004965700000000, -0.0004601400000000, 0.0004177000000000 ] - [ 0.0002600400000000, -0.0008913900000000, -0.0010114600000000 ] - [ 0.0062222300000000, 0.0039896800000000, 0.0050717600000000 ] - [ -0.0091552600000000, 0.0020688100000000, 0.0009220900000000 ] - [ 0.0004157000000000, 0.0006064600000000, -0.0003093800000000 ] - [ 0.0003045700000000, 0.0005965500000000, -0.0001052200000000 ] - [ 0.0007845000000000, -0.0002901600000000, -0.0004678300000000 ] - [ 0.0003663300000000, -0.0006774200000000, -0.0008365300000000 ] - [ 0.0005840000000000, -0.0003389300000000, -0.0008929700000000 ] - [ 0.0004372600000000, -0.0003565100000000, -0.0007855900000000 ] - [ 0.0020049400000000, -0.0007630000000000, -0.0025782200000000 ] - [ 0.0002112800000000, 0.0015709500000000, 0.0004174100000000 ] - [ 0.0005699400000000, 0.0003633300000000, -0.0006373900000000 ] - [ 0.0004666300000000, 0.0003803600000000, -0.0010199900000000 ] - [ -0.0019785200000000, -0.0002871300000000, 0.0012440200000000 ] - [ 0.0004817700000000, -0.0001023100000000, 0.0003619200000000 ] - [ -0.0009293800000000, -0.0003991500000000, 0.0003506900000000 ] - [ -0.0002408200000000, -0.0002923900000000, 0.0008896100000000 ] - [ -0.0021599300000000, 0.0015649900000000, 0.0011624200000000 ] - [ 0.0003667800000000, -0.0001090000000000, 0.0011570700000000 ] - [ -0.0005892800000000, 0.0003507000000000, 0.0006673200000000 ] - [ -0.0004408800000000, 0.0003334100000000, 0.0006722700000000 ] - [ 0.0013556800000000, -0.0002725200000000, 0.0000844600000000 ] - [ -0.0004851300000000, -0.0008378400000000, 0.0005489900000000 ] - [ 0.0002983000000000, -0.0003344500000000, -0.0000760000000000 ] - [ 0.0001170100000000, -0.0003435600000000, -0.0002571900000000 ] - [ -0.0036218000000000, 0.0003849200000000, 0.0005022500000000 ] - [ 0.0024780800000000, -0.0006649100000000, -0.0005662300000000 ] - [ -0.0006588800000000, 0.0003692000000000, -0.0003558700000000 ] - [ 0.0002066500000000, 0.0002361500000000, -0.0001288200000000 ] - [ -0.0278508700000000, 0.0022619800000000, 0.0175458200000000 ] - [ 0.0047604000000000, -0.0001725600000000, 0.0013585800000000 ] - [ -0.0005806700000000, -0.0002753700000000, -0.0001805700000000 ] - [ 0.0001177700000000, -0.0002466300000000, -0.0003709400000000 ] - [ 0.0020144600000000, -0.0009261000000000, 0.0016290300000000 ] - [ 0.0000726600000000, 0.0023528400000000, -0.0022374600000000 ] - [ 0.0005593500000000, 0.0002251200000000, -0.0006289700000000 ] - [ -0.0000667000000000, 0.0004658000000000, 0.0001636700000000 ] - [ -0.0024967800000000, -0.0007896500000000, -0.0012757400000000 ] - [ 0.0012517400000000, 0.0027562700000000, 0.0015530700000000 ] - [ -0.0008106400000000, 0.0005098000000000, -0.0001181100000000 ] - [ -0.0005390300000000, 0.0005679300000000, -0.0001377000000000 ] - [ 0.0001097100000000, -0.0001183900000000, -0.0002168200000000 ] - [ -0.0002059900000000, 0.0003554600000000, 0.0004544100000000 ] - [ 0.0001128900000000, -0.0000755500000000, 0.0003919300000000 ] - [ -0.0001492100000000, 0.0001542600000000, -0.0000395800000000 ] - [ -0.0014387400000000, 0.0022303400000000, -0.0033577900000000 ] - [ -0.0008777900000000, -0.0011994400000000, 0.0006879400000000 ] - [ 0.0000653700000000, 0.0000461800000000, 0.0001063700000000 ] - [ -0.0000105500000000, 0.0000172500000000, -0.0001380800000000 ] - [ 0.0045311100000000, -0.0004608500000000, 0.0002016400000000 ] - [ -0.0014294800000000, -0.0002330800000000, -0.0000147100000000 ] - [ 0.0003052100000000, -0.0000745300000000, 0.0003424100000000 ] - [ 0.0000752600000000, -0.0000974400000000, 0.0002865100000000 ] - [ -0.0002355500000000, 0.0002194600000000, 0.0000925200000000 ] - [ 0.0000736000000000, 0.0002854600000000, -0.0000344500000000 ] - [ -0.0000267600000000, 0.0001614800000000, 0.0003291600000000 ] - [ -0.0000061800000000, 0.0001615300000000, 0.0003309700000000 ] - [ 0.0010964000000000, 0.0002299600000000, 0.0018095200000000 ] - [ -0.0007519600000000, 0.0000707700000000, -0.0007825200000000 ] - [ 0.0002300100000000, 0.0001710900000000, -0.0003667000000000 ] - [ -0.0002168200000000, 0.0000755800000000, 0.0001229000000000 ] - [ 0.0601098800000000, -0.0031028600000000, -0.0377306400000000 ] - [ -0.0036926600000000, 0.0003505100000000, -0.0001229600000000 ] - [ -0.0004815200000000, 0.0002645400000000, -0.0000987400000000 ] - [ -0.0006568900000000, 0.0002671700000000, -0.0001151300000000 ] - [ 0.0000851900000000, 0.0008127900000000, -0.0000119300000000 ] - [ -0.0001747000000000, -0.0001642100000000, 0.0007177800000000 ] - [ 0.0001138100000000, 0.0003703000000000, 0.0005814700000000 ] - [ 0.0001398900000000, 0.0002958900000000, 0.0003691500000000 ] - [ -0.0005797000000000, 0.0003074200000000, -0.0002377900000000 ] - [ 0.0006445000000000, -0.0041847400000000, 0.0018244400000000 ] - [ 0.0004760900000000, -0.0002440000000000, 0.0003281700000000 ] - [ 0.0006128100000000, -0.0002897400000000, 0.0002520100000000 ] - [ 0.0011495500000000, -0.0015403700000000, -0.0014899000000000 ] - [ -0.0014947900000000, 0.0013702000000000, 0.0001179600000000 ] - [ 0.0000502900000000, -0.0001726100000000, -0.0000775600000000 ] - [ -0.0000524200000000, -0.0001334000000000, -0.0001937000000000 ] - [ -0.0009347600000000, -0.0004488600000000, -0.0002895200000000 ] - [ 0.0004215200000000, 0.0008348900000000, -0.0006830700000000 ] - [ -0.0002325100000000, -0.0000685300000000, -0.0002201000000000 ] - [ -0.0001093800000000, -0.0000194100000000, -0.0001124800000000 ] - [ -0.0000434800000000, 0.0006603000000000, 0.0006548400000000 ] - [ 0.0001673900000000, -0.0006639600000000, 0.0001024300000000 ] - [ 0.0001276800000000, -0.0002856100000000, 0.0003837400000000 ] - [ 0.0001197100000000, -0.0003485100000000, 0.0005179000000000 ] - [ 0.0015580300000000, -0.0001450100000000, 0.0003591600000000 ] - [ -0.0000121300000000, -0.0007001200000000, -0.0000631900000000 ] - [ 0.0007859000000000, -0.0004795300000000, 0.0002977400000000 ] - [ 0.0006344000000000, -0.0005169600000000, 0.0002405800000000 ] - [ 0.0015487900000000, 0.0001290800000000, 0.0005982600000000 ] - [ 0.0000569500000000, 0.0006904100000000, -0.0000366600000000 ] - [ 0.0009700800000000, 0.0004371300000000, 0.0003224000000000 ] - [ 0.0004528400000000, 0.0005732200000000, 0.0002436700000000 ] - [ 0.0001623900000000, 0.0002325000000000, 0.0004236900000000 ] - [ 0.0008704500000000, 0.0003961500000000, -0.0000036700000000 ] - [ 0.0004420500000000, 0.0002827900000000, 0.0002063800000000 ] - [ 0.0006569000000000, 0.0002794000000000, 0.0003256800000000 ] - [ 0.0007847200000000, -0.0004289200000000, -0.0015837300000000 ] - [ -0.0016434100000000, 0.0012547100000000, 0.0015045800000000 ] - [ 0.0000301200000000, 0.0002345800000000, -0.0000477700000000 ] - [ -0.0002871400000000, 0.0003819500000000, -0.0005043700000000 ] - [ 0.0008018800000000, 0.0002883400000000, 0.0002023100000000 ] - [ -0.0003574500000000, 0.0001227800000000, 0.0002219300000000 ] - [ 0.0003153900000000, 0.0000684800000000, 0.0003457900000000 ] - [ 0.0000685000000000, 0.0000700400000000, 0.0002781500000000 ] - [ -0.0011636700000000, 0.0002321300000000, -0.0010527500000000 ] - [ 0.0003563000000000, -0.0009079000000000, 0.0019171500000000 ] - [ -0.0003397300000000, 0.0000644200000000, -0.0000744200000000 ] - [ -0.0000136800000000, -0.0000128200000000, -0.0003516600000000 ] - [ -0.0024300100000000, -0.0006552500000000, -0.0000182200000000 ] - [ -0.0004353900000000, 0.0013682700000000, -0.0110342600000000 ] - [ -0.0008467100000000, -0.0005061600000000, -0.0002209800000000 ] - [ -0.0004936900000000, -0.0005811100000000, 0.0000144300000000 ] - [ -0.0183030900000000, 0.0114211800000000, 0.0116676500000000 ] - [ -0.0031074900000000, -0.0011645400000000, -0.0015428200000000 ] - [ 0.0000196900000000, -0.0000380800000000, 0.0001588600000000 ] - [ -0.0000534100000000, -0.0000542600000000, 0.0002369500000000 ] - [ -0.0065573800000000, -0.0127898600000000, 0.0119109200000000 ] - [ -0.0016440600000000, -0.0000232400000000, -0.0015479900000000 ] - [ -0.0000541700000000, -0.0003239500000000, -0.0003421800000000 ] - [ -0.0002030200000000, -0.0003350200000000, -0.0002320800000000 ] - [ 0.0000069900000000, -0.0002498300000000, -0.0000339800000000 ] - [ -0.0011040900000000, -0.0001313700000000, -0.0000912100000000 ] - [ 0.0000086400000000, -0.0002126700000000, -0.0001259800000000 ] - [ -0.0011062000000000, -0.0003163500000000, -0.0000953500000000 ] - [ -0.0000551200000000, 0.0000669000000000, -0.0003607800000000 ] - [ -0.0001332200000000, -0.0004594300000000, 0.0007538100000000 ] - [ -0.0001344800000000, 0.0000381600000000, 0.0008757600000000 ] - [ 0.0000254700000000, -0.0003147400000000, -0.0000397900000000 ] - [ 0.0000056100000000, -0.0006773000000000, 0.0001490000000000 ] - [ -0.0001611100000000, 0.0002027100000000, -0.0003271100000000 ] - [ 0.0000674800000000, -0.0000378500000000, -0.0000909600000000 ] - [ 0.0000007400000000, 0.0000159300000000, 0.0000163300000000 ]- atom: 73 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0028187300000000, -0.0077998000000000, 0.0015256700000000 ] - [ -0.0010814600000000, -0.0009711800000000, 0.0000269700000000 ] - [ -0.0003462300000000, -0.0006544300000000, -0.0001323300000000 ] - [ -0.0003719600000000, -0.0006423900000000, -0.0000941000000000 ] - [ -0.0003567500000000, -0.0001501400000000, 0.0002442200000000 ] - [ -0.0003963000000000, 0.0002037900000000, 0.0001628500000000 ] - [ -0.0000769400000000, -0.0006685200000000, -0.0006370500000000 ] - [ -0.0004667300000000, 0.0001446800000000, -0.0001554800000000 ] - [ -0.0005731000000000, -0.0006535100000000, 0.0014856100000000 ] - [ 0.0010235700000000, -0.0008443700000000, 0.0010366400000000 ] - [ 0.0001546000000000, -0.0005271200000000, -0.0005133600000000 ] - [ 0.0005036200000000, -0.0005097000000000, -0.0006013000000000 ] - [ -0.0016327800000000, 0.0050059700000000, -0.0003134200000000 ] - [ -0.0009707100000000, 0.0054124900000000, 0.0006633500000000 ] - [ 0.0003537300000000, 0.0007513300000000, -0.0000375400000000 ] - [ 0.0003443000000000, 0.0007469800000000, -0.0000433700000000 ] - [ 0.0003531800000000, -0.0010266800000000, -0.0007621300000000 ] - [ 0.0007085000000000, -0.0013070600000000, -0.0007452500000000 ] - [ 0.0005127000000000, -0.0004436900000000, -0.0007591400000000 ] - [ 0.0005028600000000, -0.0004437500000000, -0.0007689000000000 ] - [ 0.0013926000000000, 0.0001871000000000, -0.0016792700000000 ] - [ -0.0013363100000000, 0.0007810600000000, -0.0017752000000000 ] - [ 0.0005345800000000, 0.0004085200000000, -0.0006580800000000 ] - [ 0.0004952200000000, 0.0004041600000000, -0.0006849300000000 ] - [ -0.0005999100000000, 0.0006234900000000, 0.0011294900000000 ] - [ -0.0004434800000000, 0.0000006900000000, 0.0007373700000000 ] - [ -0.0005086900000000, -0.0000447900000000, 0.0005557800000000 ] - [ -0.0005117300000000, -0.0001996900000000, 0.0007442100000000 ] - [ -0.0009134500000000, -0.0025912900000000, 0.0015006100000000 ] - [ -0.0004248200000000, 0.0000260400000000, 0.0008785500000000 ] - [ -0.0005176700000000, 0.0003173800000000, 0.0007079100000000 ] - [ -0.0005125000000000, 0.0003212500000000, 0.0007243300000000 ] - [ 0.0003168700000000, -0.0022536200000000, -0.0000639000000000 ] - [ 0.0000873300000000, -0.0031980000000000, 0.0000597400000000 ] - [ 0.0002030600000000, -0.0004826400000000, -0.0000300600000000 ] - [ 0.0002120900000000, -0.0004784500000000, -0.0000452100000000 ] - [ -0.0009563800000000, -0.0017650800000000, -0.0032279900000000 ] - [ 0.0000683100000000, -0.0003329000000000, -0.0004909200000000 ] - [ -0.0002503900000000, 0.0001509600000000, 0.0003285100000000 ] - [ -0.0002286700000000, 0.0001953100000000, 0.0001501200000000 ] - [ -0.0021935400000000, 0.0200297800000000, 0.0040662500000000 ] - [ -0.0001375000000000, 0.0012507200000000, 0.0001442100000000 ] - [ -0.0002274600000000, -0.0000871900000000, -0.0001092200000000 ] - [ -0.0002095800000000, -0.0001370200000000, -0.0001124900000000 ] - [ 0.0015309900000000, 0.0002314100000000, 0.0011201300000000 ] - [ -0.0013136100000000, 0.0010992600000000, 0.0030486500000000 ] - [ 0.0003912000000000, 0.0004069200000000, -0.0004325300000000 ] - [ 0.0000053900000000, 0.0004863700000000, -0.0005395100000000 ] - [ -0.0005291500000000, 0.0006403000000000, -0.0000178100000000 ] - [ -0.0013625300000000, 0.0020836400000000, 0.0018210600000000 ] - [ -0.0006943900000000, 0.0005160700000000, -0.0002581000000000 ] - [ -0.0007206400000000, 0.0005123500000000, -0.0002864700000000 ] - [ 0.0002040500000000, 0.0004884900000000, 0.0005941800000000 ] - [ -0.0001990800000000, 0.0003727000000000, 0.0003162800000000 ] - [ -0.0000578600000000, 0.0002714100000000, 0.0000016100000000 ] - [ -0.0000409900000000, 0.0001843400000000, 0.0000337100000000 ] - [ -0.0022706200000000, 0.0002434500000000, -0.0026087500000000 ] - [ 0.0005084100000000, -0.0009077200000000, -0.0002148100000000 ] - [ 0.0000128100000000, -0.0000445900000000, 0.0000149100000000 ] - [ 0.0000606900000000, -0.0000375000000000, -0.0000160500000000 ] - [ 0.0008281700000000, 0.0077838100000000, 0.0120236900000000 ] - [ -0.0000493800000000, -0.0003108300000000, 0.0003347300000000 ] - [ 0.0001756700000000, -0.0001335400000000, 0.0002181900000000 ] - [ 0.0001646900000000, -0.0001194400000000, 0.0002348200000000 ] - [ -0.0002507500000000, 0.0012612800000000, 0.0001800300000000 ] - [ -0.0000294200000000, 0.0009068600000000, 0.0002291700000000 ] - [ -0.0000165500000000, 0.0002086600000000, 0.0002724600000000 ] - [ -0.0000135500000000, 0.0002042500000000, 0.0002741800000000 ] - [ -0.0002058400000000, -0.0015958100000000, 0.0000515100000000 ] - [ -0.0000905300000000, -0.0001965300000000, -0.0002286200000000 ] - [ -0.0000096200000000, -0.0000532100000000, -0.0001834900000000 ] - [ -0.0000140700000000, 0.0000231800000000, -0.0001740000000000 ] - [ 0.0028843200000000, -0.0369503400000000, -0.0050797800000000 ] - [ -0.0006402600000000, -0.0003605900000000, -0.0006337600000000 ] - [ -0.0005571700000000, 0.0002152400000000, -0.0001669200000000 ] - [ -0.0005598200000000, 0.0002256200000000, -0.0001715000000000 ] - [ -0.0001228000000000, 0.0008699500000000, -0.0000995700000000 ] - [ 0.0006932400000000, 0.0010056600000000, -0.0001715100000000 ] - [ 0.0000983000000000, 0.0004176500000000, 0.0005194400000000 ] - [ 0.0001816600000000, 0.0004263800000000, 0.0004919700000000 ] - [ -0.0000139500000000, -0.0002423200000000, -0.0001178100000000 ] - [ 0.0045160900000000, 0.0038268100000000, -0.0035783300000000 ] - [ 0.0005373200000000, -0.0002770900000000, 0.0002683600000000 ] - [ 0.0005830500000000, -0.0002878100000000, 0.0003134300000000 ] - [ 0.0011914600000000, 0.0020866600000000, 0.0013045400000000 ] - [ -0.0003175100000000, 0.0002369700000000, -0.0001423300000000 ] - [ 0.0000095500000000, -0.0001388800000000, -0.0002464500000000 ] - [ 0.0000097600000000, -0.0001403300000000, -0.0002418600000000 ] - [ 0.0000661800000000, 0.0004803000000000, -0.0003044600000000 ] - [ -0.0009516800000000, 0.0018364300000000, -0.0010458600000000 ] - [ -0.0001684900000000, -0.0000058500000000, -0.0001874800000000 ] - [ -0.0001828300000000, 0.0000001000000000, -0.0001772100000000 ] - [ -0.0004963300000000, 0.0008048200000000, 0.0007318000000000 ] - [ 0.0005268500000000, 0.0003234800000000, 0.0005136900000000 ] - [ 0.0001128800000000, -0.0002567800000000, 0.0003603000000000 ] - [ 0.0001192900000000, -0.0002710100000000, 0.0003768600000000 ] - [ 0.0012778200000000, 0.0011400400000000, 0.0005438700000000 ] - [ 0.0006929200000000, -0.0000825900000000, 0.0002546200000000 ] - [ 0.0007123300000000, -0.0004598700000000, 0.0002318900000000 ] - [ 0.0007027200000000, -0.0004710400000000, 0.0002234300000000 ] - [ 0.0005790300000000, 0.0007060700000000, -0.0005910200000000 ] - [ 0.0005498600000000, 0.0005438800000000, 0.0000049100000000 ] - [ 0.0007760900000000, 0.0005621300000000, 0.0005880500000000 ] - [ 0.0006444600000000, 0.0005351600000000, 0.0002894500000000 ] - [ 0.0005255300000000, 0.0006370000000000, 0.0002405300000000 ] - [ 0.0006903500000000, 0.0008977800000000, 0.0001484800000000 ] - [ 0.0005760100000000, 0.0003787700000000, 0.0002022900000000 ] - [ 0.0005730500000000, 0.0004091800000000, 0.0002118500000000 ] - [ 0.0004890400000000, -0.0000726600000000, 0.0007232700000000 ] - [ -0.0004791000000000, 0.0003825600000000, 0.0002231300000000 ] - [ -0.0001374300000000, 0.0001788700000000, -0.0004745300000000 ] - [ -0.0001485900000000, 0.0002506100000000, -0.0004681300000000 ] - [ 0.0001256500000000, 0.0011809600000000, 0.0004525400000000 ] - [ 0.0001274500000000, 0.0004466700000000, 0.0002669300000000 ] - [ 0.0001744100000000, 0.0002516200000000, 0.0002538400000000 ] - [ 0.0001741800000000, 0.0001725400000000, 0.0002475000000000 ] - [ -0.0004929600000000, -0.0005698300000000, -0.0002709000000000 ] - [ 0.0000800800000000, -0.0012110800000000, -0.0005789100000000 ] - [ -0.0002249100000000, -0.0000847400000000, -0.0001913500000000 ] - [ -0.0001514500000000, -0.0001551700000000, -0.0001872500000000 ] - [ -0.0006937700000000, -0.0012438300000000, -0.0001292400000000 ] - [ -0.0023020100000000, -0.0043927700000000, -0.0047038900000000 ] - [ -0.0006572800000000, -0.0006208000000000, -0.0001475300000000 ] - [ -0.0006543500000000, -0.0006360500000000, -0.0001355600000000 ] - [ -0.0113148000000000, 0.0003453800000000, 0.0054984900000000 ] - [ 0.0009335500000000, -0.0011081200000000, 0.0000471800000000 ] - [ -0.0000219600000000, -0.0000929600000000, 0.0001320900000000 ] - [ -0.0000174900000000, -0.0000862100000000, 0.0001374800000000 ] - [ 0.0117455400000000, 0.0062382900000000, -0.0122350100000000 ] - [ -0.0005782700000000, -0.0006624800000000, -0.0007589000000000 ] - [ -0.0001381300000000, -0.0003845200000000, -0.0003153300000000 ] - [ -0.0001498000000000, -0.0003715900000000, -0.0003164400000000 ] - [ -0.0005060900000000, -0.0001119000000000, 0.0003703200000000 ] - [ -0.0006090100000000, -0.0001754300000000, -0.0000311600000000 ] - [ -0.0005431000000000, -0.0001105200000000, -0.0006136200000000 ] - [ -0.0004235800000000, -0.0001752300000000, -0.0003468900000000 ] - [ -0.0001151100000000, -0.0001138500000000, -0.0002003200000000 ] - [ 0.0001153100000000, -0.0002315400000000, 0.0000289200000000 ] - [ -0.0001930800000000, -0.0001817700000000, 0.0007102100000000 ] - [ 0.0002334900000000, -0.0001851600000000, 0.0006339400000000 ] - [ 0.0002792400000000, 0.0010412800000000, -0.0003401800000000 ] - [ -0.0001679900000000, 0.0004486900000000, -0.0002553200000000 ] - [ 0.0000459300000000, 0.0000853300000000, -0.0000598300000000 ] - [ 0.0000228300000000, 0.0000595400000000, -0.0000703600000000 ]- atom: 73 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0035090100000000, 0.0065645900000000, -0.0015219900000000 ] - [ 0.0003618000000000, -0.0002525600000000, -0.0000237400000000 ] - [ -0.0003669900000000, -0.0005726200000000, 0.0001439500000000 ] - [ -0.0003410700000000, -0.0005845800000000, 0.0001058500000000 ] - [ -0.0003551200000000, 0.0013794500000000, -0.0002298200000000 ] - [ -0.0003183800000000, 0.0010245800000000, -0.0001508000000000 ] - [ -0.0006343100000000, 0.0018962400000000, 0.0006423000000000 ] - [ -0.0002474100000000, 0.0010850100000000, 0.0001630200000000 ] - [ 0.0012817600000000, -0.0005806400000000, -0.0014912600000000 ] - [ -0.0003007700000000, -0.0004021000000000, -0.0010407400000000 ] - [ 0.0005602700000000, -0.0007018200000000, 0.0005063800000000 ] - [ 0.0002076900000000, -0.0007196200000000, 0.0005954700000000 ] - [ 0.0023188600000000, -0.0037968300000000, 0.0002752500000000 ] - [ 0.0016926900000000, -0.0041695000000000, -0.0006963900000000 ] - [ 0.0003594900000000, 0.0004783500000000, 0.0000314900000000 ] - [ 0.0003693500000000, 0.0004826400000000, 0.0000379900000000 ] - [ 0.0006719300000000, 0.0003328600000000, -0.0007512200000000 ] - [ 0.0003106300000000, 0.0006135900000000, -0.0007681500000000 ] - [ 0.0005101800000000, -0.0002503500000000, -0.0007544700000000 ] - [ 0.0005196500000000, -0.0002507100000000, -0.0007451600000000 ] - [ -0.0003729400000000, 0.0005141100000000, 0.0001691900000000 ] - [ 0.0023575800000000, -0.0000734100000000, 0.0002591800000000 ] - [ 0.0004879500000000, 0.0002874100000000, -0.0008549500000000 ] - [ 0.0005268300000000, 0.0002916800000000, -0.0008274200000000 ] - [ -0.0004228100000000, -0.0013161700000000, 0.0003839100000000 ] - [ -0.0005791700000000, -0.0006936800000000, 0.0007760700000000 ] - [ -0.0005146000000000, -0.0006464300000000, 0.0009633000000000 ] - [ -0.0005109200000000, -0.0004931300000000, 0.0007719900000000 ] - [ -0.0000989800000000, 0.0032907400000000, 0.0000003000000000 ] - [ -0.0005981200000000, 0.0006672700000000, 0.0006339000000000 ] - [ -0.0005046200000000, 0.0003780600000000, 0.0008077800000000 ] - [ -0.0005100000000000, 0.0003739500000000, 0.0007918600000000 ] - [ 0.0001152400000000, 0.0016494200000000, 0.0001065600000000 ] - [ 0.0003337800000000, 0.0025963400000000, -0.0000172500000000 ] - [ 0.0002263900000000, -0.0001183200000000, 0.0000842800000000 ] - [ 0.0002162300000000, -0.0001225300000000, 0.0000998300000000 ] - [ 0.0005339200000000, 0.0023687000000000, 0.0031953600000000 ] - [ -0.0004993100000000, 0.0009319200000000, 0.0004379200000000 ] - [ -0.0001792300000000, 0.0004486700000000, -0.0003751200000000 ] - [ -0.0001990700000000, 0.0004056200000000, -0.0001982200000000 ] - [ 0.0018292600000000, -0.0206899900000000, -0.0043439300000000 ] - [ -0.0002882300000000, -0.0018500900000000, -0.0001984900000000 ] - [ -0.0002010600000000, -0.0005134300000000, 0.0000616400000000 ] - [ -0.0002190200000000, -0.0004635900000000, 0.0000641700000000 ] - [ -0.0010982500000000, 0.0003754200000000, -0.0010693400000000 ] - [ 0.0017363000000000, -0.0004860400000000, -0.0029816700000000 ] - [ 0.0000373100000000, 0.0001977300000000, 0.0004859700000000 ] - [ 0.0004230900000000, 0.0001202900000000, 0.0005922600000000 ] - [ -0.0008566200000000, 0.0004029000000000, -0.0003847100000000 ] - [ -0.0000116100000000, -0.0010570000000000, -0.0022474600000000 ] - [ -0.0006932400000000, 0.0005226100000000, -0.0001483700000000 ] - [ -0.0006668700000000, 0.0005265900000000, -0.0001206100000000 ] - [ -0.0002580500000000, -0.0004157500000000, -0.0003722000000000 ] - [ 0.0001493700000000, -0.0002991100000000, -0.0000918400000000 ] - [ 0.0000062000000000, -0.0001976100000000, 0.0002232700000000 ] - [ -0.0000115500000000, -0.0001099100000000, 0.0001900100000000 ] - [ 0.0023072500000000, -0.0001770600000000, 0.0023686400000000 ] - [ -0.0004529900000000, 0.0009771700000000, -0.0000109400000000 ] - [ 0.0000393200000000, 0.0001159400000000, -0.0002415000000000 ] - [ -0.0000092700000000, 0.0001092800000000, -0.0002103900000000 ] - [ -0.0004594400000000, -0.0078212300000000, -0.0113478200000000 ] - [ 0.0004119900000000, 0.0001809500000000, 0.0001523100000000 ] - [ 0.0001863100000000, 0.0000062500000000, 0.0002667700000000 ] - [ 0.0001973200000000, -0.0000078600000000, 0.0002504500000000 ] - [ 0.0002296400000000, -0.0009474900000000, 0.0002976200000000 ] - [ 0.0000169200000000, -0.0005962500000000, 0.0002457900000000 ] - [ 0.0000014600000000, 0.0001014600000000, 0.0001990200000000 ] - [ -0.0000012900000000, 0.0001059100000000, 0.0001973400000000 ] - [ 0.0002290600000000, 0.0019037400000000, -0.0005375500000000 ] - [ 0.0001025900000000, 0.0005053900000000, -0.0002445200000000 ] - [ 0.0000247500000000, 0.0003632200000000, -0.0002908100000000 ] - [ 0.0000295600000000, 0.0002867300000000, -0.0002995300000000 ] - [ -0.0039223200000000, 0.0373288000000000, 0.0047760800000000 ] - [ -0.0004751300000000, 0.0008916000000000, 0.0002315000000000 ] - [ -0.0005591600000000, 0.0003161300000000, -0.0002396600000000 ] - [ -0.0005567000000000, 0.0003058500000000, -0.0002342800000000 ] - [ 0.0003728800000000, -0.0002214100000000, 0.0008642100000000 ] - [ -0.0004350400000000, -0.0003524200000000, 0.0009347200000000 ] - [ 0.0001540800000000, 0.0002316100000000, 0.0002473500000000 ] - [ 0.0000713700000000, 0.0002231300000000, 0.0002748800000000 ] - [ 0.0011290900000000, -0.0002900900000000, 0.0005248200000000 ] - [ -0.0033291800000000, -0.0042813800000000, 0.0039273100000000 ] - [ 0.0005795800000000, -0.0002531400000000, 0.0001352600000000 ] - [ 0.0005340600000000, -0.0002427100000000, 0.0000901500000000 ] - [ -0.0011977200000000, -0.0024226800000000, -0.0017901900000000 ] - [ 0.0003329300000000, -0.0005415400000000, -0.0003289600000000 ] - [ 0.0000057700000000, -0.0001687200000000, -0.0002278600000000 ] - [ 0.0000055000000000, -0.0001674500000000, -0.0002323600000000 ] - [ -0.0004285600000000, -0.0006037200000000, -0.0001798700000000 ] - [ 0.0005944800000000, -0.0019663000000000, 0.0005703900000000 ] - [ -0.0001938500000000, -0.0001205600000000, -0.0002996600000000 ] - [ -0.0001792300000000, -0.0001264400000000, -0.0003100500000000 ] - [ 0.0007458300000000, -0.0014557400000000, 0.0000396600000000 ] - [ -0.0002717000000000, -0.0009728500000000, 0.0002561700000000 ] - [ 0.0001394700000000, -0.0003915600000000, 0.0004056600000000 ] - [ 0.0001335800000000, -0.0003772800000000, 0.0003892100000000 ] - [ 0.0001129200000000, -0.0021728700000000, -0.0001334000000000 ] - [ 0.0006940500000000, -0.0009536900000000, 0.0001526900000000 ] - [ 0.0006746200000000, -0.0005771400000000, 0.0001724000000000 ] - [ 0.0006843400000000, -0.0005657200000000, 0.0001811500000000 ] - [ 0.0008071100000000, 0.0003317300000000, 0.0009922500000000 ] - [ 0.0008375500000000, 0.0004940700000000, 0.0004006600000000 ] - [ 0.0006117100000000, 0.0004751800000000, -0.0001813800000000 ] - [ 0.0007431600000000, 0.0005028000000000, 0.0001158500000000 ] - [ 0.0005906900000000, -0.0001051200000000, 0.0001658100000000 ] - [ 0.0004275200000000, -0.0003657600000000, 0.0002598000000000 ] - [ 0.0005406100000000, 0.0001527600000000, 0.0002012100000000 ] - [ 0.0005443400000000, 0.0001223300000000, 0.0001913600000000 ] - [ -0.0007458600000000, 0.0007270000000000, -0.0014930500000000 ] - [ 0.0002261000000000, 0.0002683500000000, -0.0009876200000000 ] - [ -0.0001147900000000, 0.0004722900000000, -0.0002946600000000 ] - [ -0.0001046400000000, 0.0003999100000000, -0.0003011000000000 ] - [ 0.0002361500000000, -0.0010535700000000, 0.0000307200000000 ] - [ 0.0002345700000000, -0.0003169100000000, 0.0002193800000000 ] - [ 0.0001877200000000, -0.0001219800000000, 0.0002317000000000 ] - [ 0.0001876800000000, -0.0000434000000000, 0.0002381200000000 ] - [ 0.0001301900000000, 0.0006964800000000, -0.0002138900000000 ] - [ -0.0004433300000000, 0.0013353800000000, 0.0000957600000000 ] - [ -0.0001372800000000, 0.0002130100000000, -0.0002959500000000 ] - [ -0.0002113100000000, 0.0002816500000000, -0.0003018700000000 ] - [ -0.0006922600000000, 0.0002076100000000, -0.0002762600000000 ] - [ 0.0008725200000000, 0.0034000500000000, 0.0042024000000000 ] - [ -0.0007306500000000, -0.0004157200000000, -0.0002591300000000 ] - [ -0.0007330700000000, -0.0004005400000000, -0.0002711500000000 ] - [ 0.0112280000000000, -0.0004845300000000, -0.0052517900000000 ] - [ -0.0009885200000000, 0.0010318600000000, 0.0001819100000000 ] - [ -0.0000299700000000, 0.0000219600000000, 0.0000919800000000 ] - [ -0.0000341400000000, 0.0000152000000000, 0.0000866900000000 ] - [ -0.0121352900000000, -0.0069015000000000, 0.0116101500000000 ] - [ 0.0003235100000000, 0.0000172300000000, -0.0000059800000000 ] - [ -0.0001148800000000, -0.0002631900000000, -0.0004532800000000 ] - [ -0.0001028700000000, -0.0002760100000000, -0.0004519300000000 ] - [ -0.0006112000000000, -0.0004167200000000, -0.0007787600000000 ] - [ -0.0005075300000000, -0.0003533000000000, -0.0003736700000000 ] - [ -0.0005720200000000, -0.0004153000000000, 0.0002057900000000 ] - [ -0.0006936700000000, -0.0003530700000000, -0.0000587900000000 ] - [ 0.0000992200000000, -0.0001950700000000, 0.0006714700000000 ] - [ -0.0001297000000000, -0.0000777400000000, 0.0004423000000000 ] - [ 0.0001777700000000, -0.0001287600000000, -0.0002385400000000 ] - [ -0.0002482200000000, -0.0001255600000000, -0.0001612800000000 ] - [ -0.0002276700000000, -0.0011081000000000, 0.0001172900000000 ] - [ 0.0002221900000000, -0.0005168100000000, 0.0000330600000000 ] - [ 0.0000056200000000, -0.0001555100000000, -0.0001669600000000 ] - [ 0.0000293400000000, -0.0001297200000000, -0.0001559500000000 ]- atom: 73 displacement: [ -0.0002094772357658, 0.0000000000000000, 0.0099978057236424 ] forces: - [ -0.0012451200000000, 0.0007056200000000, 0.0060461600000000 ] - [ 0.0003042900000000, -0.0000992100000000, 0.0023245800000000 ] - [ -0.0003566300000000, -0.0007281800000000, -0.0013949700000000 ] - [ -0.0004247900000000, -0.0007312800000000, -0.0012312700000000 ] - [ -0.0006494700000000, 0.0008957900000000, -0.0009359100000000 ] - [ -0.0001500500000000, 0.0007717300000000, -0.0006649500000000 ] - [ 0.0000084400000000, -0.0000354400000000, -0.0006212400000000 ] - [ -0.0005635700000000, 0.0005143400000000, 0.0000180900000000 ] - [ 0.0022337100000000, 0.0007454500000000, -0.0014720800000000 ] - [ -0.0021810700000000, 0.0022064300000000, -0.0012596200000000 ] - [ -0.0002048100000000, -0.0009044600000000, -0.0014699300000000 ] - [ 0.0008026500000000, -0.0009861400000000, -0.0015908600000000 ] - [ -0.0034711800000000, 0.0002031600000000, 0.0059312600000000 ] - [ 0.0015217900000000, 0.0008878000000000, 0.0058560700000000 ] - [ 0.0004236100000000, 0.0005232200000000, -0.0014754700000000 ] - [ 0.0001973400000000, 0.0005680500000000, -0.0015517300000000 ] - [ 0.0003801800000000, -0.0005583300000000, -0.0002165000000000 ] - [ 0.0007768500000000, -0.0008017100000000, -0.0002688800000000 ] - [ 0.0005650400000000, -0.0002937800000000, -0.0012520300000000 ] - [ 0.0004452100000000, -0.0002856000000000, -0.0012680700000000 ] - [ 0.0016614600000000, -0.0004074600000000, -0.0011214400000000 ] - [ -0.0019494500000000, -0.0010738700000000, -0.0005650600000000 ] - [ 0.0004227100000000, 0.0003892800000000, -0.0013230700000000 ] - [ 0.0005755400000000, 0.0004161900000000, -0.0014539400000000 ] - [ -0.0013997400000000, 0.0002684300000000, -0.0019725000000000 ] - [ -0.0002151200000000, -0.0002320200000000, 0.0004029500000000 ] - [ -0.0003471700000000, -0.0005732100000000, -0.0006723400000000 ] - [ -0.0006253600000000, -0.0004129800000000, 0.0003652100000000 ] - [ -0.0009671800000000, 0.0015473400000000, 0.0029823800000000 ] - [ -0.0003257700000000, 0.0002549100000000, 0.0018041100000000 ] - [ -0.0005301600000000, 0.0003421000000000, 0.0001418600000000 ] - [ -0.0005258600000000, 0.0003543200000000, 0.0002207400000000 ] - [ 0.0009808900000000, -0.0001479000000000, 0.0018345200000000 ] - [ -0.0003607900000000, -0.0001619900000000, 0.0020246000000000 ] - [ 0.0000991300000000, -0.0004030300000000, -0.0012514100000000 ] - [ 0.0002251000000000, -0.0003947800000000, -0.0013542000000000 ] - [ -0.0015143800000000, -0.0034275700000000, -0.0011668500000000 ] - [ 0.0003822000000000, -0.0006070800000000, 0.0000187600000000 ] - [ -0.0001259100000000, 0.0007035200000000, -0.0017926100000000 ] - [ -0.0003903300000000, 0.0004743700000000, -0.0011894500000000 ] - [ -0.0195308000000000, 0.0062079000000000, 0.0810017200000000 ] - [ 0.0000088700000000, -0.0002551500000000, 0.0029059200000000 ] - [ -0.0002773000000000, -0.0001969900000000, -0.0019975600000000 ] - [ -0.0002164100000000, -0.0002032300000000, -0.0015328900000000 ] - [ -0.0018547300000000, 0.0018367600000000, 0.0000405100000000 ] - [ 0.0023006300000000, 0.0037050400000000, -0.0012266700000000 ] - [ 0.0005761500000000, 0.0000879300000000, -0.0013515700000000 ] - [ -0.0003160200000000, -0.0002051700000000, -0.0016887600000000 ] - [ -0.0005915000000000, 0.0008519100000000, -0.0003231600000000 ] - [ -0.0012214900000000, 0.0031907200000000, 0.0009628200000000 ] - [ -0.0006496900000000, 0.0005590200000000, 0.0002242500000000 ] - [ -0.0005162100000000, 0.0005535100000000, 0.0003974200000000 ] - [ 0.0002732700000000, 0.0005126700000000, 0.0002874500000000 ] - [ -0.0002899100000000, 0.0002953600000000, 0.0003058400000000 ] - [ -0.0001142300000000, -0.0001674800000000, 0.0005942600000000 ] - [ 0.0001567800000000, -0.0002380500000000, 0.0006453600000000 ] - [ 0.0040489300000000, -0.0031364400000000, 0.0018387800000000 ] - [ -0.0010002000000000, -0.0007206200000000, -0.0003470700000000 ] - [ -0.0000516800000000, 0.0001347300000000, 0.0005373700000000 ] - [ 0.0002159800000000, 0.0000991200000000, 0.0004540900000000 ] - [ 0.0004216500000000, 0.0111997500000000, 0.0070350700000000 ] - [ -0.0002427300000000, 0.0001109400000000, -0.0003946000000000 ] - [ 0.0002540000000000, -0.0001610100000000, 0.0008387700000000 ] - [ 0.0002431900000000, -0.0001272100000000, 0.0006998900000000 ] - [ 0.0001513300000000, 0.0002081600000000, -0.0009170900000000 ] - [ 0.0001608200000000, 0.0001424800000000, -0.0009459400000000 ] - [ -0.0000717500000000, 0.0001673200000000, 0.0008571300000000 ] - [ -0.0000599000000000, 0.0001685800000000, 0.0008583500000000 ] - [ -0.0018306900000000, 0.0000650200000000, 0.0025190700000000 ] - [ 0.0006532500000000, 0.0002955800000000, -0.0005431900000000 ] - [ 0.0000806400000000, 0.0001186800000000, 0.0008466600000000 ] - [ -0.0001707700000000, 0.0001211600000000, 0.0004447900000000 ] - [ 0.0387231700000000, -0.0050573200000000, -0.1297277300000000 ] - [ -0.0007003400000000, -0.0001647600000000, -0.0019056300000000 ] - [ -0.0006602000000000, 0.0003017800000000, 0.0005412600000000 ] - [ -0.0006474500000000, 0.0002969000000000, 0.0004095900000000 ] - [ 0.0002766200000000, -0.0001692000000000, 0.0000430400000000 ] - [ -0.0003460300000000, -0.0001857300000000, 0.0003548500000000 ] - [ 0.0000629700000000, 0.0003750300000000, 0.0008840200000000 ] - [ 0.0002480500000000, 0.0004248200000000, 0.0008469400000000 ] - [ 0.0009703800000000, -0.0005743200000000, -0.0009894400000000 ] - [ -0.0010602200000000, -0.0040954400000000, -0.0003536300000000 ] - [ 0.0004311000000000, -0.0001981500000000, 0.0007562700000000 ] - [ 0.0005101200000000, -0.0001538400000000, 0.0009007200000000 ] - [ 0.0009546800000000, 0.0013350400000000, -0.0017518000000000 ] - [ -0.0005864100000000, 0.0007236400000000, -0.0008594300000000 ] - [ -0.0000761600000000, -0.0001975400000000, 0.0004910300000000 ] - [ -0.0000185300000000, -0.0001821400000000, 0.0003733500000000 ] - [ -0.0006964900000000, -0.0004274100000000, -0.0009527800000000 ] - [ 0.0002022100000000, -0.0008713600000000, -0.0013212200000000 ] - [ -0.0000858800000000, 0.0000056400000000, 0.0002303800000000 ] - [ -0.0001304800000000, 0.0000103500000000, 0.0002712200000000 ] - [ -0.0002487400000000, 0.0003759000000000, -0.0002871900000000 ] - [ 0.0005564900000000, -0.0000046800000000, -0.0003644400000000 ] - [ 0.0001418000000000, -0.0003297800000000, 0.0009154000000000 ] - [ 0.0000814100000000, -0.0003344400000000, 0.0009167500000000 ] - [ 0.0006141400000000, -0.0004660400000000, -0.0008145400000000 ] - [ 0.0003663800000000, -0.0007232900000000, -0.0004822000000000 ] - [ 0.0008116400000000, -0.0004030300000000, 0.0006880400000000 ] - [ 0.0008028700000000, -0.0004090800000000, 0.0006329200000000 ] - [ 0.0009131800000000, -0.0004306300000000, 0.0007466500000000 ] - [ 0.0007074300000000, 0.0003052300000000, 0.0001899900000000 ] - [ 0.0008320400000000, 0.0007387700000000, 0.0008514900000000 ] - [ 0.0006506700000000, 0.0005820200000000, 0.0004685700000000 ] - [ 0.0003295300000000, 0.0002269900000000, 0.0000364600000000 ] - [ 0.0007707600000000, 0.0003239900000000, -0.0000711600000000 ] - [ 0.0005516100000000, 0.0002651100000000, 0.0006181100000000 ] - [ 0.0004381000000000, 0.0002553500000000, 0.0007314900000000 ] - [ 0.0012964800000000, 0.0019544100000000, 0.0013185500000000 ] - [ -0.0007533100000000, 0.0008326700000000, 0.0001808100000000 ] - [ -0.0002480300000000, 0.0001292100000000, 0.0004517700000000 ] - [ 0.0000198500000000, 0.0002872000000000, 0.0001643600000000 ] - [ 0.0003452200000000, 0.0006486600000000, 0.0001765400000000 ] - [ 0.0000787800000000, 0.0002676800000000, 0.0000935000000000 ] - [ 0.0002513100000000, -0.0000223400000000, 0.0007029100000000 ] - [ 0.0002403400000000, 0.0000077900000000, 0.0005614700000000 ] - [ 0.0003256100000000, 0.0000448100000000, -0.0001920800000000 ] - [ -0.0022548600000000, -0.0016208800000000, 0.0029184400000000 ] - [ -0.0002415300000000, 0.0001001000000000, 0.0002028400000000 ] - [ 0.0001160100000000, 0.0002693500000000, 0.0007041300000000 ] - [ -0.0017028700000000, -0.0004249900000000, -0.0007665700000000 ] - [ 0.0096910000000000, -0.0053145700000000, 0.0189882100000000 ] - [ -0.0005320400000000, -0.0006438500000000, 0.0003013500000000 ] - [ -0.0006088100000000, -0.0005944400000000, 0.0004827000000000 ] - [ -0.0109511900000000, 0.0051935400000000, -0.0002454200000000 ] - [ 0.0006673200000000, -0.0003006800000000, -0.0019806700000000 ] - [ 0.0000656200000000, -0.0000632800000000, 0.0007565200000000 ] - [ 0.0000085300000000, -0.0000398700000000, 0.0007021600000000 ] - [ -0.0124568200000000, -0.0127054100000000, 0.0059002400000000 ] - [ 0.0000585400000000, -0.0003215100000000, -0.0020328200000000 ] - [ -0.0001011500000000, -0.0003024600000000, 0.0002962400000000 ] - [ -0.0001554300000000, -0.0003475400000000, 0.0002190100000000 ] - [ -0.0006225300000000, 0.0001432700000000, 0.0006381700000000 ] - [ -0.0006764400000000, -0.0001182900000000, 0.0000881700000000 ] - [ -0.0007146100000000, -0.0008394300000000, 0.0006370300000000 ] - [ -0.0006832700000000, -0.0004374600000000, 0.0000867400000000 ] - [ 0.0002112600000000, -0.0004586000000000, 0.0009159900000000 ] - [ -0.0004707100000000, -0.0006607800000000, 0.0009606800000000 ] - [ -0.0004178600000000, 0.0001782900000000, 0.0008660000000000 ] - [ 0.0004350800000000, 0.0002408300000000, 0.0008000300000000 ] - [ -0.0002886600000000, -0.0007766200000000, -0.0004600000000000 ] - [ 0.0002150800000000, -0.0002605000000000, -0.0006890300000000 ] - [ 0.0001204800000000, 0.0000320800000000, 0.0004145300000000 ] - [ 0.0000214600000000, 0.0000282000000000, 0.0003582200000000 ]- atom: 73 displacement: [ 0.0002094772357658, 0.0000000000000000, -0.0099978057236424 ] forces: - [ 0.0005202700000000, -0.0018964400000000, -0.0060519500000000 ] - [ -0.0010148100000000, -0.0011244900000000, -0.0023195100000000 ] - [ -0.0003560300000000, -0.0005003500000000, 0.0014048700000000 ] - [ -0.0002886400000000, -0.0004970000000000, 0.0012409500000000 ] - [ -0.0000627200000000, 0.0003309600000000, 0.0009434800000000 ] - [ -0.0005640000000000, 0.0004554700000000, 0.0006710600000000 ] - [ -0.0007195400000000, 0.0012622900000000, 0.0006343000000000 ] - [ -0.0001507900000000, 0.0007141200000000, -0.0000051800000000 ] - [ -0.0015195200000000, -0.0019735100000000, 0.0014701500000000 ] - [ 0.0028849800000000, -0.0034195800000000, 0.0012520200000000 ] - [ 0.0009222300000000, -0.0003207300000000, 0.0014631500000000 ] - [ -0.0000942600000000, -0.0002386100000000, 0.0015824600000000 ] - [ 0.0041558500000000, 0.0010112200000000, -0.0059851500000000 ] - [ -0.0007634600000000, 0.0003215700000000, -0.0059001900000000 ] - [ 0.0002901900000000, 0.0007049500000000, 0.0014679500000000 ] - [ 0.0005148800000000, 0.0006602600000000, 0.0015430700000000 ] - [ 0.0006420800000000, -0.0001366400000000, -0.0013005100000000 ] - [ 0.0002448100000000, 0.0001088700000000, -0.0012474200000000 ] - [ 0.0004573100000000, -0.0004006900000000, -0.0002612000000000 ] - [ 0.0005771000000000, -0.0004087700000000, -0.0002458100000000 ] - [ -0.0006417500000000, 0.0011054600000000, -0.0003840300000000 ] - [ 0.0029687900000000, 0.0017660800000000, -0.0009392200000000 ] - [ 0.0006009100000000, 0.0003049000000000, -0.0001914200000000 ] - [ 0.0004466500000000, 0.0002777100000000, -0.0000594500000000 ] - [ 0.0003862400000000, -0.0009704600000000, 0.0035084000000000 ] - [ -0.0008091600000000, -0.0004615800000000, 0.0011092400000000 ] - [ -0.0006743400000000, -0.0001227400000000, 0.0021856600000000 ] - [ -0.0003982900000000, -0.0002818000000000, 0.0011496000000000 ] - [ -0.0000601600000000, -0.0008654000000000, -0.0014642300000000 ] - [ -0.0006963900000000, 0.0004393000000000, -0.0002893800000000 ] - [ -0.0004922800000000, 0.0003532600000000, 0.0013724300000000 ] - [ -0.0004967600000000, 0.0003406100000000, 0.0012932800000000 ] - [ -0.0005540600000000, -0.0004519200000000, -0.0017811400000000 ] - [ 0.0007928000000000, -0.0004435000000000, -0.0019694800000000 ] - [ 0.0003302800000000, -0.0001982900000000, 0.0013025900000000 ] - [ 0.0002029000000000, -0.0002067400000000, 0.0014054400000000 ] - [ 0.0010893800000000, 0.0040526800000000, 0.0011049100000000 ] - [ -0.0008119900000000, 0.0012064500000000, -0.0000757700000000 ] - [ -0.0003013800000000, -0.0000999800000000, 0.0017426300000000 ] - [ -0.0000402800000000, 0.0001283600000000, 0.0011400600000000 ] - [ 0.0169950100000000, -0.0061568300000000, -0.0753247200000000 ] - [ -0.0004367800000000, -0.0003515400000000, -0.0029471700000000 ] - [ -0.0001509700000000, -0.0004048600000000, 0.0019509800000000 ] - [ -0.0002126300000000, -0.0003984000000000, 0.0014826400000000 ] - [ 0.0022922800000000, -0.0012389700000000, 0.0000051000000000 ] - [ -0.0018849900000000, -0.0031307600000000, 0.0012589500000000 ] - [ -0.0001469400000000, 0.0005131600000000, 0.0014056900000000 ] - [ 0.0007432800000000, 0.0008040800000000, 0.0017401000000000 ] - [ -0.0007941100000000, 0.0001891700000000, -0.0000778900000000 ] - [ -0.0001520100000000, -0.0021739900000000, -0.0013670800000000 ] - [ -0.0007379400000000, 0.0004782000000000, -0.0006305100000000 ] - [ -0.0008715400000000, 0.0004834900000000, -0.0008030100000000 ] - [ -0.0003260700000000, -0.0004437500000000, -0.0000590600000000 ] - [ 0.0002398100000000, -0.0002238500000000, -0.0000785500000000 ] - [ 0.0000616900000000, 0.0002389400000000, -0.0003697500000000 ] - [ -0.0002075800000000, 0.0003082100000000, -0.0004189500000000 ] - [ -0.0040449300000000, 0.0032452200000000, -0.0020826700000000 ] - [ 0.0010548800000000, 0.0007921800000000, 0.0001292100000000 ] - [ 0.0001021300000000, -0.0000624600000000, -0.0007638600000000 ] - [ -0.0001641000000000, -0.0000268700000000, -0.0006801300000000 ] - [ -0.0000618100000000, -0.0111892000000000, -0.0064858000000000 ] - [ 0.0006045600000000, -0.0002400200000000, 0.0008785400000000 ] - [ 0.0001077500000000, 0.0000338100000000, -0.0003536600000000 ] - [ 0.0001187100000000, -0.0000005300000000, -0.0002138500000000 ] - [ -0.0001648600000000, 0.0000997300000000, 0.0013907200000000 ] - [ -0.0001765700000000, 0.0001670500000000, 0.0014199800000000 ] - [ 0.0000564400000000, 0.0001419000000000, -0.0003846500000000 ] - [ 0.0000450100000000, 0.0001406500000000, -0.0003855600000000 ] - [ 0.0018296100000000, 0.0002429700000000, -0.0029786200000000 ] - [ -0.0006334200000000, 0.0000155800000000, 0.0000659000000000 ] - [ -0.0000668000000000, 0.0001907600000000, -0.0013236500000000 ] - [ 0.0001867800000000, 0.0001878700000000, -0.0009176800000000 ] - [ -0.0377533800000000, 0.0049546400000000, 0.1233245100000000 ] - [ -0.0004157500000000, 0.0006968300000000, 0.0015018700000000 ] - [ -0.0004567700000000, 0.0002289800000000, -0.0009476100000000 ] - [ -0.0004693400000000, 0.0002339400000000, -0.0008144800000000 ] - [ -0.0000243800000000, 0.0008205800000000, 0.0007273300000000 ] - [ 0.0005980200000000, 0.0008334600000000, 0.0004163900000000 ] - [ 0.0001892800000000, 0.0002737600000000, -0.0001180400000000 ] - [ 0.0000050400000000, 0.0002242400000000, -0.0000805200000000 ] - [ 0.0001448100000000, 0.0000440900000000, 0.0014002300000000 ] - [ 0.0021769700000000, 0.0035721700000000, 0.0007895800000000 ] - [ 0.0006855800000000, -0.0003323200000000, -0.0003526000000000 ] - [ 0.0006068400000000, -0.0003762800000000, -0.0004963700000000 ] - [ -0.0009398500000000, -0.0016417800000000, 0.0012940600000000 ] - [ 0.0006001600000000, -0.0010310900000000, 0.0003879500000000 ] - [ 0.0000909300000000, -0.0001116700000000, -0.0009647700000000 ] - [ 0.0000339100000000, -0.0001270500000000, -0.0008468300000000 ] - [ 0.0003344300000000, 0.0003002300000000, 0.0004654800000000 ] - [ -0.0005686100000000, 0.0007508000000000, 0.0008279600000000 ] - [ -0.0002764800000000, -0.0001335600000000, -0.0007170800000000 ] - [ -0.0002313000000000, -0.0001381900000000, -0.0007577300000000 ] - [ 0.0005013200000000, -0.0010284200000000, 0.0010517200000000 ] - [ -0.0003037000000000, -0.0006454200000000, 0.0011295600000000 ] - [ 0.0001102200000000, -0.0003186400000000, -0.0001484800000000 ] - [ 0.0001713000000000, -0.0003138200000000, -0.0001497900000000 ] - [ 0.0007717300000000, -0.0005711900000000, 0.0012177200000000 ] - [ 0.0010211600000000, -0.0003145500000000, 0.0008872400000000 ] - [ 0.0005754600000000, -0.0006343700000000, -0.0002828900000000 ] - [ 0.0005843500000000, -0.0006281500000000, -0.0002275200000000 ] - [ 0.0004743200000000, 0.0014743300000000, -0.0003387900000000 ] - [ 0.0006797500000000, 0.0007325800000000, 0.0002173600000000 ] - [ 0.0005545800000000, 0.0003002100000000, -0.0004464700000000 ] - [ 0.0007367200000000, 0.0004559800000000, -0.0000642000000000 ] - [ 0.0007880100000000, 0.0003032400000000, 0.0003663100000000 ] - [ 0.0003466400000000, 0.0002072700000000, 0.0004725900000000 ] - [ 0.0005647000000000, 0.0002653700000000, -0.0002130600000000 ] - [ 0.0006790700000000, 0.0002751000000000, -0.0003264500000000 ] - [ -0.0015671700000000, -0.0013252400000000, -0.0021042300000000 ] - [ 0.0004985200000000, -0.0001816000000000, -0.0009382300000000 ] - [ -0.0000055400000000, 0.0005191000000000, -0.0012188200000000 ] - [ -0.0002712000000000, 0.0003617000000000, -0.0009316800000000 ] - [ 0.0000158700000000, -0.0005221800000000, 0.0003123800000000 ] - [ 0.0002833900000000, -0.0001391900000000, 0.0003945200000000 ] - [ 0.0001101000000000, 0.0001497600000000, -0.0002174000000000 ] - [ 0.0001217400000000, 0.0001197400000000, -0.0000759900000000 ] - [ -0.0006905300000000, 0.0000815200000000, -0.0002914500000000 ] - [ 0.0019339200000000, 0.0017714400000000, -0.0034579200000000 ] - [ -0.0001208700000000, 0.0000283600000000, -0.0006901600000000 ] - [ -0.0004776200000000, -0.0001398500000000, -0.0011885800000000 ] - [ 0.0003176600000000, -0.0006103600000000, 0.0003572900000000 ] - [ -0.0108750900000000, 0.0041900400000000, -0.0190264400000000 ] - [ -0.0008562400000000, -0.0003933800000000, -0.0007075000000000 ] - [ -0.0007782100000000, -0.0004435700000000, -0.0008900400000000 ] - [ 0.0108932400000000, -0.0052621700000000, 0.0004075200000000 ] - [ -0.0007307800000000, 0.0002281900000000, 0.0021982800000000 ] - [ -0.0001176200000000, -0.0000081200000000, -0.0005319900000000 ] - [ -0.0000594100000000, -0.0000317400000000, -0.0004769600000000 ] - [ 0.0120797400000000, 0.0119347200000000, -0.0066570300000000 ] - [ -0.0003116800000000, -0.0003254600000000, 0.0012618100000000 ] - [ -0.0001521200000000, -0.0003466100000000, -0.0010646100000000 ] - [ -0.0000970400000000, -0.0003010500000000, -0.0009864300000000 ] - [ -0.0004934300000000, -0.0006763700000000, -0.0010439700000000 ] - [ -0.0004414700000000, -0.0004117700000000, -0.0004905200000000 ] - [ -0.0004042300000000, 0.0003073700000000, -0.0010428000000000 ] - [ -0.0004320600000000, -0.0000926300000000, -0.0004930100000000 ] - [ -0.0002280500000000, 0.0001508500000000, -0.0004436600000000 ] - [ 0.0004591600000000, 0.0003559500000000, -0.0004882700000000 ] - [ 0.0004018100000000, -0.0004868300000000, -0.0003959700000000 ] - [ -0.0004488900000000, -0.0005484900000000, -0.0003283500000000 ] - [ 0.0003406500000000, 0.0007055600000000, 0.0002322000000000 ] - [ -0.0001643700000000, 0.0001883600000000, 0.0004603900000000 ] - [ -0.0000693300000000, -0.0001038400000000, -0.0006405800000000 ] - [ 0.0000304600000000, -0.0000997700000000, -0.0005836700000000 ]- atom: 77 displacement: [ 0.0099999598693730, 0.0000000000000000, -0.0000283303887883 ] forces: - [ 0.0035884500000000, -0.0000343900000000, -0.0014425700000000 ] - [ -0.0037893300000000, -0.0003107700000000, 0.0018219000000000 ] - [ -0.0002294100000000, -0.0004448300000000, 0.0002940700000000 ] - [ -0.0004985000000000, -0.0005644900000000, -0.0002103400000000 ] - [ 0.0061202900000000, 0.0009686600000000, -0.0019872500000000 ] - [ -0.0037534600000000, 0.0023864600000000, -0.0025153800000000 ] - [ -0.0002023300000000, 0.0005482600000000, -0.0001868500000000 ] - [ -0.0005041100000000, 0.0006593200000000, 0.0001868000000000 ] - [ 0.0005753300000000, -0.0006403800000000, 0.0000871700000000 ] - [ 0.0001377800000000, -0.0006530900000000, -0.0000031700000000 ] - [ 0.0014147500000000, -0.0010975900000000, 0.0000198400000000 ] - [ -0.0005508300000000, -0.0007844400000000, -0.0000602000000000 ] - [ 0.0020763800000000, -0.0000453500000000, 0.0001684200000000 ] - [ -0.0007642300000000, 0.0005187900000000, -0.0001142400000000 ] - [ 0.0005069800000000, 0.0005788800000000, -0.0000110900000000 ] - [ 0.0002091100000000, 0.0005804300000000, -0.0000385900000000 ] - [ 0.0063861800000000, -0.0012941500000000, -0.0011337700000000 ] - [ -0.0010472600000000, -0.0004697600000000, -0.0009421500000000 ] - [ 0.0005636000000000, -0.0003553300000000, -0.0007219600000000 ] - [ 0.0004603700000000, -0.0003517300000000, -0.0007383900000000 ] - [ 0.0009011200000000, 0.0003625500000000, -0.0005176400000000 ] - [ 0.0001448700000000, 0.0003808200000000, -0.0007919600000000 ] - [ 0.0008719300000000, 0.0003114700000000, -0.0013711000000000 ] - [ 0.0001076000000000, 0.0004386100000000, -0.0006982800000000 ] - [ -0.0001985400000000, 0.0004163400000000, 0.0011489500000000 ] - [ -0.0013532400000000, -0.0015593100000000, 0.0005690500000000 ] - [ -0.0004972800000000, -0.0003340200000000, 0.0007240500000000 ] - [ -0.0005237400000000, -0.0003474700000000, 0.0008108000000000 ] - [ -0.0003565900000000, 0.0001686400000000, 0.0004690500000000 ] - [ -0.0006540100000000, 0.0004279600000000, 0.0010000200000000 ] - [ -0.0005402300000000, 0.0001959400000000, 0.0009640100000000 ] - [ -0.0005314200000000, 0.0003629700000000, 0.0006662800000000 ] - [ 0.0012325400000000, -0.0001639500000000, 0.0006652700000000 ] - [ -0.0009312300000000, -0.0004573000000000, -0.0003158900000000 ] - [ 0.0016340600000000, -0.0001631800000000, -0.0004870600000000 ] - [ -0.0008363300000000, -0.0003747000000000, 0.0006215400000000 ] - [ 0.0003804300000000, -0.0029649000000000, -0.0000880100000000 ] - [ -0.0013974100000000, 0.0025441500000000, -0.0003139700000000 ] - [ -0.0002013600000000, 0.0002628400000000, 0.0000255400000000 ] - [ -0.0002311300000000, 0.0002890200000000, 0.0000048600000000 ] - [ 0.0001184100000000, 0.0003075400000000, -0.0003283900000000 ] - [ -0.0006390900000000, -0.0007098600000000, 0.0007293400000000 ] - [ -0.0000440300000000, -0.0001476200000000, 0.0001029600000000 ] - [ -0.0003685000000000, -0.0006306300000000, -0.0005765300000000 ] - [ 0.0263283700000000, 0.0113550700000000, 0.0020540200000000 ] - [ -0.0048120000000000, 0.0014844100000000, -0.0005260200000000 ] - [ 0.0003545200000000, 0.0003292000000000, 0.0000543700000000 ] - [ 0.0000727300000000, 0.0003219300000000, 0.0000221700000000 ] - [ -0.0011616500000000, 0.0000054900000000, -0.0003468000000000 ] - [ -0.0001061200000000, 0.0012771900000000, 0.0000728700000000 ] - [ -0.0007245200000000, 0.0005200400000000, -0.0002148300000000 ] - [ -0.0006576100000000, 0.0005418900000000, -0.0002071200000000 ] - [ -0.0017815900000000, 0.0020779800000000, -0.0004527200000000 ] - [ 0.0010960700000000, -0.0001922100000000, 0.0003294100000000 ] - [ -0.0000675900000000, 0.0000516800000000, 0.0000878500000000 ] - [ 0.0000136900000000, 0.0000394600000000, 0.0001083400000000 ] - [ -0.0027368300000000, -0.0060025300000000, 0.0008452800000000 ] - [ 0.0014295000000000, 0.0002261400000000, -0.0002744500000000 ] - [ -0.0000210100000000, 0.0000162100000000, -0.0001364400000000 ] - [ 0.0000734900000000, 0.0000322500000000, -0.0000952100000000 ] - [ 0.0005105100000000, -0.0007080100000000, 0.0010125900000000 ] - [ 0.0002924900000000, 0.0001103000000000, -0.0002620800000000 ] - [ 0.0001708200000000, -0.0003256600000000, 0.0000101200000000 ] - [ 0.0002385700000000, 0.0000932800000000, 0.0006764600000000 ] - [ -0.0022970200000000, -0.0000666200000000, -0.0002713300000000 ] - [ 0.0006669800000000, 0.0000158500000000, 0.0002123700000000 ] - [ -0.0001502100000000, 0.0001523600000000, 0.0001331400000000 ] - [ 0.0001362400000000, 0.0001352400000000, 0.0002234300000000 ] - [ -0.0000980200000000, 0.0000753300000000, -0.0001598400000000 ] - [ 0.0001088200000000, 0.0002159500000000, -0.0003742900000000 ] - [ -0.0002881200000000, 0.0002386600000000, -0.0002995100000000 ] - [ 0.0002732400000000, 0.0003815700000000, 0.0000779600000000 ] - [ -0.0005175200000000, 0.0000187800000000, -0.0000511400000000 ] - [ -0.0002578600000000, 0.0008308600000000, -0.0006686300000000 ] - [ -0.0005452700000000, 0.0002369700000000, -0.0002665100000000 ] - [ -0.0005715500000000, 0.0003201400000000, -0.0000821900000000 ] - [ -0.0523055800000000, -0.0248915400000000, 0.0085901100000000 ] - [ 0.0018177500000000, 0.0004458100000000, 0.0004010500000000 ] - [ 0.0000724600000000, 0.0003037000000000, 0.0003618300000000 ] - [ 0.0001789100000000, 0.0003249000000000, 0.0003836200000000 ] - [ 0.0070090500000000, 0.0116403300000000, -0.0118865900000000 ] - [ 0.0020753200000000, -0.0007172200000000, 0.0004267900000000 ] - [ 0.0004865200000000, -0.0002772600000000, 0.0002244100000000 ] - [ 0.0006355700000000, -0.0002891400000000, 0.0001727700000000 ] - [ -0.0004732400000000, 0.0003946500000000, 0.0002061700000000 ] - [ 0.0004876600000000, -0.0004997200000000, -0.0005747100000000 ] - [ -0.0000109500000000, -0.0001232200000000, -0.0003016900000000 ] - [ 0.0000266100000000, -0.0001462400000000, -0.0002157800000000 ] - [ -0.0003756200000000, -0.0001172200000000, -0.0003827800000000 ] - [ 0.0000245000000000, 0.0000813400000000, -0.0001164900000000 ] - [ -0.0004313100000000, -0.0001194200000000, -0.0001458000000000 ] - [ 0.0000040600000000, 0.0000658300000000, -0.0003426400000000 ] - [ -0.0006136000000000, -0.0001238500000000, 0.0005921300000000 ] - [ 0.0005649400000000, -0.0004668800000000, 0.0002376500000000 ] - [ -0.0006152300000000, -0.0005186300000000, 0.0001034500000000 ] - [ 0.0005655500000000, -0.0004529500000000, 0.0004946500000000 ] - [ 0.0014067200000000, 0.0000970500000000, 0.0009420400000000 ] - [ 0.0004745000000000, -0.0009096900000000, -0.0004306100000000 ] - [ 0.0008311000000000, -0.0005337600000000, -0.0001253400000000 ] - [ 0.0006516800000000, -0.0005234600000000, 0.0004355900000000 ] - [ 0.0058167800000000, -0.0022469200000000, -0.0010968100000000 ] - [ 0.0109423300000000, 0.0058127500000000, 0.0054109400000000 ] - [ 0.0007244100000000, 0.0005084600000000, 0.0002379500000000 ] - [ 0.0006635000000000, 0.0005174200000000, 0.0001625000000000 ] - [ 0.0004033600000000, 0.0002764000000000, 0.0000751000000000 ] - [ 0.0007188700000000, 0.0002870700000000, 0.0003500500000000 ] - [ -0.0003473800000000, -0.0003496700000000, 0.0016115600000000 ] - [ 0.0020875800000000, 0.0006201500000000, -0.0003944000000000 ] - [ -0.0004571200000000, 0.0005346800000000, -0.0003852500000000 ] - [ 0.0002423100000000, 0.0003674200000000, -0.0003583400000000 ] - [ -0.0001520500000000, 0.0003316300000000, -0.0003935000000000 ] - [ -0.0001050600000000, 0.0003342100000000, -0.0003957600000000 ] - [ 0.0028689500000000, 0.0037141500000000, 0.0001882200000000 ] - [ 0.0030271400000000, -0.0034741500000000, 0.0004015300000000 ] - [ 0.0001857900000000, 0.0000825200000000, 0.0002257200000000 ] - [ 0.0001709200000000, 0.0000589800000000, 0.0002306700000000 ] - [ -0.0009937400000000, 0.0019746400000000, -0.0001144700000000 ] - [ 0.0005250800000000, -0.0005454900000000, -0.0000980800000000 ] - [ -0.0002196700000000, 0.0000586800000000, -0.0002655200000000 ] - [ -0.0001447500000000, 0.0000548100000000, -0.0002304700000000 ] - [ -0.0008713600000000, -0.0003911200000000, -0.0004023100000000 ] - [ -0.0005321500000000, -0.0006649000000000, -0.0001089600000000 ] - [ -0.0008559800000000, -0.0003233600000000, -0.0000941300000000 ] - [ -0.0005648100000000, -0.0005663700000000, -0.0002171400000000 ] - [ -0.0008411900000000, -0.0003763500000000, 0.0001110200000000 ] - [ 0.0003954600000000, 0.0000607500000000, 0.0000014700000000 ] - [ -0.0001858500000000, -0.0000502700000000, 0.0001288200000000 ] - [ 0.0001394400000000, -0.0000358300000000, 0.0002245300000000 ] - [ -0.0002811600000000, -0.0003338000000000, -0.0003312200000000 ] - [ 0.0000675900000000, -0.0002201400000000, -0.0005332300000000 ] - [ -0.0001837100000000, -0.0002199800000000, -0.0004308100000000 ] - [ -0.0000353800000000, -0.0002498600000000, -0.0002863100000000 ] - [ -0.0003874600000000, 0.0003590300000000, -0.0005722400000000 ] - [ -0.0006009900000000, -0.0006630000000000, 0.0002281900000000 ] - [ -0.0005595400000000, -0.0002518500000000, -0.0001885000000000 ] - [ -0.0005512000000000, -0.0002579500000000, -0.0002490900000000 ] - [ -0.0055920200000000, 0.0010584500000000, 0.0022887100000000 ] - [ 0.0016066300000000, -0.0001150300000000, 0.0000461000000000 ] - [ -0.0000933900000000, -0.0001784800000000, 0.0002284900000000 ] - [ 0.0000804300000000, -0.0001528200000000, 0.0002300000000000 ] - [ -0.0001832200000000, -0.0000094100000000, -0.0001343700000000 ] - [ 0.0002201100000000, -0.0000377000000000, -0.0001599900000000 ] - [ -0.0008903100000000, 0.0005819000000000, -0.0008533000000000 ] - [ 0.0004973300000000, -0.0001426300000000, 0.0001463700000000 ]- atom: 77 displacement: [ -0.0099999598693730, 0.0000000000000000, 0.0000283303887883 ] forces: - [ -0.0042230700000000, -0.0012244100000000, 0.0015742800000000 ] - [ 0.0030680400000000, -0.0009148600000000, -0.0018208600000000 ] - [ -0.0004817400000000, -0.0007819800000000, -0.0002848900000000 ] - [ -0.0002165600000000, -0.0006633100000000, 0.0002205000000000 ] - [ -0.0066956200000000, 0.0003299300000000, 0.0017840400000000 ] - [ 0.0030400300000000, -0.0011681100000000, 0.0025374700000000 ] - [ -0.0005094800000000, 0.0006798300000000, 0.0001969000000000 ] - [ -0.0002107200000000, 0.0005694900000000, -0.0001774800000000 ] - [ 0.0001386600000000, -0.0005875000000000, -0.0000950200000000 ] - [ 0.0005756900000000, -0.0005757800000000, -0.0000068600000000 ] - [ -0.0007019100000000, -0.0001354100000000, -0.0000340200000000 ] - [ 0.0012641900000000, -0.0004474400000000, 0.0000531100000000 ] - [ -0.0013678000000000, 0.0012646000000000, -0.0001692500000000 ] - [ 0.0014781000000000, 0.0007105200000000, 0.0001018600000000 ] - [ 0.0002067900000000, 0.0006492500000000, 0.0000005100000000 ] - [ 0.0005045800000000, 0.0006481700000000, 0.0000296900000000 ] - [ -0.0053633300000000, 0.0006955800000000, -0.0003532900000000 ] - [ 0.0020639500000000, -0.0002277100000000, -0.0005757200000000 ] - [ 0.0004579700000000, -0.0003394400000000, -0.0007910800000000 ] - [ 0.0005618300000000, -0.0003428100000000, -0.0007751700000000 ] - [ 0.0001216300000000, 0.0003319100000000, -0.0009963700000000 ] - [ 0.0008772700000000, 0.0003143200000000, -0.0007231100000000 ] - [ 0.0001450100000000, 0.0003821000000000, -0.0001599900000000 ] - [ 0.0009156200000000, 0.0002579400000000, -0.0008130800000000 ] - [ -0.0008082200000000, -0.0011123000000000, 0.0003603200000000 ] - [ 0.0003265400000000, 0.0008721800000000, 0.0009442200000000 ] - [ -0.0005247600000000, -0.0003600700000000, 0.0007903300000000 ] - [ -0.0004987500000000, -0.0003468800000000, 0.0007025600000000 ] - [ -0.0006617800000000, 0.0005262000000000, 0.0010449000000000 ] - [ -0.0003703000000000, 0.0002667200000000, 0.0005128500000000 ] - [ -0.0004802900000000, 0.0004975200000000, 0.0005510200000000 ] - [ -0.0004915700000000, 0.0003312000000000, 0.0008477200000000 ] - [ -0.0008110900000000, -0.0004396600000000, -0.0005983100000000 ] - [ 0.0013590900000000, -0.0001459200000000, 0.0003618600000000 ] - [ -0.0012015300000000, -0.0004350100000000, 0.0005363400000000 ] - [ 0.0012632200000000, -0.0002287400000000, -0.0005646200000000 ] - [ -0.0007839400000000, 0.0035442700000000, 0.0000405100000000 ] - [ 0.0009618000000000, -0.0019533800000000, 0.0002617800000000 ] - [ -0.0002264500000000, 0.0003385900000000, -0.0000758500000000 ] - [ -0.0001982800000000, 0.0003124900000000, -0.0000552700000000 ] - [ -0.0005441600000000, -0.0009057400000000, 0.0002792600000000 ] - [ 0.0002075900000000, 0.0001087300000000, -0.0007800900000000 ] - [ -0.0003771300000000, -0.0004545600000000, -0.0001591800000000 ] - [ -0.0000657100000000, 0.0000289400000000, 0.0005262200000000 ] - [ -0.0261744600000000, -0.0116505400000000, -0.0021565200000000 ] - [ 0.0052253600000000, -0.0008660100000000, 0.0005658200000000 ] - [ 0.0000743600000000, 0.0002729600000000, -0.0000035000000000 ] - [ 0.0003559900000000, 0.0002803100000000, 0.0000287900000000 ] - [ -0.0002204300000000, 0.0010349200000000, -0.0000571600000000 ] - [ -0.0012809200000000, -0.0002326500000000, -0.0004767500000000 ] - [ -0.0006624600000000, 0.0005179100000000, -0.0001910100000000 ] - [ -0.0007297100000000, 0.0004959900000000, -0.0001988700000000 ] - [ 0.0017062600000000, -0.0020289300000000, 0.0006839800000000 ] - [ -0.0011474800000000, 0.0002673200000000, -0.0001053000000000 ] - [ 0.0000154800000000, 0.0000201200000000, 0.0001370600000000 ] - [ -0.0000652200000000, 0.0000323300000000, 0.0001169800000000 ] - [ 0.0027341900000000, 0.0061335800000000, -0.0010884600000000 ] - [ -0.0013764900000000, -0.0001578900000000, 0.0000524700000000 ] - [ 0.0000726700000000, 0.0000552600000000, -0.0000893400000000 ] - [ -0.0000214900000000, 0.0000393700000000, -0.0001305300000000 ] - [ -0.0001471300000000, 0.0005770400000000, -0.0005239500000000 ] - [ 0.0000704100000000, -0.0002380200000000, 0.0007479700000000 ] - [ 0.0001882000000000, 0.0001955800000000, 0.0004750700000000 ] - [ 0.0001275000000000, -0.0002215100000000, -0.0001898500000000 ] - [ 0.0022885800000000, 0.0003538500000000, 0.0006968800000000 ] - [ -0.0006804700000000, 0.0002936500000000, 0.0002640200000000 ] - [ 0.0001348600000000, 0.0001561800000000, 0.0003395700000000 ] - [ -0.0001505000000000, 0.0001740600000000, 0.0002479200000000 ] - [ 0.0001126700000000, 0.0002334000000000, -0.0003132900000000 ] - [ -0.0000930700000000, 0.0000931900000000, -0.0000985700000000 ] - [ 0.0002970700000000, 0.0000757700000000, -0.0001689500000000 ] - [ -0.0002561500000000, -0.0000737100000000, -0.0005529400000000 ] - [ -0.0006023800000000, 0.0005120100000000, -0.0003562400000000 ] - [ -0.0008564800000000, -0.0003002400000000, 0.0002630300000000 ] - [ -0.0005721700000000, 0.0002938700000000, -0.0001383000000000 ] - [ -0.0005442100000000, 0.0002107300000000, -0.0003220400000000 ] - [ 0.0527188800000000, 0.0263891900000000, -0.0076693100000000 ] - [ -0.0015629000000000, 0.0002032200000000, 0.0003684900000000 ] - [ 0.0001801600000000, 0.0003449800000000, 0.0004050300000000 ] - [ 0.0000742700000000, 0.0003238400000000, 0.0003832600000000 ] - [ -0.0058840200000000, -0.0123078300000000, 0.0124203600000000 ] - [ -0.0009565600000000, 0.0001825000000000, -0.0000167900000000 ] - [ 0.0006306000000000, -0.0002536100000000, 0.0001801400000000 ] - [ 0.0004812600000000, -0.0002417600000000, 0.0002313200000000 ] - [ 0.0004826200000000, -0.0007011700000000, -0.0006778300000000 ] - [ -0.0004713600000000, 0.0001927600000000, 0.0001034200000000 ] - [ 0.0000257900000000, -0.0001852100000000, -0.0001717800000000 ] - [ -0.0000109800000000, -0.0001624100000000, -0.0002578100000000 ] - [ 0.0000161900000000, -0.0000121900000000, -0.0001054600000000 ] - [ -0.0003867900000000, -0.0002075200000000, -0.0003686900000000 ] - [ 0.0000691400000000, -0.0000073500000000, -0.0003401300000000 ] - [ -0.0003668300000000, -0.0001916300000000, -0.0001452100000000 ] - [ 0.0008628600000000, -0.0005207400000000, 0.0001729600000000 ] - [ -0.0003112400000000, -0.0001823200000000, 0.0005305500000000 ] - [ 0.0008640300000000, -0.0001363500000000, 0.0006660300000000 ] - [ -0.0003121700000000, -0.0001962900000000, 0.0002698100000000 ] - [ -0.0000205200000000, -0.0011339000000000, -0.0005341900000000 ] - [ 0.0009176700000000, -0.0001268200000000, 0.0008358500000000 ] - [ 0.0005556800000000, -0.0005043400000000, 0.0005278800000000 ] - [ 0.0007369500000000, -0.0005139800000000, -0.0000297000000000 ] - [ -0.0043518900000000, 0.0032367500000000, 0.0014672400000000 ] - [ -0.0097204900000000, -0.0048891500000000, -0.0050938400000000 ] - [ 0.0006627200000000, 0.0005294900000000, 0.0001675000000000 ] - [ 0.0007242900000000, 0.0005203400000000, 0.0002429300000000 ] - [ 0.0007137500000000, 0.0002544400000000, 0.0003290000000000 ] - [ 0.0003979900000000, 0.0002437100000000, 0.0000554300000000 ] - [ 0.0014677900000000, 0.0008790800000000, -0.0012052500000000 ] - [ -0.0009695300000000, -0.0000883800000000, 0.0007965800000000 ] - [ 0.0002011200000000, 0.0001195700000000, -0.0003815500000000 ] - [ -0.0004928500000000, 0.0002822400000000, -0.0004088200000000 ] - [ -0.0001005500000000, 0.0003176100000000, -0.0003742100000000 ] - [ -0.0001470100000000, 0.0003149800000000, -0.0003718700000000 ] - [ -0.0024685900000000, -0.0035316900000000, 0.0002943700000000 ] - [ -0.0026923800000000, 0.0036410000000000, 0.0000861100000000 ] - [ 0.0001760500000000, 0.0000453200000000, 0.0002597800000000 ] - [ 0.0001913400000000, 0.0000687900000000, 0.0002550200000000 ] - [ 0.0006451800000000, -0.0018430900000000, -0.0003712800000000 ] - [ -0.0008892900000000, 0.0006659400000000, -0.0003864100000000 ] - [ -0.0001420600000000, 0.0000692300000000, -0.0002207500000000 ] - [ -0.0002173000000000, 0.0000728900000000, -0.0002559000000000 ] - [ -0.0005154900000000, -0.0006468600000000, -0.0000038600000000 ] - [ -0.0008554200000000, -0.0003732000000000, -0.0002972100000000 ] - [ -0.0005283900000000, -0.0007129500000000, -0.0003101300000000 ] - [ -0.0008247800000000, -0.0004708400000000, -0.0001891500000000 ] - [ 0.0007874400000000, 0.0003017600000000, 0.0001120900000000 ] - [ -0.0004455900000000, -0.0001330600000000, 0.0002249400000000 ] - [ 0.0001328100000000, -0.0000208800000000, 0.0000993800000000 ] - [ -0.0001899600000000, -0.0000362300000000, 0.0000000700000000 ] - [ 0.0000275500000000, -0.0003149200000000, -0.0004369800000000 ] - [ -0.0003192900000000, -0.0004282200000000, -0.0002337200000000 ] - [ -0.0000696700000000, -0.0004266400000000, -0.0003354200000000 ] - [ -0.0002162600000000, -0.0003980400000000, -0.0004816400000000 ] - [ -0.0007337100000000, -0.0008850700000000, 0.0001662400000000 ] - [ -0.0005124700000000, 0.0001350000000000, -0.0006346900000000 ] - [ -0.0005573800000000, -0.0002782500000000, -0.0002171600000000 ] - [ -0.0005649100000000, -0.0002721200000000, -0.0001563000000000 ] - [ 0.0055951300000000, -0.0012649800000000, -0.0016742600000000 ] - [ -0.0016182600000000, -0.0001967400000000, 0.0004226400000000 ] - [ 0.0000781900000000, -0.0001304200000000, 0.0002439700000000 ] - [ -0.0000946700000000, -0.0001562500000000, 0.0002429000000000 ] - [ 0.0002330500000000, -0.0000626800000000, -0.0000952200000000 ] - [ -0.0001666300000000, -0.0000335600000000, -0.0000651000000000 ] - [ 0.0009363100000000, -0.0006472700000000, 0.0006234800000000 ] - [ -0.0004444700000000, 0.0000729600000000, -0.0003739200000000 ]- atom: 77 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0000161200000000, 0.0069804000000000, 0.0001321900000000 ] - [ -0.0021350400000000, 0.0014182300000000, 0.0009098900000000 ] - [ -0.0002651400000000, -0.0002025100000000, 0.0000300900000000 ] - [ -0.0004256800000000, -0.0002967400000000, -0.0000280200000000 ] - [ -0.0009894500000000, 0.0067810200000000, 0.0016745600000000 ] - [ -0.0000780200000000, 0.0030797800000000, 0.0000010900000000 ] - [ -0.0004426000000000, 0.0009265600000000, -0.0001247100000000 ] - [ -0.0002909900000000, 0.0008338100000000, 0.0000264700000000 ] - [ 0.0003681700000000, -0.0011337300000000, -0.0000765700000000 ] - [ 0.0003334500000000, -0.0008868100000000, 0.0000475200000000 ] - [ 0.0008964700000000, -0.0038142700000000, 0.0014572200000000 ] - [ 0.0000584800000000, -0.0015871200000000, 0.0003458700000000 ] - [ -0.0000261400000000, -0.0042743600000000, 0.0010501900000000 ] - [ 0.0002995300000000, -0.0006587200000000, -0.0001867900000000 ] - [ 0.0003741400000000, 0.0003475400000000, -0.0000612100000000 ] - [ 0.0003362000000000, 0.0004557000000000, 0.0000096700000000 ] - [ 0.0005692000000000, 0.0049747800000000, -0.0006918800000000 ] - [ -0.0003151300000000, -0.0000516600000000, -0.0011302800000000 ] - [ 0.0005262300000000, -0.0003341200000000, -0.0006811100000000 ] - [ 0.0004974800000000, -0.0003375600000000, -0.0006875500000000 ] - [ 0.0005651400000000, 0.0005598400000000, -0.0002431600000000 ] - [ 0.0005523700000000, 0.0004238300000000, -0.0005875500000000 ] - [ 0.0000739100000000, 0.0003113500000000, -0.0029208400000000 ] - [ 0.0004915800000000, 0.0004726600000000, -0.0009459000000000 ] - [ 0.0012712900000000, -0.0021112300000000, -0.0006120500000000 ] - [ -0.0015038600000000, -0.0011493600000000, 0.0004338800000000 ] - [ -0.0005043300000000, -0.0003594400000000, 0.0008513600000000 ] - [ -0.0005162800000000, -0.0003624200000000, 0.0008429600000000 ] - [ -0.0009450300000000, -0.0001372300000000, 0.0000236100000000 ] - [ -0.0002851400000000, 0.0001514900000000, 0.0004795200000000 ] - [ -0.0005888600000000, 0.0001473900000000, 0.0010615900000000 ] - [ -0.0004271900000000, 0.0002435400000000, 0.0009093600000000 ] - [ 0.0016013400000000, 0.0005827800000000, -0.0031897900000000 ] - [ 0.0000020300000000, 0.0000872200000000, -0.0003260600000000 ] - [ 0.0003637000000000, 0.0004161200000000, 0.0015423400000000 ] - [ -0.0001915700000000, -0.0000927800000000, 0.0007453900000000 ] - [ -0.0037593000000000, -0.0056456300000000, -0.0010264400000000 ] - [ 0.0013407300000000, -0.0025143300000000, 0.0000255500000000 ] - [ -0.0002450400000000, 0.0001926800000000, 0.0000642400000000 ] - [ -0.0001873500000000, 0.0002157500000000, 0.0000588200000000 ] - [ 0.0001726900000000, -0.0010744300000000, 0.0008974200000000 ] - [ -0.0006175500000000, -0.0009317700000000, 0.0008090600000000 ] - [ 0.0003363800000000, -0.0009011000000000, -0.0008908700000000 ] - [ -0.0005431700000000, -0.0009001300000000, -0.0005341600000000 ] - [ 0.0134935900000000, 0.0464219000000000, 0.0040972300000000 ] - [ 0.0005645300000000, 0.0012425400000000, -0.0002157900000000 ] - [ 0.0002348200000000, 0.0004094100000000, 0.0001246400000000 ] - [ 0.0001922200000000, 0.0003828700000000, 0.0001584100000000 ] - [ -0.0009204200000000, 0.0023764200000000, 0.0002271400000000 ] - [ -0.0000703100000000, 0.0016324400000000, 0.0001464200000000 ] - [ -0.0006891100000000, 0.0005775300000000, -0.0002242900000000 ] - [ -0.0006733400000000, 0.0005674800000000, -0.0002267000000000 ] - [ 0.0030411800000000, 0.0111229500000000, -0.0035921500000000 ] - [ -0.0003229900000000, 0.0002807300000000, -0.0001796400000000 ] - [ -0.0000204100000000, 0.0000647600000000, 0.0001191900000000 ] - [ -0.0000307700000000, 0.0000512000000000, 0.0000818500000000 ] - [ -0.0059337400000000, 0.0196126200000000, -0.0048236300000000 ] - [ 0.0005780800000000, 0.0000902000000000, -0.0001456800000000 ] - [ 0.0000162600000000, 0.0000131100000000, -0.0001327400000000 ] - [ 0.0000338500000000, 0.0000209700000000, -0.0001442100000000 ] - [ -0.0000470800000000, -0.0000597500000000, -0.0001396700000000 ] - [ 0.0003442400000000, -0.0000584200000000, -0.0002472400000000 ] - [ -0.0000046300000000, -0.0002606700000000, 0.0004392200000000 ] - [ 0.0005339000000000, -0.0000202000000000, 0.0007235700000000 ] - [ -0.0010720800000000, 0.0015440600000000, 0.0085903100000000 ] - [ 0.0001612500000000, -0.0002070100000000, 0.0005093600000000 ] - [ -0.0000069800000000, -0.0000012400000000, 0.0000340200000000 ] - [ 0.0000533600000000, 0.0000924000000000, 0.0001112600000000 ] - [ 0.0000097000000000, 0.0003124200000000, -0.0004874700000000 ] - [ 0.0000741900000000, 0.0002661100000000, -0.0003962300000000 ] - [ -0.0004503900000000, 0.0012084300000000, 0.0005370800000000 ] - [ 0.0002454800000000, 0.0005169400000000, 0.0000297100000000 ] - [ -0.0010464200000000, 0.0008132000000000, -0.0007047400000000 ] - [ -0.0000723700000000, 0.0009466900000000, -0.0007007700000000 ] - [ -0.0006039800000000, 0.0003595400000000, -0.0001527300000000 ] - [ -0.0005301500000000, 0.0003681400000000, -0.0001014100000000 ] - [ -0.0244540700000000, -0.1112056200000000, -0.0111608900000000 ] - [ 0.0002468200000000, -0.0005786800000000, 0.0004820000000000 ] - [ 0.0001055000000000, 0.0002361000000000, 0.0003529700000000 ] - [ 0.0001267000000000, 0.0002643600000000, 0.0003481600000000 ] - [ 0.0128692300000000, 0.0062987500000000, -0.0117995500000000 ] - [ 0.0002517300000000, -0.0006021100000000, 0.0001976300000000 ] - [ 0.0005582300000000, -0.0003250600000000, 0.0002245700000000 ] - [ 0.0005690900000000, -0.0003121700000000, 0.0001795000000000 ] - [ 0.0002557800000000, 0.0015393500000000, 0.0007182600000000 ] - [ -0.0003661800000000, 0.0003977100000000, 0.0001627700000000 ] - [ 0.0000071800000000, -0.0000829500000000, -0.0003368900000000 ] - [ -0.0000014000000000, -0.0001019300000000, -0.0003099600000000 ] - [ -0.0005529900000000, 0.0004728100000000, 0.0002718900000000 ] - [ -0.0000534400000000, -0.0000057800000000, -0.0000611300000000 ] - [ -0.0003568500000000, 0.0001577800000000, -0.0005762200000000 ] - [ -0.0001147300000000, 0.0000645100000000, -0.0004261000000000 ] - [ 0.0003196500000000, -0.0014659000000000, 0.0006061900000000 ] - [ 0.0002537600000000, -0.0006549300000000, 0.0002541000000000 ] - [ -0.0000715300000000, -0.0014634000000000, 0.0004053800000000 ] - [ 0.0002679900000000, -0.0006545200000000, 0.0003194400000000 ] - [ 0.0006938500000000, -0.0012844100000000, 0.0002972500000000 ] - [ -0.0000944400000000, -0.0013215700000000, 0.0003698100000000 ] - [ 0.0007277900000000, -0.0006779700000000, -0.0000986800000000 ] - [ 0.0005122000000000, -0.0007696000000000, -0.0001202800000000 ] - [ -0.0007197600000000, -0.0009155600000000, 0.0010684200000000 ] - [ 0.0062906600000000, -0.0005703700000000, 0.0025896200000000 ] - [ 0.0007190900000000, 0.0004532500000000, 0.0001752300000000 ] - [ 0.0006966700000000, 0.0004641100000000, 0.0001682500000000 ] - [ 0.0004682300000000, 0.0001185200000000, 0.0003957400000000 ] - [ 0.0006155800000000, 0.0001908900000000, 0.0002405400000000 ] - [ -0.0002010500000000, -0.0001377000000000, -0.0014547100000000 ] - [ 0.0014896800000000, 0.0003209800000000, -0.0002840400000000 ] - [ -0.0003305100000000, 0.0034264100000000, 0.0000267900000000 ] - [ -0.0001700900000000, 0.0011610100000000, -0.0003242400000000 ] - [ -0.0001334100000000, 0.0004097100000000, -0.0004148900000000 ] - [ -0.0001360600000000, 0.0003900400000000, -0.0004203900000000 ] - [ 0.0037149200000000, 0.0016782100000000, 0.0003612300000000 ] - [ -0.0034044800000000, 0.0015901800000000, -0.0000121300000000 ] - [ 0.0001908300000000, 0.0000593900000000, 0.0002082100000000 ] - [ 0.0001616500000000, 0.0000575900000000, 0.0002072800000000 ] - [ 0.0015319500000000, 0.0028715500000000, 0.0002296000000000 ] - [ -0.0006074600000000, 0.0003749100000000, -0.0001214000000000 ] - [ -0.0001888100000000, 0.0000753200000000, -0.0002836600000000 ] - [ -0.0001854100000000, 0.0000698900000000, -0.0002898300000000 ] - [ -0.0007526700000000, -0.0002239300000000, -0.0004678100000000 ] - [ -0.0007996900000000, -0.0003188700000000, -0.0003960700000000 ] - [ -0.0007777700000000, 0.0001876700000000, -0.0001047700000000 ] - [ -0.0008940100000000, -0.0002217600000000, -0.0001738400000000 ] - [ -0.0004295100000000, 0.0002906800000000, -0.0007591900000000 ] - [ 0.0001137300000000, 0.0000920700000000, -0.0000370300000000 ] - [ -0.0001584000000000, 0.0000757700000000, 0.0005188200000000 ] - [ 0.0000730100000000, -0.0000074800000000, 0.0002350200000000 ] - [ -0.0001353600000000, 0.0003348500000000, -0.0004527700000000 ] - [ -0.0000225300000000, 0.0000577800000000, -0.0004474000000000 ] - [ -0.0000223300000000, 0.0001884100000000, -0.0003953800000000 ] - [ -0.0000521900000000, -0.0000566800000000, -0.0003968300000000 ] - [ 0.0004299400000000, 0.0008665600000000, -0.0008879900000000 ] - [ -0.0009007600000000, 0.0003838100000000, -0.0005313400000000 ] - [ -0.0005194100000000, -0.0001969400000000, -0.0001958000000000 ] - [ -0.0005826600000000, -0.0002112000000000, -0.0001921600000000 ] - [ 0.0008581500000000, 0.0089018300000000, 0.0192168200000000 ] - [ 0.0000628600000000, -0.0003962700000000, 0.0005302900000000 ] - [ -0.0000264800000000, -0.0002475900000000, 0.0001332000000000 ] - [ -0.0000036600000000, -0.0002040800000000, 0.0001315100000000 ] - [ 0.0002598200000000, 0.0001309000000000, 0.0007156000000000 ] - [ -0.0000048600000000, -0.0000598200000000, -0.0000155400000000 ] - [ -0.0001521500000000, 0.0001651400000000, -0.0009714000000000 ] - [ 0.0000896100000000, -0.0000767200000000, -0.0002211000000000 ]- atom: 77 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0006951500000000, -0.0082253300000000, -0.0000544500000000 ] - [ 0.0014204400000000, -0.0026449100000000, -0.0008952100000000 ] - [ -0.0004477000000000, -0.0010257700000000, -0.0000230900000000 ] - [ -0.0002866100000000, -0.0009307200000000, 0.0000358600000000 ] - [ 0.0002834500000000, -0.0055190800000000, -0.0016851900000000 ] - [ -0.0006391100000000, -0.0018366900000000, 0.0000044500000000 ] - [ -0.0002702600000000, 0.0003039900000000, 0.0001351100000000 ] - [ -0.0004214900000000, 0.0003958300000000, -0.0000176100000000 ] - [ 0.0003448400000000, -0.0000930900000000, 0.0000651700000000 ] - [ 0.0003793300000000, -0.0003400200000000, -0.0000577300000000 ] - [ -0.0001777800000000, 0.0025780000000000, -0.0014442800000000 ] - [ 0.0006527600000000, 0.0003595900000000, -0.0003504600000000 ] - [ 0.0007500500000000, 0.0055043300000000, -0.0010769700000000 ] - [ 0.0004112900000000, 0.0018820200000000, 0.0001762400000000 ] - [ 0.0003388200000000, 0.0008808800000000, 0.0000534100000000 ] - [ 0.0003766800000000, 0.0007726800000000, -0.0000182500000000 ] - [ 0.0001749200000000, -0.0049776800000000, -0.0005916200000000 ] - [ 0.0013371300000000, -0.0006374700000000, -0.0003845300000000 ] - [ 0.0004965600000000, -0.0003594300000000, -0.0008335200000000 ] - [ 0.0005250300000000, -0.0003560800000000, -0.0008268500000000 ] - [ 0.0004573400000000, 0.0001336400000000, -0.0012713200000000 ] - [ 0.0004725500000000, 0.0002707400000000, -0.0009270800000000 ] - [ 0.0009495200000000, 0.0003807500000000, 0.0014020500000000 ] - [ 0.0005318000000000, 0.0002208200000000, -0.0005712500000000 ] - [ -0.0023049900000000, 0.0014111900000000, 0.0021408700000000 ] - [ 0.0004829600000000, 0.0004478800000000, 0.0010822100000000 ] - [ -0.0005186600000000, -0.0003345300000000, 0.0006634400000000 ] - [ -0.0005068200000000, -0.0003313700000000, 0.0006713700000000 ] - [ -0.0000792800000000, 0.0008355800000000, 0.0014859400000000 ] - [ -0.0007363300000000, 0.0005452700000000, 0.0010324700000000 ] - [ -0.0004339500000000, 0.0005498900000000, 0.0004528500000000 ] - [ -0.0005950300000000, 0.0004528500000000, 0.0006053000000000 ] - [ -0.0011745800000000, -0.0011755800000000, 0.0032398000000000 ] - [ 0.0004299800000000, -0.0006833900000000, 0.0003774100000000 ] - [ 0.0000634500000000, -0.0010116100000000, -0.0014933600000000 ] - [ 0.0006220500000000, -0.0005047100000000, -0.0006984400000000 ] - [ 0.0032843800000000, 0.0062372400000000, 0.0009655600000000 ] - [ -0.0017531600000000, 0.0031159700000000, -0.0000736600000000 ] - [ -0.0001836500000000, 0.0004104400000000, -0.0001154600000000 ] - [ -0.0002410900000000, 0.0003872100000000, -0.0001100900000000 ] - [ -0.0006027200000000, 0.0004640200000000, -0.0009537900000000 ] - [ 0.0001902900000000, 0.0003283500000000, -0.0008624800000000 ] - [ -0.0007671300000000, 0.0002958000000000, 0.0008428100000000 ] - [ 0.0001169200000000, 0.0002955200000000, 0.0004842800000000 ] - [ -0.0150732200000000, -0.0493155500000000, -0.0046678400000000 ] - [ -0.0001227000000000, -0.0006528500000000, 0.0002717800000000 ] - [ 0.0001937300000000, 0.0001928000000000, -0.0000737800000000 ] - [ 0.0002365700000000, 0.0002194300000000, -0.0001075600000000 ] - [ -0.0004751400000000, -0.0013327200000000, -0.0006323400000000 ] - [ -0.0013115300000000, -0.0005929700000000, -0.0005506400000000 ] - [ -0.0006980600000000, 0.0004609300000000, -0.0001815100000000 ] - [ -0.0007136500000000, 0.0004710300000000, -0.0001789800000000 ] - [ -0.0030424500000000, -0.0108285200000000, 0.0037313200000000 ] - [ 0.0002689700000000, -0.0002105600000000, 0.0004029300000000 ] - [ -0.0000315100000000, 0.0000072900000000, 0.0001063200000000 ] - [ -0.0000212700000000, 0.0000209400000000, 0.0001436300000000 ] - [ 0.0061350700000000, -0.0199925400000000, 0.0047049900000000 ] - [ -0.0005256500000000, -0.0000136900000000, -0.0000813000000000 ] - [ 0.0000356500000000, 0.0000597200000000, -0.0000928700000000 ] - [ 0.0000179800000000, 0.0000518200000000, -0.0000812600000000 ] - [ 0.0004061900000000, -0.0000602900000000, 0.0006194100000000 ] - [ 0.0000178400000000, -0.0000672800000000, 0.0007334200000000 ] - [ 0.0003673000000000, 0.0001362000000000, 0.0000478500000000 ] - [ -0.0001720300000000, -0.0001046900000000, -0.0002364900000000 ] - [ 0.0010499000000000, -0.0012490300000000, -0.0080706000000000 ] - [ -0.0001767700000000, 0.0005150200000000, -0.0000361000000000 ] - [ -0.0000076300000000, 0.0003103400000000, 0.0004390700000000 ] - [ -0.0000682600000000, 0.0002170800000000, 0.0003618100000000 ] - [ 0.0000057800000000, -0.0000010700000000, 0.0000152000000000 ] - [ -0.0000593200000000, 0.0000443300000000, -0.0000759800000000 ] - [ 0.0004663600000000, -0.0008943800000000, -0.0010131400000000 ] - [ -0.0002309400000000, -0.0002045300000000, -0.0005026100000000 ] - [ -0.0000668600000000, -0.0002789800000000, 0.0003056900000000 ] - [ -0.0010471600000000, -0.0004122000000000, 0.0002980300000000 ] - [ -0.0005124100000000, 0.0001727400000000, -0.0002526100000000 ] - [ -0.0005869700000000, 0.0001641200000000, -0.0003036500000000 ] - [ 0.0269247800000000, 0.1147960300000000, 0.0123203700000000 ] - [ 0.0000042500000000, 0.0012248800000000, 0.0002837100000000 ] - [ 0.0001473600000000, 0.0004135100000000, 0.0004141700000000 ] - [ 0.0001262600000000, 0.0003852700000000, 0.0004191200000000 ] - [ -0.0118853500000000, -0.0068414500000000, 0.0123273300000000 ] - [ 0.0008589300000000, 0.0000770100000000, 0.0002064500000000 ] - [ 0.0005586400000000, -0.0002045300000000, 0.0001801400000000 ] - [ 0.0005477800000000, -0.0002174500000000, 0.0002252900000000 ] - [ -0.0002357600000000, -0.0018447400000000, -0.0011813400000000 ] - [ 0.0003782300000000, -0.0007055700000000, -0.0006335500000000 ] - [ 0.0000078400000000, -0.0002253600000000, -0.0001361000000000 ] - [ 0.0000163500000000, -0.0002062600000000, -0.0001629300000000 ] - [ 0.0001909000000000, -0.0006007200000000, -0.0007558300000000 ] - [ -0.0003079100000000, -0.0001226400000000, -0.0004238900000000 ] - [ -0.0000050900000000, -0.0002867900000000, 0.0000886300000000 ] - [ -0.0002469200000000, -0.0001927500000000, -0.0000603000000000 ] - [ -0.0000636000000000, 0.0008133200000000, 0.0001577000000000 ] - [ -0.0000017200000000, 0.0000060800000000, 0.0005126500000000 ] - [ 0.0003257300000000, 0.0008156800000000, 0.0003647900000000 ] - [ -0.0000157300000000, 0.0000064000000000, 0.0004490900000000 ] - [ 0.0006894200000000, 0.0002413300000000, 0.0001048000000000 ] - [ 0.0014809300000000, 0.0002822600000000, 0.0000354000000000 ] - [ 0.0006591600000000, -0.0003593100000000, 0.0005055200000000 ] - [ 0.0008750300000000, -0.0002677600000000, 0.0005260700000000 ] - [ 0.0020860900000000, 0.0019730600000000, -0.0006589600000000 ] - [ -0.0048757400000000, 0.0016454100000000, -0.0021737500000000 ] - [ 0.0006680300000000, 0.0005854900000000, 0.0002302000000000 ] - [ 0.0006907700000000, 0.0005745900000000, 0.0002374000000000 ] - [ 0.0006487300000000, 0.0004114900000000, 0.0000096500000000 ] - [ 0.0005009300000000, 0.0003397300000000, 0.0001636400000000 ] - [ 0.0013174300000000, 0.0006616800000000, 0.0018580100000000 ] - [ -0.0003805900000000, 0.0002065200000000, 0.0006918300000000 ] - [ 0.0000823200000000, -0.0027721200000000, -0.0007955200000000 ] - [ -0.0000848800000000, -0.0005088700000000, -0.0004438100000000 ] - [ -0.0001189100000000, 0.0002403700000000, -0.0003524500000000 ] - [ -0.0001163700000000, 0.0002601700000000, -0.0003469500000000 ] - [ -0.0033199700000000, -0.0015566700000000, 0.0001235600000000 ] - [ 0.0037448100000000, -0.0014665600000000, 0.0004978200000000 ] - [ 0.0001713000000000, 0.0000686600000000, 0.0002777400000000 ] - [ 0.0002003100000000, 0.0000705300000000, 0.0002787300000000 ] - [ -0.0019072700000000, -0.0027468000000000, -0.0007208200000000 ] - [ 0.0002491700000000, -0.0002378400000000, -0.0003662800000000 ] - [ -0.0001730900000000, 0.0000538000000000, -0.0002025200000000 ] - [ -0.0001764600000000, 0.0000590600000000, -0.0001963800000000 ] - [ -0.0006346300000000, -0.0008125200000000, 0.0000625100000000 ] - [ -0.0005870600000000, -0.0007164100000000, -0.0000086800000000 ] - [ -0.0006126900000000, -0.0012207700000000, -0.0003039500000000 ] - [ -0.0004925900000000, -0.0008135900000000, -0.0002329400000000 ] - [ 0.0003796400000000, -0.0003536200000000, 0.0009866000000000 ] - [ -0.0001661800000000, -0.0001610100000000, 0.0002626000000000 ] - [ 0.0001068600000000, -0.0001452400000000, -0.0002943200000000 ] - [ -0.0001246700000000, -0.0000624200000000, -0.0000096800000000 ] - [ -0.0001166200000000, -0.0009812200000000, -0.0003107900000000 ] - [ -0.0002306100000000, -0.0007052300000000, -0.0003188700000000 ] - [ -0.0002293500000000, -0.0008357900000000, -0.0003744700000000 ] - [ -0.0002008900000000, -0.0005910900000000, -0.0003708600000000 ] - [ -0.0015345900000000, -0.0013950900000000, 0.0004751400000000 ] - [ -0.0002204900000000, -0.0009135700000000, 0.0001235100000000 ] - [ -0.0005971900000000, -0.0003326500000000, -0.0002091900000000 ] - [ -0.0005343600000000, -0.0003183800000000, -0.0002123900000000 ] - [ -0.0008961400000000, -0.0092660800000000, -0.0189824700000000 ] - [ -0.0000795100000000, 0.0000901100000000, -0.0000554600000000 ] - [ 0.0000117100000000, -0.0000601600000000, 0.0003388100000000 ] - [ -0.0000113100000000, -0.0001040700000000, 0.0003406900000000 ] - [ -0.0002070500000000, -0.0002027700000000, -0.0009397000000000 ] - [ 0.0000572300000000, -0.0000118000000000, -0.0002097800000000 ] - [ 0.0002080800000000, -0.0002437000000000, 0.0007471000000000 ] - [ -0.0000385200000000, 0.0000039200000000, -0.0000040000000000 ]- atom: 77 displacement: [ -0.0002094772357658, 0.0000000000000000, 0.0099978057236424 ] forces: - [ -0.0021555200000000, -0.0001890900000000, 0.0029090800000000 ] - [ 0.0019696600000000, -0.0007079200000000, 0.0007750700000000 ] - [ -0.0001122100000000, -0.0009155600000000, -0.0018189600000000 ] - [ -0.0006185600000000, -0.0007974000000000, -0.0012354200000000 ] - [ -0.0019352300000000, 0.0010961500000000, 0.0100112100000000 ] - [ -0.0018815200000000, 0.0012167800000000, 0.0009232200000000 ] - [ -0.0006180500000000, 0.0006103100000000, -0.0018355300000000 ] - [ -0.0002084400000000, 0.0006612800000000, -0.0012133800000000 ] - [ 0.0003851600000000, -0.0007935700000000, -0.0011877400000000 ] - [ 0.0002428900000000, -0.0006065100000000, -0.0008385200000000 ] - [ 0.0000777300000000, -0.0000222200000000, 0.0006494300000000 ] - [ 0.0006080200000000, -0.0003702100000000, 0.0006744500000000 ] - [ 0.0004109100000000, 0.0018788600000000, 0.0015079200000000 ] - [ 0.0003231400000000, 0.0009635000000000, 0.0011733000000000 ] - [ 0.0002873900000000, 0.0004471200000000, -0.0012445500000000 ] - [ 0.0003645300000000, 0.0005075100000000, -0.0009769700000000 ] - [ 0.0001487300000000, 0.0002454400000000, 0.0049781800000000 ] - [ 0.0005049400000000, -0.0004066000000000, 0.0000983500000000 ] - [ 0.0004890200000000, -0.0002963200000000, -0.0014275100000000 ] - [ 0.0005006200000000, -0.0003149100000000, -0.0012832900000000 ] - [ 0.0007296300000000, 0.0007055000000000, -0.0015971200000000 ] - [ 0.0001723100000000, 0.0004477200000000, -0.0011441000000000 ] - [ -0.0001937000000000, -0.0004456300000000, -0.0029085500000000 ] - [ 0.0007381300000000, 0.0001696700000000, -0.0007882600000000 ] - [ -0.0001482600000000, -0.0009907500000000, 0.0023368400000000 ] - [ -0.0007575000000000, -0.0007462600000000, 0.0015652600000000 ] - [ -0.0005327200000000, -0.0003377700000000, 0.0001780100000000 ] - [ -0.0005091700000000, -0.0003451400000000, 0.0002833300000000 ] - [ -0.0009979300000000, -0.0003591900000000, 0.0007235200000000 ] - [ -0.0001463100000000, 0.0000725600000000, 0.0009150000000000 ] - [ -0.0003348100000000, 0.0006292700000000, 0.0001635900000000 ] - [ -0.0006849200000000, 0.0005126000000000, 0.0003846200000000 ] - [ 0.0021226300000000, -0.0013683700000000, -0.0041894500000000 ] - [ -0.0008676900000000, -0.0009729000000000, -0.0005149000000000 ] - [ -0.0004991400000000, 0.0007272400000000, -0.0026285500000000 ] - [ 0.0009310000000000, 0.0000201900000000, -0.0013011800000000 ] - [ 0.0003944400000000, 0.0007974400000000, 0.0032330600000000 ] - [ 0.0000623900000000, 0.0003277500000000, 0.0019589300000000 ] - [ -0.0002606500000000, 0.0002238400000000, -0.0014391800000000 ] - [ -0.0002620400000000, 0.0002421400000000, -0.0013064300000000 ] - [ -0.0007453400000000, 0.0011020500000000, -0.0007065800000000 ] - [ 0.0002851800000000, 0.0002680100000000, -0.0005844400000000 ] - [ 0.0004299700000000, -0.0009907100000000, -0.0010606000000000 ] - [ -0.0008567200000000, -0.0008173800000000, -0.0005727500000000 ] - [ 0.0022933300000000, 0.0043333000000000, 0.0231592600000000 ] - [ 0.0010131300000000, -0.0003083100000000, 0.0033393300000000 ] - [ 0.0002400100000000, 0.0003770000000000, -0.0016355200000000 ] - [ 0.0001149300000000, 0.0003721000000000, -0.0013828600000000 ] - [ -0.0009630600000000, 0.0004789100000000, -0.0010579600000000 ] - [ -0.0007790900000000, 0.0003739200000000, -0.0008689700000000 ] - [ -0.0005681900000000, 0.0006206500000000, 0.0002596100000000 ] - [ -0.0006057200000000, 0.0006064700000000, 0.0002265300000000 ] - [ -0.0008082500000000, -0.0032138400000000, -0.0016736300000000 ] - [ -0.0001776000000000, -0.0001039000000000, -0.0005888200000000 ] - [ 0.0000302700000000, 0.0000880600000000, 0.0007037800000000 ] - [ 0.0000172200000000, 0.0000606900000000, 0.0005741900000000 ] - [ 0.0008607600000000, -0.0040582100000000, -0.0043252900000000 ] - [ -0.0000135700000000, -0.0000017800000000, -0.0011601700000000 ] - [ 0.0000833000000000, 0.0000654700000000, 0.0004994300000000 ] - [ 0.0000787000000000, 0.0000583500000000, 0.0003785500000000 ] - [ 0.0009002500000000, -0.0010793800000000, 0.0015179900000000 ] - [ -0.0001548400000000, -0.0003774400000000, 0.0006534700000000 ] - [ -0.0001097300000000, 0.0002945300000000, 0.0006923900000000 ] - [ 0.0007698100000000, 0.0002666200000000, 0.0007823700000000 ] - [ -0.0015278500000000, 0.0059472200000000, 0.0093581300000000 ] - [ 0.0001153100000000, 0.0003772100000000, -0.0002205300000000 ] - [ -0.0000221200000000, 0.0000081500000000, 0.0011807800000000 ] - [ -0.0001125900000000, 0.0001166800000000, 0.0007609900000000 ] - [ -0.0000314700000000, -0.0000417100000000, 0.0003926300000000 ] - [ -0.0000932000000000, 0.0000666300000000, 0.0001751900000000 ] - [ -0.0005840800000000, 0.0010465300000000, -0.0000782700000000 ] - [ 0.0001905800000000, 0.0003289000000000, -0.0004497100000000 ] - [ -0.0001636200000000, -0.0002123900000000, -0.0005419200000000 ] - [ -0.0008968000000000, -0.0002990100000000, -0.0002315700000000 ] - [ -0.0007558900000000, 0.0004018000000000, 0.0002962700000000 ] - [ -0.0005436700000000, 0.0003728600000000, 0.0002602200000000 ] - [ 0.0089651700000000, -0.0107781600000000, -0.0636117500000000 ] - [ 0.0001063500000000, 0.0004207500000000, -0.0007287000000000 ] - [ 0.0001075700000000, 0.0002937900000000, 0.0010696600000000 ] - [ 0.0001272700000000, 0.0002886100000000, 0.0009260600000000 ] - [ -0.0118587900000000, -0.0125070000000000, 0.0064801500000000 ] - [ 0.0017019800000000, -0.0006340400000000, -0.0014291900000000 ] - [ 0.0005189000000000, -0.0001963600000000, 0.0008817400000000 ] - [ 0.0004056700000000, -0.0001973700000000, 0.0008028500000000 ] - [ 0.0004118900000000, 0.0002790800000000, -0.0015126500000000 ] - [ -0.0000374600000000, -0.0001109000000000, -0.0008926900000000 ] - [ -0.0000771800000000, -0.0001889500000000, 0.0004178900000000 ] - [ -0.0000149000000000, -0.0001743400000000, 0.0002885100000000 ] - [ -0.0006838700000000, 0.0007329400000000, 0.0002946300000000 ] - [ 0.0000536500000000, 0.0002653700000000, -0.0001416900000000 ] - [ 0.0000923500000000, -0.0005054500000000, 0.0002196100000000 ] - [ -0.0002944600000000, -0.0003208700000000, 0.0000067400000000 ] - [ -0.0001377600000000, -0.0003494700000000, 0.0019919500000000 ] - [ 0.0002318000000000, -0.0002570800000000, 0.0006746100000000 ] - [ 0.0003533300000000, -0.0005454600000000, 0.0019964300000000 ] - [ -0.0000267700000000, -0.0001935200000000, 0.0006709500000000 ] - [ 0.0020864200000000, 0.0005808900000000, 0.0010455600000000 ] - [ -0.0003368100000000, -0.0004354600000000, 0.0006608900000000 ] - [ 0.0004653100000000, -0.0005387800000000, 0.0008236500000000 ] - [ 0.0011773000000000, -0.0004462300000000, 0.0009240600000000 ] - [ -0.0017328800000000, 0.0019723500000000, -0.0018595800000000 ] - [ 0.0051394300000000, 0.0025779000000000, -0.0015706900000000 ] - [ 0.0008757900000000, 0.0003682600000000, 0.0007580500000000 ] - [ 0.0007719300000000, 0.0004048600000000, 0.0007125100000000 ] - [ 0.0002254200000000, 0.0003550700000000, 0.0010341100000000 ] - [ 0.0006775600000000, 0.0003485900000000, 0.0007502800000000 ] - [ 0.0017763200000000, -0.0008261400000000, 0.0019055300000000 ] - [ -0.0013628000000000, -0.0003441700000000, 0.0007331900000000 ] - [ -0.0001256800000000, -0.0000875000000000, -0.0014339600000000 ] - [ -0.0001096000000000, 0.0002645000000000, -0.0010235400000000 ] - [ -0.0001336600000000, 0.0003558500000000, 0.0001656600000000 ] - [ -0.0001371400000000, 0.0003613500000000, 0.0000783200000000 ] - [ 0.0001584900000000, 0.0001409800000000, -0.0018249100000000 ] - [ -0.0002149800000000, 0.0001523900000000, -0.0013908200000000 ] - [ 0.0002620300000000, 0.0000970900000000, 0.0007636900000000 ] - [ 0.0002532200000000, 0.0000782600000000, 0.0007265400000000 ] - [ -0.0000943000000000, 0.0005737300000000, -0.0023973200000000 ] - [ -0.0003797500000000, 0.0002941600000000, -0.0010559200000000 ] - [ -0.0001318300000000, 0.0000323600000000, 0.0002346600000000 ] - [ -0.0001031900000000, 0.0000361400000000, 0.0001956500000000 ] - [ -0.0007686400000000, -0.0006755000000000, 0.0000649800000000 ] - [ -0.0004479500000000, -0.0008338800000000, 0.0000446700000000 ] - [ -0.0003830300000000, -0.0002604400000000, 0.0000128300000000 ] - [ -0.0009637400000000, -0.0003518800000000, -0.0001705700000000 ] - [ 0.0000338100000000, -0.0012121700000000, 0.0006533400000000 ] - [ -0.0001158900000000, -0.0002750100000000, 0.0000821100000000 ] - [ -0.0001349600000000, 0.0003045500000000, 0.0008050300000000 ] - [ 0.0000842400000000, 0.0000926200000000, 0.0004043100000000 ] - [ -0.0000701400000000, -0.0003945000000000, -0.0002845500000000 ] - [ -0.0002795600000000, -0.0003901900000000, -0.0003406000000000 ] - [ -0.0001719900000000, -0.0003362800000000, -0.0000331100000000 ] - [ -0.0000301000000000, -0.0003384000000000, -0.0002104200000000 ] - [ -0.0008349700000000, -0.0006225400000000, -0.0008665600000000 ] - [ -0.0002763200000000, -0.0003861200000000, -0.0009493100000000 ] - [ -0.0005576600000000, -0.0002422700000000, 0.0003296000000000 ] - [ -0.0006927700000000, -0.0002587500000000, 0.0003294600000000 ] - [ 0.0015695700000000, 0.0177280400000000, 0.0163690900000000 ] - [ -0.0000397500000000, 0.0000626900000000, -0.0002971300000000 ] - [ -0.0001209000000000, -0.0002552700000000, 0.0010786800000000 ] - [ -0.0000141900000000, -0.0001868700000000, 0.0008130300000000 ] - [ 0.0003526100000000, 0.0004791700000000, 0.0010943600000000 ] - [ -0.0000141200000000, 0.0000721700000000, 0.0001315700000000 ] - [ 0.0003496700000000, -0.0011215700000000, 0.0008900000000000 ] - [ -0.0000727900000000, -0.0002802600000000, 0.0000542000000000 ]- atom: 77 displacement: [ 0.0002094772357658, 0.0000000000000000, -0.0099978057236424 ] forces: - [ 0.0016569000000000, -0.0011416100000000, -0.0025700600000000 ] - [ -0.0026975400000000, -0.0005172700000000, -0.0007487400000000 ] - [ -0.0006010100000000, -0.0003099300000000, 0.0018312500000000 ] - [ -0.0000941700000000, -0.0004296500000000, 0.0012429900000000 ] - [ 0.0016067500000000, 0.0002993100000000, -0.0105253800000000 ] - [ 0.0011531500000000, 0.0000256600000000, -0.0009373700000000 ] - [ -0.0000951400000000, 0.0006174700000000, 0.0018408500000000 ] - [ -0.0005043100000000, 0.0005674700000000, 0.0012237500000000 ] - [ 0.0003291900000000, -0.0004374200000000, 0.0011805600000000 ] - [ 0.0004684300000000, -0.0006228000000000, 0.0008318600000000 ] - [ 0.0006383600000000, -0.0012095400000000, -0.0006696500000000 ] - [ 0.0001006300000000, -0.0008613600000000, -0.0006887600000000 ] - [ 0.0003013500000000, -0.0006653800000000, -0.0014986100000000 ] - [ 0.0003871900000000, 0.0002642700000000, -0.0011757400000000 ] - [ 0.0004264600000000, 0.0007811600000000, 0.0012354900000000 ] - [ 0.0003472400000000, 0.0007204600000000, 0.0009674300000000 ] - [ 0.0008654700000000, -0.0008626500000000, -0.0064870900000000 ] - [ 0.0005157300000000, -0.0002881100000000, -0.0016099600000000 ] - [ 0.0005346300000000, -0.0003988300000000, -0.0000853900000000 ] - [ 0.0005216900000000, -0.0003800700000000, -0.0002300400000000 ] - [ 0.0002969800000000, -0.0000084700000000, 0.0000847800000000 ] - [ 0.0008470000000000, 0.0002478200000000, -0.0003697900000000 ] - [ 0.0012211400000000, 0.0011418400000000, 0.0013929500000000 ] - [ 0.0002829400000000, 0.0005261100000000, -0.0007289500000000 ] - [ -0.0008682000000000, 0.0002904600000000, -0.0008353700000000 ] - [ -0.0002724200000000, 0.0000442300000000, -0.0000524200000000 ] - [ -0.0004905700000000, -0.0003563800000000, 0.0013369000000000 ] - [ -0.0005142300000000, -0.0003491200000000, 0.0012321800000000 ] - [ -0.0000270000000000, 0.0010484400000000, 0.0007936800000000 ] - [ -0.0008755500000000, 0.0006213100000000, 0.0006029900000000 ] - [ -0.0006890500000000, 0.0000627600000000, 0.0013524200000000 ] - [ -0.0003375800000000, 0.0001812600000000, 0.0011290000000000 ] - [ -0.0016752200000000, 0.0007665300000000, 0.0042268200000000 ] - [ 0.0012859100000000, 0.0003673900000000, 0.0005685100000000 ] - [ 0.0009379900000000, -0.0013323300000000, 0.0026847400000000 ] - [ -0.0005131800000000, -0.0006238400000000, 0.0013585900000000 ] - [ -0.0008144300000000, -0.0001973800000000, -0.0032827400000000 ] - [ -0.0005001500000000, 0.0002871800000000, -0.0020117800000000 ] - [ -0.0001684700000000, 0.0003765600000000, 0.0013889300000000 ] - [ -0.0001663600000000, 0.0003586800000000, 0.0012561300000000 ] - [ 0.0003192700000000, -0.0016919100000000, 0.0006623100000000 ] - [ -0.0007155000000000, -0.0008707300000000, 0.0005422100000000 ] - [ -0.0008597500000000, 0.0003920800000000, 0.0010062400000000 ] - [ 0.0004289000000000, 0.0002152200000000, 0.0005153800000000 ] - [ -0.0018605400000000, -0.0037763600000000, -0.0230590900000000 ] - [ -0.0005877100000000, 0.0009111300000000, -0.0032817300000000 ] - [ 0.0001901400000000, 0.0002258400000000, 0.0016867100000000 ] - [ 0.0003120300000000, 0.0002304900000000, 0.0014339100000000 ] - [ -0.0004243800000000, 0.0005566900000000, 0.0006516200000000 ] - [ -0.0006079900000000, 0.0006640400000000, 0.0004636400000000 ] - [ -0.0008196200000000, 0.0004170400000000, -0.0006646400000000 ] - [ -0.0007811700000000, 0.0004314900000000, -0.0006313400000000 ] - [ 0.0007472500000000, 0.0032773300000000, 0.0019187500000000 ] - [ 0.0001316600000000, 0.0001738400000000, 0.0008184500000000 ] - [ -0.0000821500000000, -0.0000157700000000, -0.0004772200000000 ] - [ -0.0000686100000000, 0.0000112700000000, -0.0003479700000000 ] - [ -0.0008428100000000, 0.0042348700000000, 0.0040548100000000 ] - [ 0.0000708200000000, 0.0000741100000000, 0.0009319300000000 ] - [ -0.0000322700000000, 0.0000056300000000, -0.0007246300000000 ] - [ -0.0000269000000000, 0.0000130000000000, -0.0006034000000000 ] - [ -0.0005325300000000, 0.0009383300000000, -0.0010181900000000 ] - [ 0.0005163900000000, 0.0002490400000000, -0.0001704200000000 ] - [ 0.0004729300000000, -0.0004259900000000, -0.0002050400000000 ] - [ -0.0004090700000000, -0.0003952700000000, -0.0002924500000000 ] - [ 0.0014881200000000, -0.0055099400000000, -0.0087192800000000 ] - [ -0.0001266700000000, -0.0000681900000000, 0.0006899600000000 ] - [ 0.0000059600000000, 0.0003014800000000, -0.0007087500000000 ] - [ 0.0000988300000000, 0.0001924000000000, -0.0002869500000000 ] - [ 0.0000456300000000, 0.0003493100000000, -0.0008653200000000 ] - [ 0.0001089700000000, 0.0002426100000000, -0.0006491400000000 ] - [ 0.0006008200000000, -0.0007402700000000, -0.0003902800000000 ] - [ -0.0001746000000000, -0.0000182500000000, -0.0000181700000000 ] - [ -0.0009544500000000, 0.0007406700000000, 0.0001305700000000 ] - [ -0.0002175800000000, 0.0008304400000000, -0.0001771100000000 ] - [ -0.0003605500000000, 0.0001283400000000, -0.0006999000000000 ] - [ -0.0005736800000000, 0.0001579400000000, -0.0006625500000000 ] - [ -0.0091310000000000, 0.0116091400000000, 0.0645099400000000 ] - [ 0.0001515300000000, 0.0002276400000000, 0.0014953600000000 ] - [ 0.0001444400000000, 0.0003543300000000, -0.0003022300000000 ] - [ 0.0001259600000000, 0.0003597500000000, -0.0001582000000000 ] - [ 0.0128372800000000, 0.0118329900000000, -0.0060745700000000 ] - [ -0.0005761000000000, 0.0000997200000000, 0.0018247200000000 ] - [ 0.0005972400000000, -0.0003348400000000, -0.0004765700000000 ] - [ 0.0007121200000000, -0.0003339100000000, -0.0003976000000000 ] - [ -0.0003973900000000, -0.0005843900000000, 0.0010345300000000 ] - [ 0.0000554400000000, -0.0001999200000000, 0.0004156000000000 ] - [ 0.0000921700000000, -0.0001193400000000, -0.0008905700000000 ] - [ 0.0000300200000000, -0.0001343100000000, -0.0007605600000000 ] - [ 0.0003165100000000, -0.0008552000000000, -0.0007791800000000 ] - [ -0.0004140100000000, -0.0003908300000000, -0.0003444500000000 ] - [ -0.0004564500000000, 0.0003803000000000, -0.0007050100000000 ] - [ -0.0000661700000000, 0.0001958600000000, -0.0004927300000000 ] - [ 0.0003847400000000, -0.0003004600000000, -0.0012180000000000 ] - [ 0.0000239500000000, -0.0003927000000000, 0.0000912000000000 ] - [ -0.0001059600000000, -0.0001055000000000, -0.0012337800000000 ] - [ 0.0002827500000000, -0.0004575500000000, 0.0000985500000000 ] - [ -0.0006904200000000, -0.0016096200000000, -0.0006357700000000 ] - [ 0.0017170000000000, -0.0006059300000000, -0.0002587800000000 ] - [ 0.0009242600000000, -0.0004986200000000, -0.0004211200000000 ] - [ 0.0002081600000000, -0.0005914100000000, -0.0005182400000000 ] - [ 0.0031131000000000, -0.0009413400000000, 0.0022822100000000 ] - [ -0.0037093400000000, -0.0015259000000000, 0.0020220600000000 ] - [ 0.0005123300000000, 0.0006688200000000, -0.0003510000000000 ] - [ 0.0006149500000000, 0.0006323200000000, -0.0003068700000000 ] - [ 0.0008888600000000, 0.0001754600000000, -0.0006273300000000 ] - [ 0.0004413200000000, 0.0001824900000000, -0.0003443500000000 ] - [ -0.0006751600000000, 0.0013637700000000, -0.0015097100000000 ] - [ 0.0025073300000000, 0.0008810400000000, -0.0003322300000000 ] - [ -0.0001296800000000, 0.0007429000000000, 0.0006696600000000 ] - [ -0.0001407600000000, 0.0003853500000000, 0.0002575100000000 ] - [ -0.0001188600000000, 0.0002931400000000, -0.0009322400000000 ] - [ -0.0001152000000000, 0.0002878100000000, -0.0008450600000000 ] - [ 0.0001975800000000, -0.0000171700000000, 0.0023152900000000 ] - [ 0.0005971300000000, -0.0000461800000000, 0.0018778700000000 ] - [ 0.0001000700000000, 0.0000311600000000, -0.0002769600000000 ] - [ 0.0001083400000000, 0.0000497700000000, -0.0002398700000000 ] - [ -0.0002624600000000, -0.0004293100000000, 0.0019170400000000 ] - [ 0.0000160700000000, -0.0001657700000000, 0.0005701900000000 ] - [ -0.0002305700000000, 0.0000954100000000, -0.0007198700000000 ] - [ -0.0002583900000000, 0.0000913000000000, -0.0006810100000000 ] - [ -0.0006204000000000, -0.0003614400000000, -0.0004728800000000 ] - [ -0.0009384300000000, -0.0002057500000000, -0.0004510100000000 ] - [ -0.0010055100000000, -0.0007778200000000, -0.0004158500000000 ] - [ -0.0004222200000000, -0.0006863300000000, -0.0002325100000000 ] - [ -0.0000911900000000, 0.0011329000000000, -0.0004309700000000 ] - [ 0.0000666500000000, 0.0002028700000000, 0.0001415100000000 ] - [ 0.0000835500000000, -0.0003780200000000, -0.0005784100000000 ] - [ -0.0001347900000000, -0.0001649400000000, -0.0001760900000000 ] - [ -0.0001832000000000, -0.0002528900000000, -0.0004849000000000 ] - [ 0.0000275500000000, -0.0002573500000000, -0.0004285300000000 ] - [ -0.0000810500000000, -0.0003112500000000, -0.0007320600000000 ] - [ -0.0002223900000000, -0.0003096100000000, -0.0005536800000000 ] - [ -0.0002841600000000, 0.0000951900000000, 0.0004676200000000 ] - [ -0.0008408400000000, -0.0001457200000000, 0.0005503700000000 ] - [ -0.0005586700000000, -0.0002873900000000, -0.0007342100000000 ] - [ -0.0004244400000000, -0.0002711000000000, -0.0007339100000000 ] - [ -0.0016162900000000, -0.0184063600000000, -0.0161522600000000 ] - [ 0.0000279200000000, -0.0003719100000000, 0.0007750400000000 ] - [ 0.0001047800000000, -0.0000547100000000, -0.0006044200000000 ] - [ 0.0000000100000000, -0.0001226300000000, -0.0003395700000000 ] - [ -0.0002994300000000, -0.0005471200000000, -0.0013132800000000 ] - [ 0.0000667400000000, -0.0001435100000000, -0.0003582300000000 ] - [ -0.0003051500000000, 0.0010590500000000, -0.0011207200000000 ] - [ 0.0001284000000000, 0.0002093600000000, -0.0002768200000000 ]