# Fileset [phonopy_params.yaml.xz](https://mdr.nims.go.jp/filesets/d5b1ce35-953e-4488-b0a0-a9af105d29d9/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 SiO2 / Imma (74) / materials id 600037](https://mdr.nims.go.jp/datasets/a64747f6-d19d-4688-960b-f466a57ad83f) ## 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: "Imma" number: 74 Hall_symbol: "-I 2b 2"primitive_matrix:- [ -0.500000000000000, 0.500000000000000, 0.500000000000000 ]- [ 0.500000000000000, -0.500000000000000, 0.500000000000000 ]- [ 0.500000000000000, 0.500000000000000, -0.500000000000000 ]supercell_matrix:- [ 1, 0, 0 ]- [ 0, 1, 0 ]- [ 0, 0, 1 ]primitive_cell: lattice: - [ -2.636865440000000, 7.031269860000000, 13.027239570000001 ] # a - [ 2.636865440000000, -7.031269860000000, 13.027239570000001 ] # b - [ 2.636865440000000, 7.031269860000000, -13.027239570000001 ] # c points: - symbol: Si # 1 coordinates: [ 0.076091010000000, 0.215978130000000, 0.860112880000000 ] mass: 28.085500 - symbol: Si # 2 coordinates: [ 0.144134750000000, 0.784021870000000, 0.360112880000000 ] mass: 28.085500 - symbol: Si # 3 coordinates: [ 0.923908990000000, 0.784021870000000, 0.139887120000000 ] mass: 28.085500 - symbol: Si # 4 coordinates: [ 0.855865250000000, 0.215978130000000, 0.639887120000000 ] mass: 28.085500 - symbol: Si # 5 coordinates: [ 0.098607860000000, 0.558769630000000, 0.539838230000000 ] mass: 28.085500 - symbol: Si # 6 coordinates: [ 0.481068600000000, 0.441230370000000, 0.039838230000000 ] mass: 28.085500 - symbol: Si # 7 coordinates: [ 0.901392140000000, 0.441230370000000, 0.460161770000000 ] mass: 28.085500 - symbol: Si # 8 coordinates: [ 0.518931400000000, 0.558769630000000, 0.960161770000000 ] mass: 28.085500 - symbol: Si # 9 coordinates: [ 0.052603370000000, 0.106215100000000, 0.946388270000000 ] mass: 28.085500 - symbol: Si # 10 coordinates: [ 0.340173170000000, 0.893784900000000, 0.446388270000000 ] mass: 28.085500 - symbol: Si # 11 coordinates: [ 0.947396630000000, 0.893784900000000, 0.053611730000000 ] mass: 28.085500 - symbol: Si # 12 coordinates: [ 0.659826830000000, 0.106215100000000, 0.553611730000000 ] mass: 28.085500 - symbol: Si # 13 coordinates: [ 0.724240860000000, 0.474240860000000, 0.250000000000000 ] mass: 28.085500 - symbol: Si # 14 coordinates: [ 0.275759140000000, 0.525759140000000, 0.750000000000000 ] mass: 28.085500 - symbol: Si # 15 coordinates: [ 0.794650430000000, 0.044650430000000, 0.750000000000000 ] mass: 28.085500 - symbol: Si # 16 coordinates: [ 0.205349570000000, 0.955349570000000, 0.250000000000000 ] mass: 28.085500 - symbol: O # 17 coordinates: [ 0.946155990000000, 0.196155990000000, 0.750000000000000 ] mass: 15.999400 - symbol: O # 18 coordinates: [ 0.053844010000000, 0.803844010000000, 0.250000000000000 ] mass: 15.999400 - symbol: O # 19 coordinates: [ 0.923046600000000, 0.080360270000000, 0.842686330000000 ] mass: 15.999400 - symbol: O # 20 coordinates: [ 0.262326060000000, 0.919639730000000, 0.342686330000000 ] mass: 15.999400 - symbol: O # 21 coordinates: [ 0.076953400000000, 0.919639730000000, 0.157313670000000 ] mass: 15.999400 - symbol: O # 22 coordinates: [ 0.737673940000000, 0.080360270000000, 0.657313670000000 ] mass: 15.999400 - symbol: O # 23 coordinates: [ 0.759656800000000, 0.259956020000000, 0.000299220000000 ] mass: 15.999400 - symbol: O # 24 coordinates: [ 0.240343200000000, 0.740043980000000, 0.999700780000000 ] mass: 15.999400 - symbol: O # 25 coordinates: [ 0.240343200000000, 0.240642420000000, 0.500299220000000 ] mass: 15.999400 - symbol: O # 26 coordinates: [ 0.759656800000000, 0.759357580000000, 0.499700780000000 ] mass: 15.999400 - symbol: O # 27 coordinates: [ 0.130584520000000, 0.000000000000000, 0.630584520000000 ] mass: 15.999400 - symbol: O # 28 coordinates: [ 0.869415480000000, 0.500000000000000, 0.869415480000000 ] mass: 15.999400 - symbol: O # 29 coordinates: [ 0.869415480000000, 0.000000000000000, 0.369415480000000 ] mass: 15.999400 - symbol: O # 30 coordinates: [ 0.130584520000000, 0.500000000000000, 0.130584520000000 ] mass: 15.999400 - symbol: O # 31 coordinates: [ 0.100468930000000, 0.167836740000000, 0.932632190000000 ] mass: 15.999400 - symbol: O # 32 coordinates: [ 0.264795450000000, 0.832163260000000, 0.432632190000000 ] mass: 15.999400 - symbol: O # 33 coordinates: [ 0.899531070000000, 0.832163260000000, 0.067367810000000 ] mass: 15.999400 - symbol: O # 34 coordinates: [ 0.735204550000000, 0.167836740000000, 0.567367810000000 ] mass: 15.999400 - symbol: O # 35 coordinates: [ 0.000000000000000, 0.500000000000000, 0.500000000000000 ] mass: 15.999400 - symbol: O # 36 coordinates: [ 0.500000000000000, 0.500000000000000, 0.000000000000000 ] mass: 15.999400 - symbol: O # 37 coordinates: [ 0.784061730000000, 0.439202410000000, 0.344859320000000 ] mass: 15.999400 - symbol: O # 38 coordinates: [ 0.405656910000000, 0.560797590000000, 0.844859320000000 ] mass: 15.999400 - symbol: O # 39 coordinates: [ 0.215938270000000, 0.560797590000000, 0.655140680000000 ] mass: 15.999400 - symbol: O # 40 coordinates: [ 0.594343090000000, 0.439202410000000, 0.155140680000000 ] mass: 15.999400 - symbol: O # 41 coordinates: [ 0.092640680000000, 0.338661930000000, 0.253894550000000 ] mass: 15.999400 - symbol: O # 42 coordinates: [ 0.415232620000000, 0.661338070000000, 0.253978750000000 ] mass: 15.999400 - symbol: O # 43 coordinates: [ 0.907359320000000, 0.161253870000000, 0.246021250000000 ] mass: 15.999400 - symbol: O # 44 coordinates: [ 0.584767380000000, 0.838746130000000, 0.246105450000000 ] mass: 15.999400 - symbol: O # 45 coordinates: [ 0.907359320000000, 0.661338070000000, 0.746105450000000 ] mass: 15.999400 - symbol: O # 46 coordinates: [ 0.584767380000000, 0.338661930000000, 0.746021250000000 ] mass: 15.999400 - symbol: O # 47 coordinates: [ 0.092640680000000, 0.838746130000000, 0.753978750000000 ] mass: 15.999400 - symbol: O # 48 coordinates: [ 0.415232620000000, 0.161253870000000, 0.753894550000000 ] mass: 15.999400 reciprocal_lattice: # without 2pi - [ 0.000000000000000, 0.071110910255975, 0.038381116529970 ] # a* - [ 0.189619080448792, 0.000000000000000, 0.038381116529970 ] # b* - [ 0.189619080448792, 0.071110910255975, 0.000000000000000 ] # c*unit_cell: lattice: - [ 5.273730880000000, 0.000000000000000, 0.000000000000000 ] # a - [ 0.000000000000000, 14.062539720000000, 0.000000000000000 ] # b - [ 0.000000000000000, 0.000000000000000, 26.054479140000002 ] # c points: - symbol: Si # 1 coordinates: [ 0.000000000000000, 0.860112880000000, 0.215978130000000 ] mass: 28.085500 reduced_to: 1 - symbol: Si # 2 coordinates: [ 0.000000000000000, 0.360112880000000, 0.784021870000000 ] mass: 28.085500 reduced_to: 2 - symbol: Si # 3 coordinates: [ 0.000000000000000, 0.139887120000000, 0.784021870000000 ] mass: 28.085500 reduced_to: 3 - symbol: Si # 4 coordinates: [ 0.000000000000000, 0.639887120000000, 0.215978130000000 ] mass: 28.085500 reduced_to: 4 - symbol: Si # 5 coordinates: [ 0.500000000000000, 0.039838230000000, 0.058769630000000 ] mass: 28.085500 reduced_to: 5 - symbol: Si # 6 coordinates: [ 0.500000000000000, 0.539838230000000, 0.941230370000000 ] mass: 28.085500 reduced_to: 6 - symbol: Si # 7 coordinates: [ 0.500000000000000, 0.960161770000000, 0.941230370000000 ] mass: 28.085500 reduced_to: 7 - symbol: Si # 8 coordinates: [ 0.500000000000000, 0.460161770000000, 0.058769630000000 ] mass: 28.085500 reduced_to: 8 - symbol: Si # 9 coordinates: [ 0.000000000000000, 0.946388270000000, 0.106215100000000 ] mass: 28.085500 reduced_to: 9 - symbol: Si # 10 coordinates: [ 0.000000000000000, 0.446388270000000, 0.893784900000000 ] mass: 28.085500 reduced_to: 10 - symbol: Si # 11 coordinates: [ 0.000000000000000, 0.053611730000000, 0.893784900000000 ] mass: 28.085500 reduced_to: 11 - symbol: Si # 12 coordinates: [ 0.000000000000000, 0.553611730000000, 0.106215100000000 ] mass: 28.085500 reduced_to: 12 - symbol: Si # 13 coordinates: [ 0.500000000000000, 0.750000000000000, 0.974240860000000 ] mass: 28.085500 reduced_to: 13 - symbol: Si # 14 coordinates: [ 0.500000000000000, 0.250000000000000, 0.025759140000000 ] mass: 28.085500 reduced_to: 14 - symbol: Si # 15 coordinates: [ 0.000000000000000, 0.750000000000000, 0.044650430000000 ] mass: 28.085500 reduced_to: 15 - symbol: Si # 16 coordinates: [ 0.000000000000000, 0.250000000000000, 0.955349570000000 ] mass: 28.085500 reduced_to: 16 - symbol: Si # 17 coordinates: [ 0.500000000000000, 0.360112880000000, 0.715978130000000 ] mass: 28.085500 reduced_to: 1 - symbol: Si # 18 coordinates: [ 0.500000000000000, 0.860112880000000, 0.284021870000000 ] mass: 28.085500 reduced_to: 2 - symbol: Si # 19 coordinates: [ 0.500000000000000, 0.639887120000000, 0.284021870000000 ] mass: 28.085500 reduced_to: 3 - symbol: Si # 20 coordinates: [ 0.500000000000000, 0.139887120000000, 0.715978130000000 ] mass: 28.085500 reduced_to: 4 - symbol: Si # 21 coordinates: [ 0.000000000000000, 0.539838230000000, 0.558769630000000 ] mass: 28.085500 reduced_to: 5 - symbol: Si # 22 coordinates: [ 0.000000000000000, 0.039838230000000, 0.441230370000000 ] mass: 28.085500 reduced_to: 6 - symbol: Si # 23 coordinates: [ 0.000000000000000, 0.460161770000000, 0.441230370000000 ] mass: 28.085500 reduced_to: 7 - symbol: Si # 24 coordinates: [ 0.000000000000000, 0.960161770000000, 0.558769630000000 ] mass: 28.085500 reduced_to: 8 - symbol: Si # 25 coordinates: [ 0.500000000000000, 0.446388270000000, 0.606215100000000 ] mass: 28.085500 reduced_to: 9 - symbol: Si # 26 coordinates: [ 0.500000000000000, 0.946388270000000, 0.393784900000000 ] mass: 28.085500 reduced_to: 10 - symbol: Si # 27 coordinates: [ 0.500000000000000, 0.553611730000000, 0.393784900000000 ] mass: 28.085500 reduced_to: 11 - symbol: Si # 28 coordinates: [ 0.500000000000000, 0.053611730000000, 0.606215100000000 ] mass: 28.085500 reduced_to: 12 - symbol: Si # 29 coordinates: [ 0.000000000000000, 0.250000000000000, 0.474240860000000 ] mass: 28.085500 reduced_to: 13 - symbol: Si # 30 coordinates: [ 0.000000000000000, 0.750000000000000, 0.525759140000000 ] mass: 28.085500 reduced_to: 14 - symbol: Si # 31 coordinates: [ 0.500000000000000, 0.250000000000000, 0.544650430000000 ] mass: 28.085500 reduced_to: 15 - symbol: Si # 32 coordinates: [ 0.500000000000000, 0.750000000000000, 0.455349570000000 ] mass: 28.085500 reduced_to: 16 - symbol: O # 33 coordinates: [ 0.000000000000000, 0.750000000000000, 0.196155990000000 ] mass: 15.999400 reduced_to: 33 - symbol: O # 34 coordinates: [ 0.000000000000000, 0.250000000000000, 0.803844010000000 ] mass: 15.999400 reduced_to: 34 - symbol: O # 35 coordinates: [ 0.000000000000000, 0.842686330000000, 0.080360270000000 ] mass: 15.999400 reduced_to: 35 - symbol: O # 36 coordinates: [ 0.000000000000000, 0.342686330000000, 0.919639730000000 ] mass: 15.999400 reduced_to: 36 - symbol: O # 37 coordinates: [ 0.000000000000000, 0.157313670000000, 0.919639730000000 ] mass: 15.999400 reduced_to: 37 - symbol: O # 38 coordinates: [ 0.000000000000000, 0.657313670000000, 0.080360270000000 ] mass: 15.999400 reduced_to: 38 - symbol: O # 39 coordinates: [ 0.250299220000000, 0.750000000000000, 0.009656800000000 ] mass: 15.999400 reduced_to: 39 - symbol: O # 40 coordinates: [ 0.749700780000000, 0.250000000000000, 0.990343200000000 ] mass: 15.999400 reduced_to: 40 - symbol: O # 41 coordinates: [ 0.250299220000000, 0.250000000000000, 0.990343200000000 ] mass: 15.999400 reduced_to: 41 - symbol: O # 42 coordinates: [ 0.749700780000000, 0.750000000000000, 0.009656800000000 ] mass: 15.999400 reduced_to: 42 - symbol: O # 43 coordinates: [ 0.250000000000000, 0.380584520000000, 0.750000000000000 ] mass: 15.999400 reduced_to: 43 - symbol: O # 44 coordinates: [ 0.750000000000000, 0.119415480000000, 0.750000000000000 ] mass: 15.999400 reduced_to: 44 - symbol: O # 45 coordinates: [ 0.250000000000000, 0.119415480000000, 0.750000000000000 ] mass: 15.999400 reduced_to: 45 - symbol: O # 46 coordinates: [ 0.750000000000000, 0.380584520000000, 0.750000000000000 ] mass: 15.999400 reduced_to: 46 - symbol: O # 47 coordinates: [ 0.000000000000000, 0.932632190000000, 0.167836740000000 ] mass: 15.999400 reduced_to: 47 - symbol: O # 48 coordinates: [ 0.000000000000000, 0.432632190000000, 0.832163260000000 ] mass: 15.999400 reduced_to: 48 - symbol: O # 49 coordinates: [ 0.000000000000000, 0.067367810000000, 0.832163260000000 ] mass: 15.999400 reduced_to: 49 - symbol: O # 50 coordinates: [ 0.000000000000000, 0.567367810000000, 0.167836740000000 ] mass: 15.999400 reduced_to: 50 - symbol: O # 51 coordinates: [ 0.500000000000000, 0.000000000000000, 0.000000000000000 ] mass: 15.999400 reduced_to: 51 - symbol: O # 52 coordinates: [ 0.500000000000000, 0.500000000000000, 0.000000000000000 ] mass: 15.999400 reduced_to: 52 - symbol: O # 53 coordinates: [ 0.500000000000000, 0.844859320000000, 0.939202410000000 ] mass: 15.999400 reduced_to: 53 - symbol: O # 54 coordinates: [ 0.500000000000000, 0.344859320000000, 0.060797590000000 ] mass: 15.999400 reduced_to: 54 - symbol: O # 55 coordinates: [ 0.500000000000000, 0.155140680000000, 0.060797590000000 ] mass: 15.999400 reduced_to: 55 - symbol: O # 56 coordinates: [ 0.500000000000000, 0.655140680000000, 0.939202410000000 ] mass: 15.999400 reduced_to: 56 - symbol: O # 57 coordinates: [ 0.249957900000000, 0.003936650000000, 0.088704030000000 ] mass: 15.999400 reduced_to: 57 - symbol: O # 58 coordinates: [ 0.750042100000000, 0.503936650000000, 0.911295970000000 ] mass: 15.999400 reduced_to: 58 - symbol: O # 59 coordinates: [ 0.249957900000000, 0.996063350000000, 0.911295970000000 ] mass: 15.999400 reduced_to: 59 - symbol: O # 60 coordinates: [ 0.750042100000000, 0.496063350000000, 0.088704030000000 ] mass: 15.999400 reduced_to: 60 - symbol: O # 61 coordinates: [ 0.750042100000000, 0.996063350000000, 0.911295970000000 ] mass: 15.999400 reduced_to: 61 - symbol: O # 62 coordinates: [ 0.249957900000000, 0.496063350000000, 0.088704030000000 ] mass: 15.999400 reduced_to: 62 - symbol: O # 63 coordinates: [ 0.750042100000000, 0.003936650000000, 0.088704030000000 ] mass: 15.999400 reduced_to: 63 - symbol: O # 64 coordinates: [ 0.249957900000000, 0.503936650000000, 0.911295970000000 ] mass: 15.999400 reduced_to: 64 - symbol: O # 65 coordinates: [ 0.500000000000000, 0.250000000000000, 0.696155990000000 ] mass: 15.999400 reduced_to: 33 - symbol: O # 66 coordinates: [ 0.500000000000000, 0.750000000000000, 0.303844010000000 ] mass: 15.999400 reduced_to: 34 - symbol: O # 67 coordinates: [ 0.500000000000000, 0.342686330000000, 0.580360270000000 ] mass: 15.999400 reduced_to: 35 - symbol: O # 68 coordinates: [ 0.500000000000000, 0.842686330000000, 0.419639730000000 ] mass: 15.999400 reduced_to: 36 - symbol: O # 69 coordinates: [ 0.500000000000000, 0.657313670000000, 0.419639730000000 ] mass: 15.999400 reduced_to: 37 - symbol: O # 70 coordinates: [ 0.500000000000000, 0.157313670000000, 0.580360270000000 ] mass: 15.999400 reduced_to: 38 - symbol: O # 71 coordinates: [ 0.750299220000000, 0.250000000000000, 0.509656800000000 ] mass: 15.999400 reduced_to: 39 - symbol: O # 72 coordinates: [ 0.249700780000000, 0.750000000000000, 0.490343200000000 ] mass: 15.999400 reduced_to: 40 - symbol: O # 73 coordinates: [ 0.750299220000000, 0.750000000000000, 0.490343200000000 ] mass: 15.999400 reduced_to: 41 - symbol: O # 74 coordinates: [ 0.249700780000000, 0.250000000000000, 0.509656800000000 ] mass: 15.999400 reduced_to: 42 - symbol: O # 75 coordinates: [ 0.750000000000000, 0.880584520000000, 0.250000000000000 ] mass: 15.999400 reduced_to: 43 - symbol: O # 76 coordinates: [ 0.250000000000000, 0.619415480000000, 0.250000000000000 ] mass: 15.999400 reduced_to: 44 - symbol: O # 77 coordinates: [ 0.750000000000000, 0.619415480000000, 0.250000000000000 ] mass: 15.999400 reduced_to: 45 - symbol: O # 78 coordinates: [ 0.250000000000000, 0.880584520000000, 0.250000000000000 ] mass: 15.999400 reduced_to: 46 - symbol: O # 79 coordinates: [ 0.500000000000000, 0.432632190000000, 0.667836740000000 ] mass: 15.999400 reduced_to: 47 - symbol: O # 80 coordinates: [ 0.500000000000000, 0.932632190000000, 0.332163260000000 ] mass: 15.999400 reduced_to: 48 - symbol: O # 81 coordinates: [ 0.500000000000000, 0.567367810000000, 0.332163260000000 ] mass: 15.999400 reduced_to: 49 - symbol: O # 82 coordinates: [ 0.500000000000000, 0.067367810000000, 0.667836740000000 ] mass: 15.999400 reduced_to: 50 - symbol: O # 83 coordinates: [ 0.000000000000000, 0.500000000000000, 0.500000000000000 ] mass: 15.999400 reduced_to: 51 - symbol: O # 84 coordinates: [ 0.000000000000000, 0.000000000000000, 0.500000000000000 ] mass: 15.999400 reduced_to: 52 - symbol: O # 85 coordinates: [ 0.000000000000000, 0.344859320000000, 0.439202410000000 ] mass: 15.999400 reduced_to: 53 - symbol: O # 86 coordinates: [ 0.000000000000000, 0.844859320000000, 0.560797590000000 ] mass: 15.999400 reduced_to: 54 - symbol: O # 87 coordinates: [ 0.000000000000000, 0.655140680000000, 0.560797590000000 ] mass: 15.999400 reduced_to: 55 - symbol: O # 88 coordinates: [ 0.000000000000000, 0.155140680000000, 0.439202410000000 ] mass: 15.999400 reduced_to: 56 - symbol: O # 89 coordinates: [ 0.749957900000000, 0.503936650000000, 0.588704030000000 ] mass: 15.999400 reduced_to: 57 - symbol: O # 90 coordinates: [ 0.250042100000000, 0.003936650000000, 0.411295970000000 ] mass: 15.999400 reduced_to: 58 - symbol: O # 91 coordinates: [ 0.749957900000000, 0.496063350000000, 0.411295970000000 ] mass: 15.999400 reduced_to: 59 - symbol: O # 92 coordinates: [ 0.250042100000000, 0.996063350000000, 0.588704030000000 ] mass: 15.999400 reduced_to: 60 - symbol: O # 93 coordinates: [ 0.250042100000000, 0.496063350000000, 0.411295970000000 ] mass: 15.999400 reduced_to: 61 - symbol: O # 94 coordinates: [ 0.749957900000000, 0.996063350000000, 0.588704030000000 ] mass: 15.999400 reduced_to: 62 - symbol: O # 95 coordinates: [ 0.250042100000000, 0.503936650000000, 0.588704030000000 ] mass: 15.999400 reduced_to: 63 - symbol: O # 96 coordinates: [ 0.749957900000000, 0.003936650000000, 0.411295970000000 ] mass: 15.999400 reduced_to: 64supercell: lattice: - [ 5.273730880000000, 0.000000000000000, 0.000000000000000 ] # a - [ 0.000000000000000, 14.062539720000000, 0.000000000000000 ] # b - [ 0.000000000000000, 0.000000000000000, 26.054479140000002 ] # c points: - symbol: Si # 1 coordinates: [ 0.000000000000000, 0.860112880000000, 0.215978130000000 ] mass: 28.085500 reduced_to: 1 - symbol: Si # 2 coordinates: [ 0.000000000000000, 0.360112880000000, 0.784021870000000 ] mass: 28.085500 reduced_to: 2 - symbol: Si # 3 coordinates: [ 0.000000000000000, 0.139887120000000, 0.784021870000000 ] mass: 28.085500 reduced_to: 3 - symbol: Si # 4 coordinates: [ 0.000000000000000, 0.639887120000000, 0.215978130000000 ] mass: 28.085500 reduced_to: 4 - symbol: Si # 5 coordinates: [ 0.500000000000000, 0.039838230000000, 0.058769630000000 ] mass: 28.085500 reduced_to: 5 - symbol: Si # 6 coordinates: [ 0.500000000000000, 0.539838230000000, 0.941230370000000 ] mass: 28.085500 reduced_to: 6 - symbol: Si # 7 coordinates: [ 0.500000000000000, 0.960161770000000, 0.941230370000000 ] mass: 28.085500 reduced_to: 7 - symbol: Si # 8 coordinates: [ 0.500000000000000, 0.460161770000000, 0.058769630000000 ] mass: 28.085500 reduced_to: 8 - symbol: Si # 9 coordinates: [ 0.000000000000000, 0.946388270000000, 0.106215100000000 ] mass: 28.085500 reduced_to: 9 - symbol: Si # 10 coordinates: [ 0.000000000000000, 0.446388270000000, 0.893784900000000 ] mass: 28.085500 reduced_to: 10 - symbol: Si # 11 coordinates: [ 0.000000000000000, 0.053611730000000, 0.893784900000000 ] mass: 28.085500 reduced_to: 11 - symbol: Si # 12 coordinates: [ 0.000000000000000, 0.553611730000000, 0.106215100000000 ] mass: 28.085500 reduced_to: 12 - symbol: Si # 13 coordinates: [ 0.500000000000000, 0.750000000000000, 0.974240860000000 ] mass: 28.085500 reduced_to: 13 - symbol: Si # 14 coordinates: [ 0.500000000000000, 0.250000000000000, 0.025759140000000 ] mass: 28.085500 reduced_to: 14 - symbol: Si # 15 coordinates: [ 0.000000000000000, 0.750000000000000, 0.044650430000000 ] mass: 28.085500 reduced_to: 15 - symbol: Si # 16 coordinates: [ 0.000000000000000, 0.250000000000000, 0.955349570000000 ] mass: 28.085500 reduced_to: 16 - symbol: Si # 17 coordinates: [ 0.500000000000000, 0.360112880000000, 0.715978130000000 ] mass: 28.085500 reduced_to: 1 - symbol: Si # 18 coordinates: [ 0.500000000000000, 0.860112880000000, 0.284021870000000 ] mass: 28.085500 reduced_to: 2 - symbol: Si # 19 coordinates: [ 0.500000000000000, 0.639887120000000, 0.284021870000000 ] mass: 28.085500 reduced_to: 3 - symbol: Si # 20 coordinates: [ 0.500000000000000, 0.139887120000000, 0.715978130000000 ] mass: 28.085500 reduced_to: 4 - symbol: Si # 21 coordinates: [ 0.000000000000000, 0.539838230000000, 0.558769630000000 ] mass: 28.085500 reduced_to: 5 - symbol: Si # 22 coordinates: [ 0.000000000000000, 0.039838230000000, 0.441230370000000 ] mass: 28.085500 reduced_to: 6 - symbol: Si # 23 coordinates: [ 0.000000000000000, 0.460161770000000, 0.441230370000000 ] mass: 28.085500 reduced_to: 7 - symbol: Si # 24 coordinates: [ 0.000000000000000, 0.960161770000000, 0.558769630000000 ] mass: 28.085500 reduced_to: 8 - symbol: Si # 25 coordinates: [ 0.500000000000000, 0.446388270000000, 0.606215100000000 ] mass: 28.085500 reduced_to: 9 - symbol: Si # 26 coordinates: [ 0.500000000000000, 0.946388270000000, 0.393784900000000 ] mass: 28.085500 reduced_to: 10 - symbol: Si # 27 coordinates: [ 0.500000000000000, 0.553611730000000, 0.393784900000000 ] mass: 28.085500 reduced_to: 11 - symbol: Si # 28 coordinates: [ 0.500000000000000, 0.053611730000000, 0.606215100000000 ] mass: 28.085500 reduced_to: 12 - symbol: Si # 29 coordinates: [ 0.000000000000000, 0.250000000000000, 0.474240860000000 ] mass: 28.085500 reduced_to: 13 - symbol: Si # 30 coordinates: [ 0.000000000000000, 0.750000000000000, 0.525759140000000 ] mass: 28.085500 reduced_to: 14 - symbol: Si # 31 coordinates: [ 0.500000000000000, 0.250000000000000, 0.544650430000000 ] mass: 28.085500 reduced_to: 15 - symbol: Si # 32 coordinates: [ 0.500000000000000, 0.750000000000000, 0.455349570000000 ] mass: 28.085500 reduced_to: 16 - symbol: O # 33 coordinates: [ 0.000000000000000, 0.750000000000000, 0.196155990000000 ] mass: 15.999400 reduced_to: 33 - symbol: O # 34 coordinates: [ 0.000000000000000, 0.250000000000000, 0.803844010000000 ] mass: 15.999400 reduced_to: 34 - symbol: O # 35 coordinates: [ 0.000000000000000, 0.842686330000000, 0.080360270000000 ] mass: 15.999400 reduced_to: 35 - symbol: O # 36 coordinates: [ 0.000000000000000, 0.342686330000000, 0.919639730000000 ] mass: 15.999400 reduced_to: 36 - symbol: O # 37 coordinates: [ 0.000000000000000, 0.157313670000000, 0.919639730000000 ] mass: 15.999400 reduced_to: 37 - symbol: O # 38 coordinates: [ 0.000000000000000, 0.657313670000000, 0.080360270000000 ] mass: 15.999400 reduced_to: 38 - symbol: O # 39 coordinates: [ 0.250299220000000, 0.750000000000000, 0.009656800000000 ] mass: 15.999400 reduced_to: 39 - symbol: O # 40 coordinates: [ 0.749700780000000, 0.250000000000000, 0.990343200000000 ] mass: 15.999400 reduced_to: 40 - symbol: O # 41 coordinates: [ 0.250299220000000, 0.250000000000000, 0.990343200000000 ] mass: 15.999400 reduced_to: 41 - symbol: O # 42 coordinates: [ 0.749700780000000, 0.750000000000000, 0.009656800000000 ] mass: 15.999400 reduced_to: 42 - symbol: O # 43 coordinates: [ 0.250000000000000, 0.380584520000000, 0.750000000000000 ] mass: 15.999400 reduced_to: 43 - symbol: O # 44 coordinates: [ 0.750000000000000, 0.119415480000000, 0.750000000000000 ] mass: 15.999400 reduced_to: 44 - symbol: O # 45 coordinates: [ 0.250000000000000, 0.119415480000000, 0.750000000000000 ] mass: 15.999400 reduced_to: 45 - symbol: O # 46 coordinates: [ 0.750000000000000, 0.380584520000000, 0.750000000000000 ] mass: 15.999400 reduced_to: 46 - symbol: O # 47 coordinates: [ 0.000000000000000, 0.932632190000000, 0.167836740000000 ] mass: 15.999400 reduced_to: 47 - symbol: O # 48 coordinates: [ 0.000000000000000, 0.432632190000000, 0.832163260000000 ] mass: 15.999400 reduced_to: 48 - symbol: O # 49 coordinates: [ 0.000000000000000, 0.067367810000000, 0.832163260000000 ] mass: 15.999400 reduced_to: 49 - symbol: O # 50 coordinates: [ 0.000000000000000, 0.567367810000000, 0.167836740000000 ] mass: 15.999400 reduced_to: 50 - symbol: O # 51 coordinates: [ 0.500000000000000, 0.000000000000000, 0.000000000000000 ] mass: 15.999400 reduced_to: 51 - symbol: O # 52 coordinates: [ 0.500000000000000, 0.500000000000000, 0.000000000000000 ] mass: 15.999400 reduced_to: 52 - symbol: O # 53 coordinates: [ 0.500000000000000, 0.844859320000000, 0.939202410000000 ] mass: 15.999400 reduced_to: 53 - symbol: O # 54 coordinates: [ 0.500000000000000, 0.344859320000000, 0.060797590000000 ] mass: 15.999400 reduced_to: 54 - symbol: O # 55 coordinates: [ 0.500000000000000, 0.155140680000000, 0.060797590000000 ] mass: 15.999400 reduced_to: 55 - symbol: O # 56 coordinates: [ 0.500000000000000, 0.655140680000000, 0.939202410000000 ] mass: 15.999400 reduced_to: 56 - symbol: O # 57 coordinates: [ 0.249957900000000, 0.003936650000000, 0.088704030000000 ] mass: 15.999400 reduced_to: 57 - symbol: O # 58 coordinates: [ 0.750042100000000, 0.503936650000000, 0.911295970000000 ] mass: 15.999400 reduced_to: 58 - symbol: O # 59 coordinates: [ 0.249957900000000, 0.996063350000000, 0.911295970000000 ] mass: 15.999400 reduced_to: 59 - symbol: O # 60 coordinates: [ 0.750042100000000, 0.496063350000000, 0.088704030000000 ] mass: 15.999400 reduced_to: 60 - symbol: O # 61 coordinates: [ 0.750042100000000, 0.996063350000000, 0.911295970000000 ] mass: 15.999400 reduced_to: 61 - symbol: O # 62 coordinates: [ 0.249957900000000, 0.496063350000000, 0.088704030000000 ] mass: 15.999400 reduced_to: 62 - symbol: O # 63 coordinates: [ 0.750042100000000, 0.003936650000000, 0.088704030000000 ] mass: 15.999400 reduced_to: 63 - symbol: O # 64 coordinates: [ 0.249957900000000, 0.503936650000000, 0.911295970000000 ] mass: 15.999400 reduced_to: 64 - symbol: O # 65 coordinates: [ 0.500000000000000, 0.250000000000000, 0.696155990000000 ] mass: 15.999400 reduced_to: 33 - symbol: O # 66 coordinates: [ 0.500000000000000, 0.750000000000000, 0.303844010000000 ] mass: 15.999400 reduced_to: 34 - symbol: O # 67 coordinates: [ 0.500000000000000, 0.342686330000000, 0.580360270000000 ] mass: 15.999400 reduced_to: 35 - symbol: O # 68 coordinates: [ 0.500000000000000, 0.842686330000000, 0.419639730000000 ] mass: 15.999400 reduced_to: 36 - symbol: O # 69 coordinates: [ 0.500000000000000, 0.657313670000000, 0.419639730000000 ] mass: 15.999400 reduced_to: 37 - symbol: O # 70 coordinates: [ 0.500000000000000, 0.157313670000000, 0.580360270000000 ] mass: 15.999400 reduced_to: 38 - symbol: O # 71 coordinates: [ 0.750299220000000, 0.250000000000000, 0.509656800000000 ] mass: 15.999400 reduced_to: 39 - symbol: O # 72 coordinates: [ 0.249700780000000, 0.750000000000000, 0.490343200000000 ] mass: 15.999400 reduced_to: 40 - symbol: O # 73 coordinates: [ 0.750299220000000, 0.750000000000000, 0.490343200000000 ] mass: 15.999400 reduced_to: 41 - symbol: O # 74 coordinates: [ 0.249700780000000, 0.250000000000000, 0.509656800000000 ] mass: 15.999400 reduced_to: 42 - symbol: O # 75 coordinates: [ 0.750000000000000, 0.880584520000000, 0.250000000000000 ] mass: 15.999400 reduced_to: 43 - symbol: O # 76 coordinates: [ 0.250000000000000, 0.619415480000000, 0.250000000000000 ] mass: 15.999400 reduced_to: 44 - symbol: O # 77 coordinates: [ 0.750000000000000, 0.619415480000000, 0.250000000000000 ] mass: 15.999400 reduced_to: 45 - symbol: O # 78 coordinates: [ 0.250000000000000, 0.880584520000000, 0.250000000000000 ] mass: 15.999400 reduced_to: 46 - symbol: O # 79 coordinates: [ 0.500000000000000, 0.432632190000000, 0.667836740000000 ] mass: 15.999400 reduced_to: 47 - symbol: O # 80 coordinates: [ 0.500000000000000, 0.932632190000000, 0.332163260000000 ] mass: 15.999400 reduced_to: 48 - symbol: O # 81 coordinates: [ 0.500000000000000, 0.567367810000000, 0.332163260000000 ] mass: 15.999400 reduced_to: 49 - symbol: O # 82 coordinates: [ 0.500000000000000, 0.067367810000000, 0.667836740000000 ] mass: 15.999400 reduced_to: 50 - symbol: O # 83 coordinates: [ 0.000000000000000, 0.500000000000000, 0.500000000000000 ] mass: 15.999400 reduced_to: 51 - symbol: O # 84 coordinates: [ 0.000000000000000, 0.000000000000000, 0.500000000000000 ] mass: 15.999400 reduced_to: 52 - symbol: O # 85 coordinates: [ 0.000000000000000, 0.344859320000000, 0.439202410000000 ] mass: 15.999400 reduced_to: 53 - symbol: O # 86 coordinates: [ 0.000000000000000, 0.844859320000000, 0.560797590000000 ] mass: 15.999400 reduced_to: 54 - symbol: O # 87 coordinates: [ 0.000000000000000, 0.655140680000000, 0.560797590000000 ] mass: 15.999400 reduced_to: 55 - symbol: O # 88 coordinates: [ 0.000000000000000, 0.155140680000000, 0.439202410000000 ] mass: 15.999400 reduced_to: 56 - symbol: O # 89 coordinates: [ 0.749957900000000, 0.503936650000000, 0.588704030000000 ] mass: 15.999400 reduced_to: 57 - symbol: O # 90 coordinates: [ 0.250042100000000, 0.003936650000000, 0.411295970000000 ] mass: 15.999400 reduced_to: 58 - symbol: O # 91 coordinates: [ 0.749957900000000, 0.496063350000000, 0.411295970000000 ] mass: 15.999400 reduced_to: 59 - symbol: O # 92 coordinates: [ 0.250042100000000, 0.996063350000000, 0.588704030000000 ] mass: 15.999400 reduced_to: 60 - symbol: O # 93 coordinates: [ 0.250042100000000, 0.496063350000000, 0.411295970000000 ] mass: 15.999400 reduced_to: 61 - symbol: O # 94 coordinates: [ 0.749957900000000, 0.996063350000000, 0.588704030000000 ] mass: 15.999400 reduced_to: 62 - symbol: O # 95 coordinates: [ 0.250042100000000, 0.503936650000000, 0.588704030000000 ] mass: 15.999400 reduced_to: 63 - symbol: O # 96 coordinates: [ 0.749957900000000, 0.003936650000000, 0.411295970000000 ] mass: 15.999400 reduced_to: 64displacements:- atom: 1 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.4553891300000000, -0.0025761200000000, -0.0088482200000000 ] - [ 0.0000000900000000, 0.0000051000000000, 0.0001402800000000 ] - [ -0.0000000200000000, -0.0000052200000000, 0.0001406400000000 ] - [ -0.0000015500000000, -0.0000084000000000, -0.0001202000000000 ] - [ -0.0004143300000000, -0.0001837700000000, -0.0002003400000000 ] - [ -0.0000001600000000, -0.0001854000000000, 0.0001953300000000 ] - [ 0.0000162800000000, 0.0001856300000000, 0.0001955400000000 ] - [ 0.0000261500000000, 0.0001852200000000, -0.0001966000000000 ] - [ 0.0000292700000000, -0.0000688700000000, -0.0004598200000000 ] - [ 0.0000001700000000, -0.0000534800000000, 0.0004594700000000 ] - [ -0.0000049100000000, 0.0000533800000000, 0.0004597600000000 ] - [ -0.0000798000000000, 0.0000536300000000, -0.0004572000000000 ] - [ 0.0000449100000000, -0.0000000900000000, -0.0006379400000000 ] - [ 0.0000083800000000, -0.0000000500000000, 0.0006366000000000 ] - [ -0.0003084400000000, 0.0000057100000000, 0.0004286400000000 ] - [ -0.0000001200000000, -0.0000000700000000, -0.0004276200000000 ] - [ -0.0000000100000000, 0.0000051100000000, -0.0001412000000000 ] - [ 0.1117384000000000, 0.0001035100000000, 0.0004749200000000 ] - [ 0.0014870100000000, -0.0000393900000000, 0.0001385700000000 ] - [ -0.0000000800000000, -0.0000053400000000, -0.0001410400000000 ] - [ -0.0000000600000000, -0.0001851400000000, -0.0001953600000000 ] - [ 0.0000620300000000, -0.0001876300000000, 0.0001935900000000 ] - [ -0.0000085700000000, 0.0001843000000000, 0.0001974400000000 ] - [ -0.0000038100000000, 0.0001861800000000, -0.0001973600000000 ] - [ -0.0000000500000000, -0.0000537400000000, -0.0004601300000000 ] - [ -0.0003900000000000, -0.0000517900000000, 0.0004558100000000 ] - [ 0.0000167700000000, 0.0000526500000000, 0.0004646500000000 ] - [ 0.0000011000000000, 0.0000531000000000, -0.0004604600000000 ] - [ -0.0000042500000000, -0.0000020700000000, -0.0006373800000000 ] - [ -0.0000115800000000, 0.0000007600000000, 0.0006370600000000 ] - [ 0.0000002400000000, -0.0000005300000000, 0.0004268700000000 ] - [ 0.0000554400000000, 0.0000044600000000, -0.0004265500000000 ] - [ 0.0276817500000000, 0.0008047900000000, 0.0006939900000000 ] - [ 0.0000000600000000, 0.0000000600000000, -0.0004514600000000 ] - [ 0.0004207000000000, 0.0002477500000000, -0.0001376300000000 ] - [ -0.0000004900000000, 0.0002631700000000, 0.0001173200000000 ] - [ -0.0000004700000000, -0.0002608300000000, 0.0001172000000000 ] - [ 0.0001308800000000, -0.0002646300000000, -0.0001176900000000 ] - [ -0.0001485500000000, -0.0000094200000000, -0.0000511800000000 ] - [ 0.0001562500000000, -0.0000000900000000, 0.0000740400000000 ] - [ -0.0001538400000000, 0.0000004100000000, 0.0000792000000000 ] - [ 0.0001587600000000, 0.0000073900000000, -0.0001021300000000 ] - [ 0.0000002100000000, 0.0001439700000000, 0.0000061100000000 ] - [ 0.0000002700000000, -0.0001438700000000, -0.0000058100000000 ] - [ -0.0000003600000000, -0.0001440200000000, -0.0000059600000000 ] - [ -0.0000002100000000, 0.0001440700000000, 0.0000060900000000 ] - [ 0.0248382000000000, -0.0004914700000000, 0.0008400100000000 ] - [ -0.0000001200000000, 0.0000181000000000, -0.0000742500000000 ] - [ 0.0000007000000000, -0.0000182900000000, -0.0000803400000000 ] - [ -0.0006686700000000, -0.0000322000000000, 0.0000692700000000 ] - [ 0.0001438700000000, -0.0000000100000000, -0.0000003600000000 ] - [ -0.0000050800000000, 0.0000000800000000, 0.0000003300000000 ] - [ -0.0000073200000000, 0.0000984600000000, -0.0002588700000000 ] - [ -0.0000055100000000, 0.0000989400000000, 0.0002593200000000 ] - [ 0.0000815000000000, -0.0000981100000000, 0.0002594000000000 ] - [ -0.0000050200000000, -0.0000988000000000, -0.0002590900000000 ] - [ 0.0010463300000000, 0.0007455800000000, -0.0015452300000000 ] - [ 0.0001127800000000, 0.0000207600000000, 0.0000062700000000 ] - [ -0.0001084300000000, -0.0000215000000000, 0.0000138400000000 ] - [ 0.0001002700000000, -0.0000242700000000, -0.0000371900000000 ] - [ 0.0001177200000000, -0.0000198600000000, -0.0000009700000000 ] - [ -0.0001248700000000, -0.0000166600000000, 0.0000254800000000 ] - [ 0.0012468800000000, -0.0006979100000000, 0.0015197100000000 ] - [ -0.0001133600000000, 0.0000205200000000, 0.0000056800000000 ] - [ -0.0000001500000000, 0.0000000300000000, 0.0004514800000000 ] - [ -0.0157672200000000, -0.0000018600000000, -0.0004580000000000 ] - [ 0.0000005100000000, 0.0002613800000000, -0.0001168600000000 ] - [ 0.0000131100000000, 0.0002578200000000, 0.0001206800000000 ] - [ -0.0000132100000000, -0.0002626700000000, 0.0001149600000000 ] - [ 0.0000004900000000, -0.0002629800000000, -0.0001170600000000 ] - [ -0.0001556700000000, 0.0000001700000000, -0.0000753200000000 ] - [ 0.0001582900000000, 0.0000013000000000, 0.0000671800000000 ] - [ -0.0001519600000000, -0.0000026400000000, 0.0000858800000000 ] - [ 0.0001550700000000, 0.0000004900000000, -0.0000770200000000 ] - [ 0.1539647000000000, -0.0347767900000000, -0.0949761300000000 ] - [ 0.0006810800000000, -0.0002407000000000, 0.0009217600000000 ] - [ 0.0006449700000000, -0.0000569600000000, -0.0009162100000000 ] - [ 0.1629206900000000, 0.0373116100000000, 0.1023080600000000 ] - [ 0.0000000300000000, 0.0000183000000000, 0.0000805100000000 ] - [ -0.0138011200000000, 0.0000350600000000, -0.0000168400000000 ] - [ 0.0002000200000000, -0.0000149800000000, -0.0000824000000000 ] - [ -0.0000002000000000, -0.0000179500000000, 0.0000748700000000 ] - [ 0.0000016000000000, -0.0000000700000000, -0.0000008100000000 ] - [ -0.0000292500000000, -0.0000003400000000, 0.0000021000000000 ] - [ 0.0000023000000000, 0.0000999800000000, -0.0002594400000000 ] - [ 0.0000019800000000, 0.0000982100000000, 0.0002591700000000 ] - [ 0.0000019300000000, -0.0000990300000000, 0.0002591400000000 ] - [ -0.0000181400000000, -0.0000966200000000, -0.0002583700000000 ] - [ -0.0001130100000000, 0.0000207600000000, -0.0000065400000000 ] - [ -0.0001796000000000, 0.0002633200000000, 0.0003488100000000 ] - [ -0.0001097800000000, -0.0000213300000000, 0.0000149600000000 ] - [ 0.0001123800000000, -0.0000207700000000, -0.0000068700000000 ] - [ 0.0001178700000000, -0.0000186300000000, -0.0000042300000000 ] - [ -0.0001145000000000, -0.0000202400000000, -0.0000036700000000 ] - [ 0.0001131100000000, 0.0000206500000000, -0.0000063100000000 ] - [ -0.0004005700000000, -0.0002182300000000, -0.0003303400000000 ]- atom: 1 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0000000000000000, -0.4601784000000000, 0.0268430700000000 ] - [ 0.0000000000000000, 0.0006243300000000, -0.0004065500000000 ] - [ 0.0000000000000000, 0.0008042200000000, -0.0012368700000000 ] - [ 0.0000000000000000, 0.0678542500000000, -0.0075956000000000 ] - [ 0.0000000000000000, 0.0057330700000000, -0.0108885800000000 ] - [ 0.0000000000000000, -0.0013642200000000, 0.0029774500000000 ] - [ 0.0000000000000000, -0.0027762400000000, -0.0047432000000000 ] - [ 0.0000000000000000, 0.0070620400000000, 0.0063373400000000 ] - [ 0.0000000000000000, -0.0031477300000000, -0.0412523000000000 ] - [ 0.0000000000000000, 0.0016107400000000, 0.0005009200000000 ] - [ 0.0000000000000000, 0.0011872600000000, -0.0015727900000000 ] - [ 0.0000000000000000, 0.0050560200000000, 0.0183485900000000 ] - [ 0.0000000000000000, -0.0030687200000000, 0.0005074600000000 ] - [ 0.0000000000000000, 0.0087152900000000, -0.0007681000000000 ] - [ 0.0000000000000000, -0.0169589100000000, 0.0046343700000000 ] - [ 0.0000000000000000, 0.0022170400000000, -0.0017970200000000 ] - [ 0.0000000000000000, 0.0005408800000000, -0.0009989600000000 ] - [ 0.0000000000000000, -0.0150922700000000, 0.0097370600000000 ] - [ 0.0000000000000000, -0.0109798900000000, -0.0241024500000000 ] - [ 0.0000000000000000, 0.0002166400000000, -0.0011390700000000 ] - [ 0.0000000000000000, -0.0004222900000000, -0.0019968000000000 ] - [ 0.0000000000000000, 0.0006865700000000, 0.0024122900000000 ] - [ 0.0000000000000000, 0.0028126800000000, -0.0030251700000000 ] - [ 0.0000000000000000, -0.0008057400000000, 0.0001566000000000 ] - [ 0.0000000000000000, 0.0006336300000000, -0.0015512000000000 ] - [ 0.0000000000000000, -0.0028365800000000, 0.0054802600000000 ] - [ 0.0000000000000000, 0.0006049600000000, -0.0080439400000000 ] - [ 0.0000000000000000, 0.0001939500000000, -0.0011061600000000 ] - [ 0.0000000000000000, 0.0026792700000000, -0.0008301500000000 ] - [ 0.0000000000000000, -0.0009246800000000, -0.0004175100000000 ] - [ 0.0000000000000000, 0.0006862300000000, 0.0000140500000000 ] - [ 0.0000000000000000, -0.0042473700000000, -0.0017785800000000 ] - [ 0.0000000000000000, 0.2139010700000000, 0.0605804100000000 ] - [ 0.0000000000000000, -0.0006016200000000, -0.0001149700000000 ] - [ 0.0000000000000000, 0.0196264400000000, 0.0122665800000000 ] - [ 0.0000000000000000, -0.0013771400000000, 0.0009203300000000 ] - [ 0.0000000000000000, -0.0010219200000000, 0.0005256600000000 ] - [ 0.0000000000000000, 0.0059548300000000, -0.0087644800000000 ] - [ -0.0000605100000000, 0.0029907800000000, -0.0006682400000000 ] - [ -0.0002647200000000, -0.0017130300000000, 0.0007826900000000 ] - [ 0.0002647200000000, -0.0017130300000000, 0.0007826900000000 ] - [ 0.0000605100000000, 0.0029907800000000, -0.0006682400000000 ] - [ -0.0002064000000000, -0.0000244500000000, 0.0003435800000000 ] - [ 0.0003133700000000, -0.0002862900000000, 0.0005490000000000 ] - [ -0.0003133700000000, -0.0002862900000000, 0.0005490000000000 ] - [ 0.0002064000000000, -0.0000244500000000, 0.0003435800000000 ] - [ 0.0000000000000000, 0.1258830200000000, -0.1175161500000000 ] - [ 0.0000000000000000, -0.0002723700000000, 0.0000170300000000 ] - [ 0.0000000000000000, -0.0006472000000000, 0.0013513500000000 ] - [ 0.0000000000000000, -0.0134881000000000, -0.0132063600000000 ] - [ 0.0000000000000000, 0.0014747000000000, 0.0067913000000000 ] - [ 0.0000000000000000, 0.0000613600000000, -0.0036226500000000 ] - [ 0.0000000000000000, 0.0026458600000000, -0.0003083700000000 ] - [ 0.0000000000000000, -0.0060675000000000, -0.0013690500000000 ] - [ 0.0000000000000000, -0.0068713400000000, 0.0031509400000000 ] - [ 0.0000000000000000, 0.0013016500000000, -0.0003793700000000 ] - [ -0.0055215800000000, -0.0035699600000000, 0.0097752200000000 ] - [ 0.0005567000000000, -0.0002760800000000, -0.0006153700000000 ] - [ 0.0005645600000000, -0.0000965900000000, 0.0013321600000000 ] - [ -0.0029950200000000, -0.0032666400000000, -0.0047135800000000 ] - [ -0.0005645600000000, -0.0000965900000000, 0.0013321600000000 ] - [ 0.0029950200000000, -0.0032666400000000, -0.0047135800000000 ] - [ 0.0055215800000000, -0.0035699600000000, 0.0097752200000000 ] - [ -0.0005567000000000, -0.0002760800000000, -0.0006153700000000 ] - [ 0.0000000000000000, -0.0003701100000000, 0.0007553400000000 ] - [ 0.0000000000000000, 0.0219284200000000, -0.0014220500000000 ] - [ 0.0000000000000000, -0.0000702000000000, 0.0000678700000000 ] - [ 0.0000000000000000, 0.0033859500000000, -0.0012759800000000 ] - [ 0.0000000000000000, 0.0026734100000000, 0.0030167400000000 ] - [ 0.0000000000000000, -0.0006921600000000, 0.0002313500000000 ] - [ -0.0002723700000000, -0.0005248600000000, 0.0000998100000000 ] - [ -0.0002014900000000, 0.0007684100000000, 0.0006706600000000 ] - [ 0.0002014900000000, 0.0007684100000000, 0.0006706600000000 ] - [ 0.0002723700000000, -0.0005248600000000, 0.0000998100000000 ] - [ -0.0364375900000000, 0.0398934400000000, 0.0214023200000000 ] - [ 0.0116421800000000, -0.0087218500000000, 0.0124196500000000 ] - [ -0.0116421800000000, -0.0087218500000000, 0.0124196500000000 ] - [ 0.0364375900000000, 0.0398934400000000, 0.0214023200000000 ] - [ 0.0000000000000000, -0.0003710100000000, 0.0009170700000000 ] - [ 0.0000000000000000, 0.0016009400000000, -0.0034748700000000 ] - [ 0.0000000000000000, -0.0014823200000000, 0.0098546400000000 ] - [ 0.0000000000000000, 0.0000979200000000, 0.0006803400000000 ] - [ 0.0000000000000000, 0.0001572000000000, 0.0019739200000000 ] - [ 0.0000000000000000, 0.0002968300000000, -0.0009701500000000 ] - [ 0.0000000000000000, -0.0022203600000000, 0.0005033200000000 ] - [ 0.0000000000000000, 0.0010187200000000, 0.0006040500000000 ] - [ 0.0000000000000000, 0.0001455400000000, 0.0006197800000000 ] - [ 0.0000000000000000, -0.0015135900000000, -0.0009689700000000 ] - [ -0.0004764900000000, -0.0002202700000000, 0.0005896400000000 ] - [ 0.0004284100000000, 0.0000970600000000, -0.0014067000000000 ] - [ 0.0011885600000000, -0.0012772600000000, 0.0022985800000000 ] - [ 0.0001720900000000, 0.0001261200000000, 0.0000740500000000 ] - [ -0.0011885600000000, -0.0012772600000000, 0.0022985800000000 ] - [ -0.0001720900000000, 0.0001261200000000, 0.0000740500000000 ] - [ 0.0004764900000000, -0.0002202700000000, 0.0005896400000000 ] - [ -0.0004284100000000, 0.0000970600000000, -0.0014067000000000 ]- atom: 1 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0000000000000000, 0.4736600800000000, -0.0147733600000000 ] - [ 0.0000000000000000, -0.0006137200000000, 0.0006883700000000 ] - [ 0.0000000000000000, -0.0008157000000000, 0.0015196200000000 ] - [ 0.0000000000000000, -0.0683558700000000, 0.0070906500000000 ] - [ 0.0000000000000000, -0.0061182500000000, 0.0104868200000000 ] - [ 0.0000000000000000, 0.0009974900000000, -0.0025875500000000 ] - [ 0.0000000000000000, 0.0031444000000000, 0.0051361400000000 ] - [ 0.0000000000000000, -0.0066837100000000, -0.0067345000000000 ] - [ 0.0000000000000000, 0.0030069700000000, 0.0401389000000000 ] - [ 0.0000000000000000, -0.0017157500000000, 0.0004186500000000 ] - [ 0.0000000000000000, -0.0010835400000000, 0.0024938200000000 ] - [ 0.0000000000000000, -0.0049431900000000, -0.0192610700000000 ] - [ 0.0000000000000000, 0.0030705600000000, -0.0017758200000000 ] - [ 0.0000000000000000, -0.0087160700000000, 0.0020350200000000 ] - [ 0.0000000000000000, 0.0169674400000000, -0.0037758600000000 ] - [ 0.0000000000000000, -0.0022181500000000, 0.0009383200000000 ] - [ 0.0000000000000000, -0.0005307000000000, 0.0007182100000000 ] - [ 0.0000000000000000, 0.0150558000000000, -0.0094737800000000 ] - [ 0.0000000000000000, 0.0110440400000000, 0.0244747300000000 ] - [ 0.0000000000000000, -0.0002278200000000, 0.0008585700000000 ] - [ 0.0000000000000000, 0.0000544200000000, 0.0016088900000000 ] - [ 0.0000000000000000, -0.0010707900000000, -0.0020242600000000 ] - [ 0.0000000000000000, -0.0024407900000000, 0.0034250500000000 ] - [ 0.0000000000000000, 0.0011767100000000, -0.0005504700000000 ] - [ 0.0000000000000000, -0.0007403300000000, 0.0006329600000000 ] - [ 0.0000000000000000, 0.0027162600000000, -0.0045970700000000 ] - [ 0.0000000000000000, -0.0004886600000000, 0.0089828900000000 ] - [ 0.0000000000000000, -0.0000891900000000, 0.0001868300000000 ] - [ 0.0000000000000000, -0.0026847800000000, -0.0004397000000000 ] - [ 0.0000000000000000, 0.0009269300000000, 0.0016890700000000 ] - [ 0.0000000000000000, -0.0006879200000000, 0.0008434200000000 ] - [ 0.0000000000000000, 0.0042618500000000, 0.0009196800000000 ] - [ 0.0000000000000000, -0.2282936400000000, -0.0648937500000000 ] - [ 0.0000000000000000, 0.0006019900000000, -0.0007885100000000 ] - [ 0.0000000000000000, -0.0191127600000000, -0.0125036200000000 ] - [ 0.0000000000000000, 0.0019022600000000, -0.0006851500000000 ] - [ 0.0000000000000000, 0.0005022700000000, -0.0002905500000000 ] - [ 0.0000000000000000, -0.0064898700000000, 0.0085382400000000 ] - [ -0.0002472800000000, -0.0029935400000000, 0.0005117400000000 ] - [ 0.0005738300000000, 0.0017134900000000, -0.0006279800000000 ] - [ -0.0005738300000000, 0.0017134900000000, -0.0006279800000000 ] - [ 0.0002472800000000, -0.0029935400000000, 0.0005117400000000 ] - [ 0.0002072200000000, 0.0003119900000000, -0.0003320600000000 ] - [ -0.0003131500000000, -0.0000010500000000, -0.0005614600000000 ] - [ 0.0003131500000000, -0.0000010500000000, -0.0005614600000000 ] - [ -0.0002072200000000, 0.0003119900000000, -0.0003320600000000 ] - [ 0.0000000000000000, -0.1230791700000000, 0.1121873500000000 ] - [ 0.0000000000000000, 0.0003069300000000, -0.0001655100000000 ] - [ 0.0000000000000000, 0.0006127500000000, -0.0015123800000000 ] - [ 0.0000000000000000, 0.0133715600000000, 0.0133480300000000 ] - [ 0.0000000000000000, -0.0014730300000000, -0.0067933600000000 ] - [ 0.0000000000000000, -0.0000634700000000, 0.0036247200000000 ] - [ 0.0000000000000000, -0.0024470800000000, -0.0002093700000000 ] - [ 0.0000000000000000, 0.0062617900000000, 0.0018906400000000 ] - [ 0.0000000000000000, 0.0066826800000000, -0.0026288100000000 ] - [ 0.0000000000000000, -0.0015025000000000, -0.0001390700000000 ] - [ 0.0053150400000000, 0.0036399200000000, -0.0097997000000000 ] - [ -0.0003299200000000, 0.0003157100000000, 0.0006272400000000 ] - [ -0.0007918300000000, 0.0000569400000000, -0.0013202000000000 ] - [ 0.0032183600000000, 0.0032222300000000, 0.0047017100000000 ] - [ 0.0007918300000000, 0.0000569400000000, -0.0013202000000000 ] - [ -0.0032183600000000, 0.0032222300000000, 0.0047017100000000 ] - [ -0.0053150400000000, 0.0036399200000000, -0.0097997000000000 ] - [ 0.0003299200000000, 0.0003157100000000, 0.0006272400000000 ] - [ 0.0000000000000000, 0.0003703900000000, 0.0001474700000000 ] - [ 0.0000000000000000, -0.0220506700000000, 0.0005439700000000 ] - [ 0.0000000000000000, 0.0005918100000000, -0.0003026800000000 ] - [ 0.0000000000000000, -0.0028675600000000, 0.0015205900000000 ] - [ 0.0000000000000000, -0.0032066800000000, -0.0027881000000000 ] - [ 0.0000000000000000, 0.0001679100000000, -0.0004667800000000 ] - [ -0.0000372000000000, 0.0005257900000000, -0.0002536600000000 ] - [ 0.0005108500000000, -0.0007706300000000, -0.0005165100000000 ] - [ -0.0005108500000000, -0.0007706300000000, -0.0005165100000000 ] - [ 0.0000372000000000, 0.0005257900000000, -0.0002536600000000 ] - [ 0.0374242700000000, -0.0402483600000000, -0.0220426400000000 ] - [ -0.0116807900000000, 0.0084651900000000, -0.0124509800000000 ] - [ 0.0116807900000000, 0.0084651900000000, -0.0124509800000000 ] - [ -0.0374242700000000, -0.0402483600000000, -0.0220426400000000 ] - [ 0.0000000000000000, 0.0004065600000000, -0.0007583600000000 ] - [ 0.0000000000000000, -0.0015163700000000, 0.0034030300000000 ] - [ 0.0000000000000000, 0.0014369900000000, -0.0100366500000000 ] - [ 0.0000000000000000, -0.0001328100000000, -0.0005325600000000 ] - [ 0.0000000000000000, -0.0001591700000000, -0.0019788900000000 ] - [ 0.0000000000000000, -0.0002958500000000, 0.0009733300000000 ] - [ 0.0000000000000000, 0.0024196100000000, -0.0010234500000000 ] - [ 0.0000000000000000, -0.0008215400000000, -0.0000869200000000 ] - [ 0.0000000000000000, -0.0003455800000000, -0.0001033200000000 ] - [ 0.0000000000000000, 0.0013236800000000, 0.0004508100000000 ] - [ 0.0002504900000000, 0.0002608600000000, -0.0006035500000000 ] - [ -0.0002094000000000, -0.0000471700000000, 0.0014264200000000 ] - [ -0.0014159200000000, 0.0012353000000000, -0.0022899100000000 ] - [ 0.0000548300000000, -0.0001664000000000, -0.0000852000000000 ] - [ 0.0014159200000000, 0.0012353000000000, -0.0022899100000000 ] - [ -0.0000548300000000, -0.0001664000000000, -0.0000852000000000 ] - [ -0.0002504900000000, 0.0002608600000000, -0.0006035500000000 ] - [ 0.0002094000000000, -0.0000471700000000, 0.0014264200000000 ]- atom: 1 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0161487500000000, -0.4999934700000000 ] - [ 0.0000000000000000, 0.0005527900000000, 0.0061141600000000 ] - [ 0.0000000000000000, -0.0013834500000000, 0.0069257300000000 ] - [ 0.0000000000000000, 0.0073451100000000, -0.0215821600000000 ] - [ 0.0000000000000000, -0.0090176900000000, 0.0096365700000000 ] - [ 0.0000000000000000, 0.0030247200000000, 0.0025971600000000 ] - [ 0.0000000000000000, -0.0001006200000000, 0.0081639500000000 ] - [ 0.0000000000000000, -0.0007162200000000, -0.0015477000000000 ] - [ 0.0000000000000000, -0.0160843700000000, 0.0492741200000000 ] - [ 0.0000000000000000, 0.0003215400000000, 0.0058058100000000 ] - [ 0.0000000000000000, -0.0023248700000000, 0.0073797200000000 ] - [ 0.0000000000000000, 0.0050279100000000, -0.0091857300000000 ] - [ 0.0000000000000000, 0.0021889200000000, 0.0052023700000000 ] - [ 0.0000000000000000, -0.0058324800000000, 0.0033016900000000 ] - [ 0.0000000000000000, 0.0146195500000000, 0.0076801000000000 ] - [ 0.0000000000000000, -0.0015567000000000, 0.0033493800000000 ] - [ 0.0000000000000000, -0.0008530000000000, 0.0059552900000000 ] - [ 0.0000000000000000, -0.0095826900000000, 0.0400201500000000 ] - [ 0.0000000000000000, -0.0243031300000000, -0.0160884700000000 ] - [ 0.0000000000000000, 0.0009938200000000, 0.0065490100000000 ] - [ 0.0000000000000000, -0.0021253800000000, 0.0037465100000000 ] - [ 0.0000000000000000, 0.0043304000000000, 0.0080964200000000 ] - [ 0.0000000000000000, -0.0002466500000000, 0.0023190200000000 ] - [ 0.0000000000000000, 0.0008652700000000, 0.0062198600000000 ] - [ 0.0000000000000000, -0.0006870500000000, 0.0053290900000000 ] - [ 0.0000000000000000, 0.0024853300000000, 0.0161392000000000 ] - [ 0.0000000000000000, -0.0038086900000000, 0.0004570700000000 ] - [ 0.0000000000000000, 0.0015375000000000, 0.0061121100000000 ] - [ 0.0000000000000000, 0.0027591300000000, 0.0029668300000000 ] - [ 0.0000000000000000, -0.0009506700000000, 0.0058558400000000 ] - [ 0.0000000000000000, 0.0006521700000000, 0.0048039800000000 ] - [ 0.0000000000000000, -0.0049240200000000, 0.0056027800000000 ] - [ 0.0000000000000000, 0.0622953700000000, 0.0604501000000000 ] - [ 0.0000000000000000, 0.0003206400000000, -0.0025611000000000 ] - [ 0.0000000000000000, -0.0107837300000000, -0.0140786500000000 ] - [ 0.0000000000000000, 0.0018140600000000, -0.0021691900000000 ] - [ 0.0000000000000000, -0.0001323500000000, -0.0019159900000000 ] - [ 0.0000000000000000, -0.0077401700000000, 0.0029089500000000 ] - [ 0.0021424700000000, -0.0024351100000000, -0.0034557900000000 ] - [ 0.0012523300000000, 0.0011632900000000, -0.0016580900000000 ] - [ -0.0012523300000000, 0.0011632900000000, -0.0016580900000000 ] - [ -0.0021424700000000, -0.0024351100000000, -0.0034557900000000 ] - [ 0.0016782000000000, 0.0001859700000000, -0.0028640500000000 ] - [ -0.0018316400000000, -0.0000880100000000, -0.0031904600000000 ] - [ 0.0018316400000000, -0.0000880100000000, -0.0031904600000000 ] - [ -0.0016782000000000, 0.0001859700000000, -0.0028640500000000 ] - [ 0.0000000000000000, -0.1156661300000000, 0.1784586900000000 ] - [ 0.0000000000000000, -0.0012878200000000, -0.0045578500000000 ] - [ 0.0000000000000000, 0.0019430300000000, -0.0056137900000000 ] - [ 0.0000000000000000, 0.0001071000000000, 0.0083567400000000 ] - [ 0.0000000000000000, -0.0006091500000000, -0.0077277100000000 ] - [ 0.0000000000000000, -0.0003799400000000, -0.0003031300000000 ] - [ 0.0000000000000000, 0.0004101600000000, -0.0024469900000000 ] - [ 0.0000000000000000, 0.0021891400000000, 0.0008218800000000 ] - [ 0.0000000000000000, 0.0068803500000000, -0.0020247600000000 ] - [ 0.0000000000000000, -0.0032457100000000, -0.0024172900000000 ] - [ 0.0069684800000000, 0.0063512400000000, -0.0090241500000000 ] - [ 0.0010754900000000, -0.0009353500000000, -0.0016172700000000 ] - [ -0.0018851100000000, 0.0012139100000000, -0.0030368300000000 ] - [ 0.0003449300000000, -0.0004678200000000, 0.0016849700000000 ] - [ 0.0018851100000000, 0.0012139100000000, -0.0030368300000000 ] - [ -0.0003449300000000, -0.0004678200000000, 0.0016849700000000 ] - [ -0.0069684800000000, 0.0063512400000000, -0.0090241500000000 ] - [ -0.0010754900000000, -0.0009353500000000, -0.0016172700000000 ] - [ 0.0000000000000000, -0.0000143600000000, -0.0016750000000000 ] - [ 0.0000000000000000, 0.0243648100000000, -0.0050319400000000 ] - [ 0.0000000000000000, -0.0010332700000000, -0.0025141800000000 ] - [ 0.0000000000000000, 0.0044136500000000, -0.0055185300000000 ] - [ 0.0000000000000000, 0.0024678500000000, -0.0004206200000000 ] - [ 0.0000000000000000, 0.0003394700000000, -0.0024337800000000 ] - [ 0.0011327600000000, -0.0005348700000000, -0.0021526200000000 ] - [ 0.0018551800000000, 0.0008711200000000, -0.0027475300000000 ] - [ -0.0018551800000000, 0.0008711200000000, -0.0027475300000000 ] - [ -0.0011327600000000, -0.0005348700000000, -0.0021526200000000 ] - [ -0.1202559300000000, 0.0254158200000000, 0.1067988900000000 ] - [ 0.0092775800000000, 0.0001508600000000, 0.0124205500000000 ] - [ -0.0092775800000000, 0.0001508600000000, 0.0124205500000000 ] - [ 0.1202559300000000, 0.0254158200000000, 0.1067988900000000 ] - [ 0.0000000000000000, 0.0014608700000000, -0.0046629700000000 ] - [ 0.0000000000000000, -0.0040550000000000, -0.0151463000000000 ] - [ 0.0000000000000000, 0.0035014100000000, 0.0021696000000000 ] - [ 0.0000000000000000, -0.0017403700000000, -0.0052234500000000 ] - [ 0.0000000000000000, -0.0001892200000000, -0.0024350900000000 ] - [ 0.0000000000000000, 0.0006677700000000, -0.0057020300000000 ] - [ 0.0000000000000000, -0.0001727400000000, -0.0009051200000000 ] - [ 0.0000000000000000, -0.0007106000000000, -0.0017601500000000 ] - [ 0.0000000000000000, 0.0019013300000000, -0.0017124400000000 ] - [ 0.0000000000000000, -0.0038439400000000, -0.0023669400000000 ] - [ 0.0009992700000000, 0.0009082700000000, -0.0019809200000000 ] - [ 0.0027294200000000, -0.0025883400000000, -0.0046056500000000 ] - [ -0.0008025700000000, 0.0009105900000000, -0.0004687200000000 ] - [ -0.0013672100000000, -0.0010354500000000, -0.0026259800000000 ] - [ 0.0008025700000000, 0.0009105900000000, -0.0004687200000000 ] - [ 0.0013672100000000, -0.0010354500000000, -0.0026259800000000 ] - [ -0.0009992700000000, 0.0009082700000000, -0.0019809200000000 ] - [ -0.0027294200000000, -0.0025883400000000, -0.0046056500000000 ]- atom: 1 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0000000000000000, -0.0256176700000000, 0.5042226000000000 ] - [ 0.0000000000000000, -0.0005414200000000, -0.0058332300000000 ] - [ 0.0000000000000000, 0.0013727100000000, -0.0066438600000000 ] - [ 0.0000000000000000, -0.0073435900000000, 0.0213189100000000 ] - [ 0.0000000000000000, 0.0086587900000000, -0.0100182400000000 ] - [ 0.0000000000000000, -0.0034082000000000, -0.0022027200000000 ] - [ 0.0000000000000000, 0.0004840200000000, -0.0077707100000000 ] - [ 0.0000000000000000, 0.0010808900000000, 0.0011683400000000 ] - [ 0.0000000000000000, 0.0163945100000000, -0.0503955200000000 ] - [ 0.0000000000000000, -0.0004328200000000, -0.0048857800000000 ] - [ 0.0000000000000000, 0.0024367700000000, -0.0064592600000000 ] - [ 0.0000000000000000, -0.0049506100000000, 0.0083155000000000 ] - [ 0.0000000000000000, -0.0021889000000000, -0.0064979500000000 ] - [ 0.0000000000000000, 0.0058314000000000, -0.0020180700000000 ] - [ 0.0000000000000000, -0.0146963400000000, -0.0068736100000000 ] - [ 0.0000000000000000, 0.0015567800000000, -0.0041958700000000 ] - [ 0.0000000000000000, 0.0008651800000000, -0.0062387200000000 ] - [ 0.0000000000000000, 0.0096295500000000, -0.0398411000000000 ] - [ 0.0000000000000000, 0.0242727700000000, 0.0163209700000000 ] - [ 0.0000000000000000, -0.0010046600000000, -0.0068310000000000 ] - [ 0.0000000000000000, 0.0017517400000000, -0.0041417600000000 ] - [ 0.0000000000000000, -0.0046907200000000, -0.0076985500000000 ] - [ 0.0000000000000000, 0.0006186600000000, -0.0019355400000000 ] - [ 0.0000000000000000, -0.0004948200000000, -0.0066093800000000 ] - [ 0.0000000000000000, 0.0005806500000000, -0.0062513000000000 ] - [ 0.0000000000000000, -0.0025866700000000, -0.0152046300000000 ] - [ 0.0000000000000000, 0.0039089900000000, 0.0004447200000000 ] - [ 0.0000000000000000, -0.0014288500000000, -0.0070323900000000 ] - [ 0.0000000000000000, -0.0027528100000000, -0.0042447900000000 ] - [ 0.0000000000000000, 0.0009482200000000, -0.0045795900000000 ] - [ 0.0000000000000000, -0.0006505000000000, -0.0039524100000000 ] - [ 0.0000000000000000, 0.0049118400000000, -0.0064553000000000 ] - [ 0.0000000000000000, -0.0626375300000000, -0.0590666500000000 ] - [ 0.0000000000000000, -0.0003208400000000, 0.0016582000000000 ] - [ 0.0000000000000000, 0.0113092600000000, 0.0139225500000000 ] - [ 0.0000000000000000, -0.0012844500000000, 0.0024009100000000 ] - [ 0.0000000000000000, -0.0003930900000000, 0.0021474200000000 ] - [ 0.0000000000000000, 0.0072545400000000, -0.0031561100000000 ] - [ -0.0024637900000000, 0.0024436600000000, 0.0033177500000000 ] - [ -0.0009396500000000, -0.0011629300000000, 0.0018061000000000 ] - [ 0.0009396500000000, -0.0011629300000000, 0.0018061000000000 ] - [ 0.0024637900000000, 0.0024436600000000, 0.0033177500000000 ] - [ -0.0016778600000000, 0.0001010300000000, 0.0028764400000000 ] - [ 0.0018321900000000, -0.0001992800000000, 0.0031786000000000 ] - [ -0.0018321900000000, -0.0001992800000000, 0.0031786000000000 ] - [ 0.0016778600000000, 0.0001010300000000, 0.0028764400000000 ] - [ 0.0000000000000000, 0.1233075900000000, -0.1858217900000000 ] - [ 0.0000000000000000, 0.0013234900000000, 0.0044099400000000 ] - [ 0.0000000000000000, -0.0019791000000000, 0.0054537800000000 ] - [ 0.0000000000000000, -0.0001816200000000, -0.0082560900000000 ] - [ 0.0000000000000000, 0.0006008500000000, 0.0077135600000000 ] - [ 0.0000000000000000, 0.0003860600000000, 0.0002943100000000 ] - [ 0.0000000000000000, -0.0002217600000000, 0.0019355900000000 ] - [ 0.0000000000000000, -0.0019898400000000, -0.0003089300000000 ] - [ 0.0000000000000000, -0.0070789200000000, 0.0025362900000000 ] - [ 0.0000000000000000, 0.0030582700000000, 0.0019058100000000 ] - [ -0.0071779100000000, -0.0063303800000000, 0.0089781100000000 ] - [ -0.0008501700000000, 0.0009786900000000, 0.0016299800000000 ] - [ 0.0016593800000000, -0.0012576700000000, 0.0030502300000000 ] - [ -0.0001198900000000, 0.0004313500000000, -0.0017068600000000 ] - [ -0.0016593800000000, -0.0012576700000000, 0.0030502300000000 ] - [ 0.0001198900000000, 0.0004313500000000, -0.0017068600000000 ] - [ 0.0071779100000000, -0.0063303800000000, 0.0089781100000000 ] - [ 0.0008501700000000, 0.0009786900000000, 0.0016299800000000 ] - [ 0.0000000000000000, 0.0000137900000000, 0.0025781500000000 ] - [ 0.0000000000000000, -0.0243706100000000, 0.0041794100000000 ] - [ 0.0000000000000000, 0.0015552000000000, 0.0022810300000000 ] - [ 0.0000000000000000, -0.0038848200000000, 0.0057504200000000 ] - [ 0.0000000000000000, -0.0029800100000000, 0.0006608100000000 ] - [ 0.0000000000000000, -0.0008674700000000, 0.0022005500000000 ] - [ -0.0014440600000000, 0.0005335600000000, 0.0020020100000000 ] - [ -0.0015450100000000, -0.0008690300000000, 0.0028992900000000 ] - [ 0.0015450100000000, -0.0008690300000000, 0.0028992900000000 ] - [ 0.0014440600000000, 0.0005335600000000, 0.0020020100000000 ] - [ 0.1161344300000000, -0.0241618300000000, -0.1054261000000000 ] - [ -0.0092540300000000, -0.0004624200000000, -0.0123969000000000 ] - [ 0.0092540300000000, -0.0004624200000000, -0.0123969000000000 ] - [ -0.1161344300000000, -0.0241618300000000, -0.1054261000000000 ] - [ 0.0000000000000000, -0.0014261800000000, 0.0048242100000000 ] - [ 0.0000000000000000, 0.0040968500000000, 0.0150409700000000 ] - [ 0.0000000000000000, -0.0035428400000000, -0.0023074700000000 ] - [ 0.0000000000000000, 0.0017049800000000, 0.0053718100000000 ] - [ 0.0000000000000000, 0.0001908500000000, 0.0024400400000000 ] - [ 0.0000000000000000, -0.0006685600000000, 0.0057001200000000 ] - [ 0.0000000000000000, 0.0003668000000000, 0.0003923500000000 ] - [ 0.0000000000000000, 0.0009085500000000, 0.0022762200000000 ] - [ 0.0000000000000000, -0.0020964000000000, 0.0022280000000000 ] - [ 0.0000000000000000, 0.0036411900000000, 0.0018502800000000 ] - [ -0.0012261200000000, -0.0008674800000000, 0.0019683800000000 ] - [ -0.0025034400000000, 0.0026248900000000, 0.0046145400000000 ] - [ 0.0005780300000000, -0.0009511700000000, 0.0004872700000000 ] - [ 0.0015933800000000, 0.0009944500000000, 0.0026134500000000 ] - [ -0.0005780300000000, -0.0009511700000000, 0.0004872700000000 ] - [ -0.0015933800000000, 0.0009944500000000, 0.0026134500000000 ] - [ 0.0012261200000000, -0.0008674800000000, 0.0019683800000000 ] - [ 0.0025034400000000, 0.0026248900000000, 0.0046145400000000 ]- atom: 5 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0004142500000000, 0.0000081100000000, -0.0001413500000000 ] - [ -0.0000002000000000, 0.0000056300000000, 0.0001398500000000 ] - [ 0.0000163600000000, -0.0000056600000000, 0.0001400500000000 ] - [ 0.0000261100000000, -0.0000029000000000, -0.0001394600000000 ] - [ -0.4578433900000000, 0.0049594000000000, -0.0077274300000000 ] - [ -0.0000183600000000, -0.0001844700000000, 0.0001962900000000 ] - [ 0.0026255200000000, 0.0001717300000000, 0.0001857100000000 ] - [ -0.0001697900000000, 0.0001830400000000, -0.0001957500000000 ] - [ 0.1122081000000000, -0.0002463300000000, -0.0001649900000000 ] - [ 0.0000121100000000, -0.0000514800000000, 0.0004589900000000 ] - [ -0.0003934100000000, 0.0000434400000000, 0.0004498100000000 ] - [ 0.0000813600000000, 0.0000508400000000, -0.0004575500000000 ] - [ -0.0008396900000000, 0.0000114900000000, -0.0006455400000000 ] - [ -0.0007546700000000, -0.0000174300000000, 0.0006330100000000 ] - [ 0.0004564300000000, -0.0000241900000000, 0.0004112600000000 ] - [ 0.0015073200000000, 0.0000159500000000, -0.0004350800000000 ] - [ -0.0000001300000000, 0.0000054300000000, -0.0001416900000000 ] - [ 0.0000620400000000, 0.0000057700000000, 0.0001385300000000 ] - [ -0.0000085300000000, -0.0000038500000000, 0.0001412000000000 ] - [ -0.0000039000000000, -0.0000054000000000, -0.0001412400000000 ] - [ 0.0000000200000000, -0.0001854600000000, -0.0001962800000000 ] - [ 0.0000025700000000, -0.0001859500000000, 0.0001951500000000 ] - [ 0.0000002400000000, 0.0001857500000000, 0.0001956200000000 ] - [ -0.0000002700000000, 0.0001855100000000, -0.0001963500000000 ] - [ -0.0000000800000000, -0.0000530900000000, -0.0004606500000000 ] - [ -0.0000048000000000, -0.0000534700000000, 0.0004585800000000 ] - [ -0.0000002500000000, 0.0000536000000000, 0.0004598300000000 ] - [ 0.0000000100000000, 0.0000531700000000, -0.0004604400000000 ] - [ 0.0000001800000000, -0.0000000800000000, -0.0006375500000000 ] - [ -0.0000000300000000, -0.0000000200000000, 0.0006368100000000 ] - [ 0.0000002100000000, -0.0000000300000000, 0.0004265800000000 ] - [ -0.0000000300000000, 0.0000002500000000, -0.0004276300000000 ] - [ 0.0000245400000000, -0.0000048800000000, 0.0004505400000000 ] - [ -0.0000018700000000, 0.0000000000000000, -0.0004506000000000 ] - [ -0.0152931500000000, 0.0002678400000000, -0.0001268600000000 ] - [ -0.0000779100000000, 0.0002612600000000, 0.0001171500000000 ] - [ -0.0003594900000000, -0.0002611800000000, 0.0001236300000000 ] - [ 0.0001067300000000, -0.0002585800000000, -0.0001177400000000 ] - [ -0.0003833000000000, -0.0003265400000000, 0.0001585900000000 ] - [ 0.0008930600000000, -0.0004312200000000, -0.0009503600000000 ] - [ 0.0005429500000000, 0.0004343000000000, 0.0010837400000000 ] - [ -0.0000622500000000, 0.0003281600000000, -0.0003015400000000 ] - [ 0.0000000300000000, 0.0001435900000000, 0.0000063800000000 ] - [ 0.0000045400000000, -0.0001451800000000, 0.0000012300000000 ] - [ 0.0000037900000000, -0.0001424900000000, -0.0000128700000000 ] - [ -0.0000001200000000, 0.0001438300000000, 0.0000062400000000 ] - [ -0.0133186900000000, -0.0000086000000000, 0.0001273300000000 ] - [ 0.0000000500000000, 0.0000175000000000, -0.0000737600000000 ] - [ 0.0001382800000000, -0.0000162500000000, -0.0000798700000000 ] - [ -0.0000138100000000, -0.0000185000000000, 0.0000726900000000 ] - [ 0.0258898400000000, 0.0002637200000000, 0.0008003400000000 ] - [ 0.0000351400000000, 0.0000007400000000, -0.0000010200000000 ] - [ -0.0004053600000000, 0.0000781200000000, -0.0002687800000000 ] - [ -0.0004087300000000, 0.0001159600000000, 0.0002569400000000 ] - [ 0.0259371700000000, -0.0009882200000000, 0.0003189600000000 ] - [ 0.0000701000000000, -0.0001005500000000, -0.0002575700000000 ] - [ 0.1546324100000000, 0.0532621700000000, -0.0860468200000000 ] - [ 0.0001144700000000, 0.0000168100000000, 0.0000076200000000 ] - [ 0.0010140300000000, -0.0003846200000000, 0.0016257800000000 ] - [ 0.0001007500000000, -0.0000432300000000, -0.0000270900000000 ] - [ 0.0012689900000000, 0.0003491800000000, -0.0016294400000000 ] - [ -0.0001277900000000, 0.0000045000000000, 0.0000159600000000 ] - [ 0.1638848400000000, -0.0574951700000000, 0.0924543700000000 ] - [ -0.0001126600000000, 0.0000230800000000, 0.0000040700000000 ] - [ 0.0000006200000000, -0.0000000700000000, 0.0004512000000000 ] - [ -0.0000264600000000, -0.0000014700000000, -0.0004506300000000 ] - [ 0.0000006000000000, 0.0002608900000000, -0.0001168500000000 ] - [ -0.0000004400000000, 0.0002626700000000, 0.0001176500000000 ] - [ -0.0000006200000000, -0.0002609200000000, 0.0001172500000000 ] - [ 0.0000005900000000, -0.0002630700000000, -0.0001170000000000 ] - [ -0.0001556400000000, -0.0000000800000000, -0.0000758300000000 ] - [ 0.0001552700000000, 0.0000000700000000, 0.0000763200000000 ] - [ -0.0001550800000000, -0.0000001000000000, 0.0000765300000000 ] - [ 0.0001554000000000, -0.0000000600000000, -0.0000760800000000 ] - [ -0.0002995000000000, 0.0000803300000000, 0.0004280200000000 ] - [ 0.0000005500000000, -0.0001455500000000, -0.0000030300000000 ] - [ 0.0000000900000000, -0.0001434500000000, -0.0000094400000000 ] - [ -0.0002953200000000, 0.0002055900000000, -0.0004095200000000 ] - [ 0.0000000300000000, 0.0000177200000000, 0.0000805600000000 ] - [ -0.0000228100000000, 0.0000182100000000, -0.0000727200000000 ] - [ 0.0000017700000000, -0.0000183100000000, -0.0000798500000000 ] - [ 0.0000007200000000, -0.0000176800000000, 0.0000745800000000 ] - [ -0.0000000500000000, 0.0000000400000000, 0.0000002700000000 ] - [ -0.0000003900000000, -0.0000000700000000, 0.0000005300000000 ] - [ -0.0000004400000000, 0.0000985700000000, -0.0002584100000000 ] - [ 0.0000002500000000, 0.0000988300000000, 0.0002587400000000 ] - [ 0.0000002600000000, -0.0000987600000000, 0.0002584200000000 ] - [ -0.0000008400000000, -0.0000983300000000, -0.0002584600000000 ] - [ -0.0001133100000000, 0.0000205900000000, -0.0000063100000000 ] - [ 0.0001120400000000, 0.0000209800000000, 0.0000085200000000 ] - [ -0.0001131100000000, -0.0000207900000000, 0.0000065700000000 ] - [ 0.0001133100000000, -0.0000205700000000, -0.0000055300000000 ] - [ 0.0001131200000000, -0.0000206400000000, 0.0000066000000000 ] - [ -0.0001133600000000, -0.0000205700000000, -0.0000055900000000 ] - [ 0.0001132700000000, 0.0000206000000000, -0.0000062300000000 ] - [ -0.0001138700000000, 0.0000205700000000, 0.0000041800000000 ]- atom: 5 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0000000000000000, 0.0059513600000000, -0.0089885000000000 ] - [ 0.0000000000000000, -0.0011806800000000, -0.0030820900000000 ] - [ 0.0000000000000000, -0.0029719800000000, -0.0001488700000000 ] - [ 0.0000000000000000, 0.0068763200000000, 0.0007655800000000 ] - [ 0.0000000000000000, -0.4917162200000000, 0.0164294000000000 ] - [ 0.0000000000000000, 0.0105549700000000, -0.0019479100000000 ] - [ 0.0000000000000000, 0.0061922800000000, 0.0259371300000000 ] - [ 0.0000000000000000, 0.0204748500000000, 0.0012085200000000 ] - [ 0.0000000000000000, 0.0211896600000000, -0.0200740200000000 ] - [ 0.0000000000000000, 0.0083889100000000, -0.0044648000000000 ] - [ 0.0000000000000000, -0.0183163900000000, 0.0006992100000000 ] - [ 0.0000000000000000, 0.0140237000000000, 0.0019840600000000 ] - [ 0.0000000000000000, 0.0106989600000000, 0.0072051400000000 ] - [ 0.0000000000000000, 0.0650025800000000, -0.0302104800000000 ] - [ 0.0000000000000000, 0.0174619200000000, 0.0028836300000000 ] - [ 0.0000000000000000, -0.0051621300000000, -0.0254701900000000 ] - [ 0.0000000000000000, -0.0002341800000000, -0.0020828300000000 ] - [ 0.0000000000000000, 0.0008888400000000, -0.0043758200000000 ] - [ 0.0000000000000000, 0.0026259100000000, -0.0002887300000000 ] - [ 0.0000000000000000, -0.0009982700000000, -0.0008204800000000 ] - [ 0.0000000000000000, 0.0002521500000000, -0.0008998900000000 ] - [ 0.0000000000000000, -0.0009187500000000, -0.0007516300000000 ] - [ 0.0000000000000000, 0.0004923700000000, -0.0002407700000000 ] - [ 0.0000000000000000, 0.0000101700000000, -0.0009302100000000 ] - [ 0.0000000000000000, 0.0001650300000000, -0.0016794300000000 ] - [ 0.0000000000000000, -0.0005789700000000, -0.0017166400000000 ] - [ 0.0000000000000000, 0.0008430600000000, -0.0002248000000000 ] - [ 0.0000000000000000, -0.0003470300000000, -0.0012289300000000 ] - [ 0.0000000000000000, -0.0003303700000000, -0.0010943000000000 ] - [ 0.0000000000000000, 0.0002050400000000, -0.0000937100000000 ] - [ 0.0000000000000000, -0.0002345200000000, -0.0001930000000000 ] - [ 0.0000000000000000, 0.0004981400000000, -0.0013243500000000 ] - [ 0.0000000000000000, -0.0054037200000000, 0.0019408900000000 ] - [ 0.0000000000000000, 0.0016949800000000, 0.0006176000000000 ] - [ 0.0000000000000000, -0.0102259100000000, -0.0016175000000000 ] - [ 0.0000000000000000, -0.0072258300000000, 0.0086366800000000 ] - [ 0.0000000000000000, 0.0130411400000000, 0.0092207200000000 ] - [ 0.0000000000000000, -0.0111098000000000, 0.0031376600000000 ] - [ 0.0008088800000000, -0.0048364800000000, -0.0028218000000000 ] - [ -0.0126782200000000, -0.0078087600000000, 0.0175507700000000 ] - [ 0.0126782200000000, -0.0078087600000000, 0.0175507700000000 ] - [ -0.0008088800000000, -0.0048364800000000, -0.0028218000000000 ] - [ -0.0006434500000000, 0.0002960700000000, 0.0011338600000000 ] - [ 0.0001765600000000, 0.0004695600000000, 0.0001737200000000 ] - [ -0.0001765600000000, 0.0004695600000000, 0.0001737200000000 ] - [ 0.0006434500000000, 0.0002960700000000, 0.0011338600000000 ] - [ 0.0000000000000000, -0.0054688500000000, 0.0111469900000000 ] - [ 0.0000000000000000, -0.0002582800000000, 0.0031993200000000 ] - [ 0.0000000000000000, 0.0032921900000000, -0.0012225700000000 ] - [ 0.0000000000000000, -0.0040204200000000, -0.0029155600000000 ] - [ 0.0000000000000000, 0.0575301600000000, 0.0623550800000000 ] - [ 0.0000000000000000, -0.0064723500000000, 0.0040809700000000 ] - [ 0.0000000000000000, -0.0023357300000000, -0.0031668200000000 ] - [ 0.0000000000000000, -0.0220535300000000, -0.0011782500000000 ] - [ 0.0000000000000000, 0.2685731000000000, 0.0072993400000000 ] - [ 0.0000000000000000, -0.0086975800000000, -0.0026406000000000 ] - [ 0.0678536400000000, 0.0552670900000000, -0.0384270900000000 ] - [ 0.0014106700000000, -0.0033679500000000, 0.0002850100000000 ] - [ -0.0067110300000000, 0.0045756900000000, -0.0072866700000000 ] - [ -0.0039332900000000, -0.0069550200000000, -0.0025997200000000 ] - [ 0.0067110300000000, 0.0045756900000000, -0.0072866700000000 ] - [ 0.0039332900000000, -0.0069550200000000, -0.0025997200000000 ] - [ -0.0678536400000000, 0.0552670900000000, -0.0384270900000000 ] - [ -0.0014106700000000, -0.0033679500000000, 0.0002850100000000 ] - [ 0.0000000000000000, 0.0006928600000000, 0.0008728300000000 ] - [ 0.0000000000000000, -0.0020636200000000, 0.0003254300000000 ] - [ 0.0000000000000000, 0.0005128400000000, 0.0003254400000000 ] - [ 0.0000000000000000, -0.0001806900000000, 0.0008695300000000 ] - [ 0.0000000000000000, -0.0005197100000000, 0.0003779000000000 ] - [ 0.0000000000000000, -0.0002035000000000, 0.0001450900000000 ] - [ -0.0003348100000000, 0.0000865300000000, 0.0002084800000000 ] - [ -0.0000990500000000, -0.0001051000000000, 0.0004879600000000 ] - [ 0.0000990500000000, -0.0001051000000000, 0.0004879600000000 ] - [ 0.0003348100000000, 0.0000865300000000, 0.0002084800000000 ] - [ -0.0016163200000000, -0.0006037100000000, 0.0030762600000000 ] - [ 0.0001480700000000, -0.0016584400000000, -0.0000299400000000 ] - [ -0.0001480700000000, -0.0016584400000000, -0.0000299400000000 ] - [ 0.0016163200000000, -0.0006037100000000, 0.0030762600000000 ] - [ 0.0000000000000000, -0.0003305400000000, 0.0012242400000000 ] - [ 0.0000000000000000, 0.0008208000000000, 0.0022526600000000 ] - [ 0.0000000000000000, -0.0008551800000000, 0.0006535100000000 ] - [ 0.0000000000000000, 0.0003918500000000, 0.0007373800000000 ] - [ 0.0000000000000000, -0.0000011100000000, 0.0004571400000000 ] - [ 0.0000000000000000, -0.0000314000000000, 0.0006697700000000 ] - [ 0.0000000000000000, -0.0000029600000000, -0.0001802800000000 ] - [ 0.0000000000000000, 0.0002225300000000, 0.0004961200000000 ] - [ 0.0000000000000000, -0.0004915700000000, 0.0005521300000000 ] - [ 0.0000000000000000, 0.0004571800000000, -0.0000181400000000 ] - [ -0.0003471100000000, -0.0001959400000000, 0.0003819500000000 ] - [ -0.0002844700000000, 0.0004373300000000, 0.0006185400000000 ] - [ 0.0001088300000000, -0.0003091700000000, 0.0002299300000000 ] - [ 0.0003194600000000, 0.0001662600000000, 0.0003012400000000 ] - [ -0.0001088300000000, -0.0003091700000000, 0.0002299300000000 ] - [ -0.0003194600000000, 0.0001662600000000, 0.0003012400000000 ] - [ 0.0003471100000000, -0.0001959400000000, 0.0003819500000000 ] - [ 0.0002844700000000, 0.0004373300000000, 0.0006185400000000 ]- atom: 5 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0000000000000000, -0.0058995400000000, 0.0086873000000000 ] - [ 0.0000000000000000, 0.0011808600000000, 0.0033509300000000 ] - [ 0.0000000000000000, 0.0029479600000000, 0.0004358500000000 ] - [ 0.0000000000000000, -0.0068698700000000, -0.0010312800000000 ] - [ 0.0000000000000000, 0.4708130200000000, -0.0168212700000000 ] - [ 0.0000000000000000, -0.0109289200000000, 0.0023328800000000 ] - [ 0.0000000000000000, -0.0057113200000000, -0.0256631500000000 ] - [ 0.0000000000000000, -0.0200864500000000, -0.0015932400000000 ] - [ 0.0000000000000000, -0.0210490900000000, 0.0192543800000000 ] - [ 0.0000000000000000, -0.0084859500000000, 0.0053645100000000 ] - [ 0.0000000000000000, 0.0183685900000000, 0.0002374200000000 ] - [ 0.0000000000000000, -0.0139203000000000, -0.0028801400000000 ] - [ 0.0000000000000000, -0.0106996200000000, -0.0085327400000000 ] - [ 0.0000000000000000, -0.0644343700000000, 0.0314350200000000 ] - [ 0.0000000000000000, -0.0174687500000000, -0.0020021800000000 ] - [ 0.0000000000000000, 0.0051141900000000, 0.0245274500000000 ] - [ 0.0000000000000000, 0.0002421200000000, 0.0017936500000000 ] - [ 0.0000000000000000, -0.0008682700000000, 0.0046454600000000 ] - [ 0.0000000000000000, -0.0026278100000000, 0.0005771900000000 ] - [ 0.0000000000000000, 0.0009836000000000, 0.0005394500000000 ] - [ 0.0000000000000000, -0.0006219800000000, 0.0005056900000000 ] - [ 0.0000000000000000, 0.0005461800000000, 0.0011383000000000 ] - [ 0.0000000000000000, -0.0001219700000000, 0.0006306300000000 ] - [ 0.0000000000000000, 0.0003612000000000, 0.0005359000000000 ] - [ 0.0000000000000000, -0.0002717700000000, 0.0007546800000000 ] - [ 0.0000000000000000, 0.0004728600000000, 0.0026286700000000 ] - [ 0.0000000000000000, -0.0007350200000000, 0.0011453300000000 ] - [ 0.0000000000000000, 0.0004531100000000, 0.0003072200000000 ] - [ 0.0000000000000000, 0.0003286900000000, -0.0001829000000000 ] - [ 0.0000000000000000, -0.0002040000000000, 0.0013658000000000 ] - [ 0.0000000000000000, 0.0002332500000000, 0.0010444800000000 ] - [ 0.0000000000000000, -0.0004954100000000, 0.0004670100000000 ] - [ 0.0000000000000000, 0.0053788900000000, -0.0010430700000000 ] - [ 0.0000000000000000, -0.0016847600000000, -0.0015180600000000 ] - [ 0.0000000000000000, 0.0106663400000000, 0.0013490100000000 ] - [ 0.0000000000000000, 0.0077450600000000, -0.0083820200000000 ] - [ 0.0000000000000000, -0.0135170100000000, -0.0089636100000000 ] - [ 0.0000000000000000, 0.0105912600000000, -0.0033845500000000 ] - [ -0.0011110500000000, 0.0048481300000000, 0.0026801800000000 ] - [ 0.0129423800000000, 0.0077699600000000, -0.0173454700000000 ] - [ -0.0129423800000000, 0.0077699600000000, -0.0173454700000000 ] - [ 0.0011110500000000, 0.0048481300000000, 0.0026801800000000 ] - [ 0.0006417100000000, -0.0000066400000000, -0.0011176100000000 ] - [ -0.0001767000000000, -0.0007547300000000, -0.0001873000000000 ] - [ 0.0001767000000000, -0.0007547300000000, -0.0001873000000000 ] - [ -0.0006417100000000, -0.0000066400000000, -0.0011176100000000 ] - [ 0.0000000000000000, 0.0054324100000000, -0.0109174600000000 ] - [ 0.0000000000000000, 0.0002976100000000, -0.0033336000000000 ] - [ 0.0000000000000000, -0.0033148300000000, 0.0010491500000000 ] - [ 0.0000000000000000, 0.0039773300000000, 0.0030464000000000 ] - [ 0.0000000000000000, -0.0570844700000000, -0.0631567300000000 ] - [ 0.0000000000000000, 0.0064746500000000, -0.0040848600000000 ] - [ 0.0000000000000000, 0.0024875000000000, 0.0026712600000000 ] - [ 0.0000000000000000, 0.0222891900000000, 0.0016926900000000 ] - [ 0.0000000000000000, -0.2508957900000000, -0.0064236000000000 ] - [ 0.0000000000000000, 0.0085033700000000, 0.0021297900000000 ] - [ -0.0684169300000000, -0.0544649500000000, 0.0386644000000000 ] - [ -0.0011855800000000, 0.0034087700000000, -0.0002685900000000 ] - [ 0.0064524500000000, -0.0046174800000000, 0.0072531900000000 ] - [ 0.0041585200000000, 0.0069131700000000, 0.0025840600000000 ] - [ -0.0064524500000000, -0.0046174800000000, 0.0072531900000000 ] - [ -0.0041585200000000, 0.0069131700000000, 0.0025840600000000 ] - [ 0.0684169300000000, -0.0544649500000000, 0.0386644000000000 ] - [ 0.0011855800000000, 0.0034087700000000, -0.0002685900000000 ] - [ 0.0000000000000000, -0.0006890200000000, 0.0000310900000000 ] - [ 0.0000000000000000, 0.0020532600000000, -0.0012270600000000 ] - [ 0.0000000000000000, 0.0000104600000000, -0.0005575400000000 ] - [ 0.0000000000000000, 0.0007040400000000, -0.0006324100000000 ] - [ 0.0000000000000000, -0.0000031800000000, -0.0001436600000000 ] - [ 0.0000000000000000, -0.0003223600000000, -0.0003785200000000 ] - [ 0.0000233300000000, -0.0000861800000000, -0.0003592900000000 ] - [ 0.0004086900000000, 0.0001046200000000, -0.0003343500000000 ] - [ -0.0004086900000000, 0.0001046200000000, -0.0003343500000000 ] - [ -0.0000233300000000, -0.0000861800000000, -0.0003592900000000 ] - [ 0.0016111000000000, 0.0008834200000000, -0.0030545200000000 ] - [ -0.0001494700000000, 0.0013669000000000, 0.0000133700000000 ] - [ 0.0001494700000000, 0.0013669000000000, 0.0000133700000000 ] - [ -0.0016111000000000, 0.0008834200000000, -0.0030545200000000 ] - [ 0.0000000000000000, 0.0003648600000000, -0.0010600600000000 ] - [ 0.0000000000000000, -0.0007853500000000, -0.0023936900000000 ] - [ 0.0000000000000000, 0.0008185900000000, -0.0008144300000000 ] - [ 0.0000000000000000, -0.0004261000000000, -0.0005882200000000 ] - [ 0.0000000000000000, 0.0000015500000000, -0.0004553600000000 ] - [ 0.0000000000000000, 0.0000308600000000, -0.0006666200000000 ] - [ 0.0000000000000000, 0.0002009000000000, -0.0003357100000000 ] - [ 0.0000000000000000, -0.0000252400000000, 0.0000214600000000 ] - [ 0.0000000000000000, 0.0002930500000000, -0.0000350300000000 ] - [ 0.0000000000000000, -0.0006524600000000, -0.0004973200000000 ] - [ 0.0001200400000000, 0.0002365300000000, -0.0003936300000000 ] - [ 0.0005096700000000, -0.0003958300000000, -0.0006038600000000 ] - [ -0.0003350200000000, 0.0002682400000000, -0.0002164900000000 ] - [ -0.0000924700000000, -0.0002068500000000, -0.0003120800000000 ] - [ 0.0003350200000000, 0.0002682400000000, -0.0002164900000000 ] - [ 0.0000924700000000, -0.0002068500000000, -0.0003120800000000 ] - [ -0.0001200400000000, 0.0002365300000000, -0.0003936300000000 ] - [ -0.0005096700000000, -0.0003958300000000, -0.0006038600000000 ]- atom: 5 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0000000000000000, -0.0106999700000000, 0.0096857400000000 ] - [ 0.0000000000000000, -0.0027728500000000, 0.0025456000000000 ] - [ 0.0000000000000000, -0.0049411500000000, 0.0081071500000000 ] - [ 0.0000000000000000, -0.0065495500000000, -0.0015080600000000 ] - [ 0.0000000000000000, 0.0214227300000000, -0.4622665600000000 ] - [ 0.0000000000000000, 0.0019566100000000, -0.0048504600000000 ] - [ 0.0000000000000000, 0.0258492700000000, 0.0532466900000000 ] - [ 0.0000000000000000, -0.0012256300000000, -0.0081483500000000 ] - [ 0.0000000000000000, -0.0363945600000000, 0.0117670500000000 ] - [ 0.0000000000000000, -0.0024178900000000, 0.0001683900000000 ] - [ 0.0000000000000000, -0.0139891300000000, 0.0107985300000000 ] - [ 0.0000000000000000, -0.0025285600000000, -0.0066677700000000 ] - [ 0.0000000000000000, 0.0177235900000000, -0.0171085300000000 ] - [ 0.0000000000000000, -0.0088686300000000, -0.0131237700000000 ] - [ 0.0000000000000000, -0.0125860600000000, -0.0240354500000000 ] - [ 0.0000000000000000, -0.0112690200000000, -0.0078358800000000 ] - [ 0.0000000000000000, -0.0017966500000000, 0.0038077100000000 ] - [ 0.0000000000000000, -0.0022203400000000, 0.0080437300000000 ] - [ 0.0000000000000000, -0.0032349800000000, 0.0022630400000000 ] - [ 0.0000000000000000, -0.0003574200000000, 0.0062759600000000 ] - [ 0.0000000000000000, -0.0008891400000000, 0.0035512000000000 ] - [ 0.0000000000000000, 0.0007597100000000, 0.0049313900000000 ] - [ 0.0000000000000000, -0.0002493200000000, 0.0037706500000000 ] - [ 0.0000000000000000, 0.0009184600000000, 0.0043541900000000 ] - [ 0.0000000000000000, -0.0006914300000000, 0.0040204400000000 ] - [ 0.0000000000000000, 0.0003117600000000, 0.0066188900000000 ] - [ 0.0000000000000000, -0.0007112100000000, 0.0042277800000000 ] - [ 0.0000000000000000, 0.0006608500000000, 0.0050965300000000 ] - [ 0.0000000000000000, 0.0004339400000000, 0.0029916100000000 ] - [ 0.0000000000000000, 0.0000384000000000, 0.0042264000000000 ] - [ 0.0000000000000000, -0.0001925300000000, 0.0044080700000000 ] - [ 0.0000000000000000, -0.0007088200000000, 0.0035110100000000 ] - [ 0.0000000000000000, 0.0068218400000000, -0.0002791600000000 ] - [ 0.0000000000000000, 0.0031488500000000, -0.0020151800000000 ] - [ 0.0000000000000000, 0.0284876200000000, 0.0139577900000000 ] - [ 0.0000000000000000, 0.0032607200000000, 0.0004482000000000 ] - [ 0.0000000000000000, 0.0094527700000000, 0.0025548500000000 ] - [ 0.0000000000000000, 0.0020041100000000, 0.0042322900000000 ] - [ -0.0070166500000000, -0.0014127300000000, 0.0102941600000000 ] - [ -0.0039973700000000, 0.0021996200000000, 0.0075316500000000 ] - [ 0.0039973700000000, 0.0021996200000000, 0.0075316500000000 ] - [ 0.0070166500000000, -0.0014127300000000, 0.0102941600000000 ] - [ 0.0009919400000000, 0.0007961700000000, -0.0015766000000000 ] - [ -0.0018751000000000, 0.0006052600000000, -0.0033927800000000 ] - [ 0.0018751000000000, 0.0006052600000000, -0.0033927800000000 ] - [ -0.0009919400000000, 0.0007961700000000, -0.0015766000000000 ] - [ 0.0000000000000000, 0.0083110600000000, -0.0095516600000000 ] - [ 0.0000000000000000, 0.0006119800000000, -0.0003406300000000 ] - [ 0.0000000000000000, 0.0048431800000000, -0.0085458800000000 ] - [ 0.0000000000000000, 0.0022653700000000, 0.0043289700000000 ] - [ 0.0000000000000000, 0.0626223600000000, 0.2111904000000000 ] - [ 0.0000000000000000, -0.0014061600000000, 0.0057391400000000 ] - [ 0.0000000000000000, -0.0221076200000000, -0.0019958100000000 ] - [ 0.0000000000000000, 0.0021923000000000, 0.0044085800000000 ] - [ 0.0000000000000000, -0.0000018600000000, 0.0352268600000000 ] - [ 0.0000000000000000, -0.0036353300000000, 0.0022524600000000 ] - [ -0.1047752400000000, -0.0374399900000000, 0.0885842000000000 ] - [ -0.0006053900000000, 0.0003681600000000, 0.0010857600000000 ] - [ -0.0082894400000000, 0.0019648500000000, -0.0119557000000000 ] - [ 0.0020188200000000, 0.0013689500000000, 0.0029537400000000 ] - [ 0.0082894400000000, 0.0019648500000000, -0.0119557000000000 ] - [ -0.0020188200000000, 0.0013689500000000, 0.0029537400000000 ] - [ 0.1047752400000000, -0.0374399900000000, 0.0885842000000000 ] - [ 0.0006053900000000, 0.0003681600000000, 0.0010857600000000 ] - [ 0.0000000000000000, 0.0012341400000000, -0.0012822900000000 ] - [ 0.0000000000000000, 0.0029565800000000, -0.0021126900000000 ] - [ 0.0000000000000000, -0.0005230900000000, -0.0020180200000000 ] - [ 0.0000000000000000, 0.0017258100000000, -0.0022884600000000 ] - [ 0.0000000000000000, -0.0006902100000000, -0.0015298900000000 ] - [ 0.0000000000000000, 0.0008369300000000, -0.0023114600000000 ] - [ 0.0010200000000000, -0.0000403700000000, -0.0020058400000000 ] - [ 0.0013197700000000, 0.0000978500000000, -0.0018356600000000 ] - [ -0.0013197700000000, 0.0000978500000000, -0.0018356600000000 ] - [ -0.0010200000000000, -0.0000403700000000, -0.0020058400000000 ] - [ 0.0020263800000000, 0.0021099400000000, -0.0041923800000000 ] - [ -0.0003423400000000, 0.0012389300000000, -0.0003591700000000 ] - [ 0.0003423400000000, 0.0012389300000000, -0.0003591700000000 ] - [ -0.0020263800000000, 0.0021099400000000, -0.0041923800000000 ] - [ 0.0000000000000000, 0.0012743000000000, -0.0034620200000000 ] - [ 0.0000000000000000, -0.0010433700000000, -0.0052073800000000 ] - [ 0.0000000000000000, 0.0012425400000000, -0.0028760900000000 ] - [ 0.0000000000000000, -0.0012627600000000, -0.0045199800000000 ] - [ 0.0000000000000000, -0.0005486400000000, -0.0029859500000000 ] - [ 0.0000000000000000, 0.0006683700000000, -0.0037428400000000 ] - [ 0.0000000000000000, 0.0006739000000000, -0.0015916300000000 ] - [ 0.0000000000000000, -0.0008161800000000, -0.0012621100000000 ] - [ 0.0000000000000000, 0.0007461700000000, -0.0011439900000000 ] - [ 0.0000000000000000, -0.0012675600000000, -0.0018770400000000 ] - [ 0.0007896600000000, 0.0006324900000000, -0.0016430400000000 ] - [ 0.0012465200000000, -0.0007123500000000, -0.0021555100000000 ] - [ -0.0009369100000000, 0.0005237300000000, -0.0014576500000000 ] - [ -0.0009669100000000, -0.0007298400000000, -0.0020113200000000 ] - [ 0.0009369100000000, 0.0005237300000000, -0.0014576500000000 ] - [ 0.0009669100000000, -0.0007298400000000, -0.0020113200000000 ] - [ -0.0007896600000000, 0.0006324900000000, -0.0016430400000000 ] - [ -0.0012465200000000, -0.0007123500000000, -0.0021555100000000 ]- atom: 5 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0106760200000000, -0.0099689000000000 ] - [ 0.0000000000000000, 0.0027923800000000, -0.0022533000000000 ] - [ 0.0000000000000000, 0.0049383500000000, -0.0078264800000000 ] - [ 0.0000000000000000, 0.0065228100000000, 0.0012076000000000 ] - [ 0.0000000000000000, -0.0117347000000000, 0.4753347900000000 ] - [ 0.0000000000000000, -0.0023235300000000, 0.0052521000000000 ] - [ 0.0000000000000000, -0.0257542700000000, -0.0532121500000000 ] - [ 0.0000000000000000, 0.0015761400000000, 0.0077515600000000 ] - [ 0.0000000000000000, 0.0361206500000000, -0.0128799400000000 ] - [ 0.0000000000000000, 0.0023139200000000, 0.0007663300000000 ] - [ 0.0000000000000000, 0.0141234700000000, -0.0098951400000000 ] - [ 0.0000000000000000, 0.0026374700000000, 0.0057201500000000 ] - [ 0.0000000000000000, -0.0177292900000000, 0.0158647300000000 ] - [ 0.0000000000000000, 0.0088576000000000, 0.0144680700000000 ] - [ 0.0000000000000000, 0.0126194800000000, 0.0248919100000000 ] - [ 0.0000000000000000, 0.0112964400000000, 0.0070258200000000 ] - [ 0.0000000000000000, 0.0018094300000000, -0.0040815000000000 ] - [ 0.0000000000000000, 0.0022167700000000, -0.0077496400000000 ] - [ 0.0000000000000000, 0.0032152400000000, -0.0019897400000000 ] - [ 0.0000000000000000, 0.0003496500000000, -0.0065537100000000 ] - [ 0.0000000000000000, 0.0005166600000000, -0.0039384000000000 ] - [ 0.0000000000000000, -0.0011293900000000, -0.0045339000000000 ] - [ 0.0000000000000000, 0.0006217500000000, -0.0033768600000000 ] - [ 0.0000000000000000, -0.0005474000000000, -0.0047404400000000 ] - [ 0.0000000000000000, 0.0005850800000000, -0.0049343500000000 ] - [ 0.0000000000000000, -0.0004198700000000, -0.0056900700000000 ] - [ 0.0000000000000000, 0.0008171400000000, -0.0033078800000000 ] - [ 0.0000000000000000, -0.0005532000000000, -0.0060114800000000 ] - [ 0.0000000000000000, -0.0004314300000000, -0.0042620100000000 ] - [ 0.0000000000000000, -0.0000396400000000, -0.0029482000000000 ] - [ 0.0000000000000000, 0.0001936800000000, -0.0035494600000000 ] - [ 0.0000000000000000, 0.0007055500000000, -0.0043618100000000 ] - [ 0.0000000000000000, -0.0068048200000000, 0.0011891400000000 ] - [ 0.0000000000000000, -0.0031551800000000, 0.0011103000000000 ] - [ 0.0000000000000000, -0.0280261200000000, -0.0141820700000000 ] - [ 0.0000000000000000, -0.0027325400000000, -0.0002262500000000 ] - [ 0.0000000000000000, -0.0100041000000000, -0.0023342100000000 ] - [ 0.0000000000000000, -0.0025490500000000, -0.0044541300000000 ] - [ 0.0067116600000000, 0.0014054900000000, -0.0104588200000000 ] - [ 0.0043380900000000, -0.0021894700000000, -0.0074370600000000 ] - [ -0.0043380900000000, -0.0021894700000000, -0.0074370600000000 ] - [ -0.0067116600000000, 0.0014054900000000, -0.0104588200000000 ] - [ -0.0009889500000000, -0.0005101600000000, 0.0015841600000000 ] - [ 0.0018747100000000, -0.0008944800000000, 0.0033795800000000 ] - [ -0.0018747100000000, -0.0008944800000000, 0.0033795800000000 ] - [ 0.0009889500000000, -0.0005101600000000, 0.0015841600000000 ] - [ 0.0000000000000000, -0.0082501100000000, 0.0097589000000000 ] - [ 0.0000000000000000, -0.0005816300000000, 0.0001807500000000 ] - [ 0.0000000000000000, -0.0048840900000000, 0.0083886500000000 ] - [ 0.0000000000000000, -0.0022940600000000, -0.0041597100000000 ] - [ 0.0000000000000000, -0.0683900300000000, -0.2249904600000000 ] - [ 0.0000000000000000, 0.0014101600000000, -0.0057448800000000 ] - [ 0.0000000000000000, 0.0222981900000000, 0.0014555100000000 ] - [ 0.0000000000000000, -0.0019405200000000, -0.0038859000000000 ] - [ 0.0000000000000000, -0.0019118200000000, -0.0347043400000000 ] - [ 0.0000000000000000, 0.0034316000000000, -0.0027770100000000 ] - [ 0.1017715900000000, 0.0363874100000000, -0.0881683100000000 ] - [ 0.0008349600000000, -0.0003298000000000, -0.0010792400000000 ] - [ 0.0080645000000000, -0.0019874800000000, 0.0119774400000000 ] - [ -0.0017875500000000, -0.0014051100000000, -0.0029572900000000 ] - [ -0.0080645000000000, -0.0019874800000000, 0.0119774400000000 ] - [ 0.0017875500000000, -0.0014051100000000, -0.0029572900000000 ] - [ -0.1017715900000000, 0.0363874100000000, -0.0881683100000000 ] - [ -0.0008349600000000, -0.0003298000000000, -0.0010792400000000 ] - [ 0.0000000000000000, -0.0012367100000000, 0.0021831800000000 ] - [ 0.0000000000000000, -0.0029462700000000, 0.0012095500000000 ] - [ 0.0000000000000000, 0.0010427600000000, 0.0017816300000000 ] - [ 0.0000000000000000, -0.0011965600000000, 0.0025189700000000 ] - [ 0.0000000000000000, 0.0001698100000000, 0.0017633400000000 ] - [ 0.0000000000000000, -0.0013624200000000, 0.0020754400000000 ] - [ -0.0013291800000000, 0.0000396900000000, 0.0018517200000000 ] - [ -0.0010083000000000, -0.0000971500000000, 0.0019857000000000 ] - [ 0.0010083000000000, -0.0000971500000000, 0.0019857000000000 ] - [ 0.0013291800000000, 0.0000396900000000, 0.0018517200000000 ] - [ -0.0020280600000000, -0.0018127000000000, 0.0042013400000000 ] - [ 0.0003465100000000, -0.0015231700000000, 0.0003535000000000 ] - [ -0.0003465100000000, -0.0015231700000000, 0.0003535000000000 ] - [ 0.0020280600000000, -0.0018127000000000, 0.0042013400000000 ] - [ 0.0000000000000000, -0.0012379600000000, 0.0036164900000000 ] - [ 0.0000000000000000, 0.0010797500000000, 0.0050528700000000 ] - [ 0.0000000000000000, -0.0012772700000000, 0.0027180700000000 ] - [ 0.0000000000000000, 0.0012259800000000, 0.0046642600000000 ] - [ 0.0000000000000000, 0.0005480300000000, 0.0029831100000000 ] - [ 0.0000000000000000, -0.0006674200000000, 0.0037383300000000 ] - [ 0.0000000000000000, -0.0004776000000000, 0.0010737900000000 ] - [ 0.0000000000000000, 0.0010134000000000, 0.0017774900000000 ] - [ 0.0000000000000000, -0.0009417900000000, 0.0016582200000000 ] - [ 0.0000000000000000, 0.0010683600000000, 0.0013573000000000 ] - [ -0.0010149500000000, -0.0005908700000000, 0.0016280000000000 ] - [ -0.0010188200000000, 0.0007525100000000, 0.0021644300000000 ] - [ 0.0007102300000000, -0.0005645400000000, 0.0014701000000000 ] - [ 0.0011922800000000, 0.0006883800000000, 0.0019977500000000 ] - [ -0.0007102300000000, -0.0005645400000000, 0.0014701000000000 ] - [ -0.0011922800000000, 0.0006883800000000, 0.0019977500000000 ] - [ 0.0010149500000000, -0.0005908700000000, 0.0016280000000000 ] - [ 0.0010188200000000, 0.0007525100000000, 0.0021644300000000 ]- atom: 9 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0000292300000000, -0.0000101400000000, -0.0001526600000000 ] - [ 0.0000001800000000, 0.0000060100000000, 0.0001415300000000 ] - [ -0.0000049200000000, -0.0000044100000000, 0.0001408900000000 ] - [ -0.0000798000000000, -0.0000026600000000, -0.0001426400000000 ] - [ 0.1122080300000000, 0.0001147200000000, -0.0003820000000000 ] - [ 0.0000122100000000, -0.0001854600000000, 0.0001968700000000 ] - [ -0.0003932200000000, 0.0001762500000000, 0.0001742900000000 ] - [ 0.0000813600000000, 0.0001846700000000, -0.0001956700000000 ] - [ -0.4553657100000000, -0.0080954400000000, 0.0041454900000000 ] - [ -0.0000076600000000, -0.0000532200000000, 0.0004612200000000 ] - [ 0.0001225500000000, 0.0000567100000000, 0.0004600100000000 ] - [ -0.0001557900000000, 0.0000561300000000, -0.0004632900000000 ] - [ 0.0001902300000000, -0.0000076500000000, -0.0006367700000000 ] - [ -0.0002685900000000, 0.0000014200000000, 0.0006390400000000 ] - [ 0.0013549100000000, -0.0000066500000000, 0.0004079500000000 ] - [ -0.0001728800000000, 0.0000017700000000, -0.0004238900000000 ] - [ 0.0000000700000000, 0.0000055100000000, -0.0001404600000000 ] - [ -0.0003899500000000, 0.0000025200000000, 0.0001458900000000 ] - [ 0.0000168600000000, -0.0000065700000000, 0.0001400300000000 ] - [ 0.0000010300000000, -0.0000048700000000, -0.0001405100000000 ] - [ -0.0000001000000000, -0.0001857200000000, -0.0001957400000000 ] - [ -0.0000047700000000, -0.0001854900000000, 0.0001961400000000 ] - [ -0.0000002100000000, 0.0001858300000000, 0.0001959300000000 ] - [ 0.0000000500000000, 0.0001855800000000, -0.0001956100000000 ] - [ 0.0000000600000000, -0.0000531700000000, -0.0004597300000000 ] - [ 0.0000112400000000, -0.0000534000000000, 0.0004604600000000 ] - [ 0.0000002200000000, 0.0000533100000000, 0.0004597200000000 ] - [ -0.0000000900000000, 0.0000534500000000, -0.0004596700000000 ] - [ -0.0000003900000000, 0.0000003200000000, -0.0006369900000000 ] - [ -0.0000000600000000, -0.0000001800000000, 0.0006373700000000 ] - [ 0.0000000300000000, 0.0000000200000000, 0.0004271300000000 ] - [ -0.0000005100000000, -0.0000003500000000, -0.0004269900000000 ] - [ 0.0002579400000000, -0.0000194200000000, 0.0004585900000000 ] - [ 0.0000006600000000, -0.0000006200000000, -0.0004512900000000 ] - [ 0.0235917900000000, 0.0011799600000000, 0.0002923200000000 ] - [ -0.0000132800000000, 0.0002633300000000, 0.0001161400000000 ] - [ 0.0000500400000000, -0.0002633100000000, 0.0001155100000000 ] - [ -0.0003942100000000, -0.0002814900000000, -0.0001154300000000 ] - [ 0.0009490600000000, -0.0003117800000000, -0.0015422100000000 ] - [ -0.0001174300000000, -0.0000249800000000, 0.0004250900000000 ] - [ -0.0004324400000000, 0.0000262500000000, -0.0002788600000000 ] - [ 0.0012279200000000, 0.0003016300000000, 0.0013722700000000 ] - [ 0.0000005300000000, 0.0001437200000000, 0.0000056100000000 ] - [ -0.0000011100000000, -0.0001437900000000, -0.0000081200000000 ] - [ -0.0000014300000000, -0.0001445300000000, -0.0000040700000000 ] - [ -0.0000003900000000, 0.0001437800000000, 0.0000057200000000 ] - [ 0.0247090700000000, 0.0002065800000000, -0.0008066200000000 ] - [ 0.0000009700000000, 0.0000174100000000, -0.0000752400000000 ] - [ -0.0000366800000000, -0.0000186400000000, -0.0000797200000000 ] - [ 0.0000437400000000, -0.0000187100000000, 0.0000757600000000 ] - [ -0.0143546900000000, -0.0000113700000000, 0.0000024500000000 ] - [ -0.0000108600000000, 0.0000004200000000, -0.0000007600000000 ] - [ -0.0000473600000000, 0.0001030800000000, -0.0002580600000000 ] - [ 0.0000646800000000, 0.0001020100000000, 0.0002591900000000 ] - [ -0.0140967100000000, -0.0000473100000000, 0.0002451800000000 ] - [ 0.0000944700000000, -0.0000987400000000, -0.0002603200000000 ] - [ 0.1641180600000000, 0.0965278800000000, -0.0507859500000000 ] - [ 0.0001157400000000, 0.0000166200000000, 0.0000043500000000 ] - [ -0.0004699800000000, 0.0000017500000000, -0.0004730400000000 ] - [ 0.0000966400000000, -0.0000465200000000, -0.0000010700000000 ] - [ -0.0002474400000000, -0.0000440200000000, 0.0004900600000000 ] - [ -0.0001282000000000, 0.0000040800000000, -0.0000094500000000 ] - [ 0.1553041300000000, -0.0898141400000000, 0.0468838200000000 ] - [ -0.0001111200000000, 0.0000244300000000, 0.0000065900000000 ] - [ -0.0000003300000000, -0.0000003700000000, 0.0004509000000000 ] - [ 0.0001456700000000, 0.0000005900000000, -0.0004506800000000 ] - [ 0.0000005900000000, 0.0002606900000000, -0.0001172200000000 ] - [ -0.0000009800000000, 0.0002632700000000, 0.0001169900000000 ] - [ -0.0000006400000000, -0.0002606100000000, 0.0001172300000000 ] - [ 0.0000005900000000, -0.0002630500000000, -0.0001172600000000 ] - [ -0.0001554100000000, -0.0000001600000000, -0.0000761600000000 ] - [ 0.0001554400000000, 0.0000002100000000, 0.0000761100000000 ] - [ -0.0001553600000000, 0.0000002300000000, 0.0000762800000000 ] - [ 0.0001552500000000, -0.0000001100000000, -0.0000763900000000 ] - [ 0.0011772400000000, 0.0007092000000000, -0.0016304400000000 ] - [ 0.0000177000000000, -0.0001596700000000, -0.0000022200000000 ] - [ 0.0000135300000000, -0.0001293500000000, -0.0000072700000000 ] - [ 0.0012023900000000, -0.0004236400000000, 0.0016551600000000 ] - [ 0.0000000500000000, 0.0000180100000000, 0.0000798100000000 ] - [ 0.0000956000000000, 0.0000183200000000, -0.0000742400000000 ] - [ -0.0000043300000000, -0.0000180200000000, -0.0000795500000000 ] - [ -0.0000001900000000, -0.0000180200000000, 0.0000740000000000 ] - [ -0.0000000400000000, 0.0000000000000000, -0.0000000600000000 ] - [ 0.0000007900000000, 0.0000000500000000, -0.0000001500000000 ] - [ -0.0000001500000000, 0.0000985000000000, -0.0002585500000000 ] - [ 0.0000002300000000, 0.0000988000000000, 0.0002585700000000 ] - [ 0.0000002600000000, -0.0000984700000000, 0.0002582300000000 ] - [ 0.0000006000000000, -0.0000987600000000, -0.0002587900000000 ] - [ -0.0001131500000000, 0.0000207600000000, -0.0000065700000000 ] - [ 0.0001162900000000, 0.0000189600000000, 0.0000004100000000 ] - [ -0.0001132600000000, -0.0000205800000000, 0.0000065000000000 ] - [ 0.0001131500000000, -0.0000207300000000, -0.0000057900000000 ] - [ 0.0001130800000000, -0.0000207600000000, 0.0000065800000000 ] - [ -0.0001131600000000, -0.0000207000000000, -0.0000058900000000 ] - [ 0.0001131000000000, 0.0000207800000000, -0.0000064900000000 ] - [ -0.0001102300000000, 0.0000222300000000, 0.0000111800000000 ]- atom: 9 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0000000000000000, -0.0030044700000000, -0.0163580800000000 ] - [ 0.0000000000000000, 0.0016668400000000, -0.0002402500000000 ] - [ 0.0000000000000000, 0.0011269400000000, -0.0022395900000000 ] - [ 0.0000000000000000, 0.0049947600000000, -0.0051153900000000 ] - [ 0.0000000000000000, 0.0208464300000000, -0.0365366300000000 ] - [ 0.0000000000000000, 0.0082559300000000, 0.0025543700000000 ] - [ 0.0000000000000000, -0.0181516000000000, -0.0138449700000000 ] - [ 0.0000000000000000, 0.0141628800000000, 0.0023803000000000 ] - [ 0.0000000000000000, -0.4965301000000000, 0.0203965700000000 ] - [ 0.0000000000000000, 0.0068683300000000, 0.0005350500000000 ] - [ 0.0000000000000000, -0.0012882800000000, -0.0039379900000000 ] - [ 0.0000000000000000, 0.0170371000000000, -0.0044900800000000 ] - [ 0.0000000000000000, -0.0065647100000000, 0.0195940300000000 ] - [ 0.0000000000000000, 0.0192807000000000, -0.0065048900000000 ] - [ 0.0000000000000000, 0.0523206500000000, 0.0340044800000000 ] - [ 0.0000000000000000, 0.0050244500000000, -0.0083749800000000 ] - [ 0.0000000000000000, 0.0006921500000000, -0.0007762400000000 ] - [ 0.0000000000000000, -0.0027624100000000, -0.0024128800000000 ] - [ 0.0000000000000000, 0.0005531200000000, -0.0037098200000000 ] - [ 0.0000000000000000, 0.0001349200000000, -0.0016237500000000 ] - [ 0.0000000000000000, 0.0000336600000000, -0.0008341500000000 ] - [ 0.0000000000000000, -0.0007139000000000, -0.0001726100000000 ] - [ 0.0000000000000000, 0.0009747000000000, -0.0005676600000000 ] - [ 0.0000000000000000, -0.0002145400000000, -0.0008043100000000 ] - [ 0.0000000000000000, 0.0002987700000000, -0.0011470400000000 ] - [ 0.0000000000000000, -0.0011091400000000, -0.0006483200000000 ] - [ 0.0000000000000000, 0.0008110400000000, -0.0015039300000000 ] - [ 0.0000000000000000, -0.0001739500000000, -0.0014457400000000 ] - [ 0.0000000000000000, 0.0002538300000000, -0.0009047300000000 ] - [ 0.0000000000000000, -0.0001406600000000, -0.0000940000000000 ] - [ 0.0000000000000000, 0.0001600100000000, -0.0000232300000000 ] - [ 0.0000000000000000, -0.0003213000000000, -0.0013559900000000 ] - [ 0.0000000000000000, 0.0007926400000000, 0.0054799300000000 ] - [ 0.0000000000000000, -0.0011459300000000, 0.0001825600000000 ] - [ 0.0000000000000000, 0.2312413200000000, 0.0915847300000000 ] - [ 0.0000000000000000, -0.0054074300000000, 0.0035246800000000 ] - [ 0.0000000000000000, 0.0003382500000000, 0.0028362300000000 ] - [ 0.0000000000000000, -0.0196995300000000, 0.0032942100000000 ] - [ 0.0118387900000000, -0.0059118500000000, -0.0156457200000000 ] - [ -0.0019921200000000, -0.0038661800000000, 0.0040303000000000 ] - [ 0.0019921200000000, -0.0038661800000000, 0.0040303000000000 ] - [ -0.0118387900000000, -0.0059118500000000, -0.0156457200000000 ] - [ -0.0001810000000000, -0.0002273500000000, 0.0002435100000000 ] - [ 0.0004937000000000, -0.0002865700000000, 0.0008680100000000 ] - [ -0.0004937000000000, -0.0002865700000000, 0.0008680100000000 ] - [ 0.0001810000000000, -0.0002273500000000, 0.0002435100000000 ] - [ 0.0000000000000000, 0.0377421400000000, -0.0334016000000000 ] - [ 0.0000000000000000, -0.0013010400000000, -0.0003878500000000 ] - [ 0.0000000000000000, -0.0006195900000000, 0.0025513300000000 ] - [ 0.0000000000000000, -0.0028287500000000, 0.0021452400000000 ] - [ 0.0000000000000000, 0.0087957600000000, 0.0283586600000000 ] - [ 0.0000000000000000, -0.0040275200000000, 0.0001966600000000 ] - [ 0.0000000000000000, 0.0132260400000000, -0.0040593700000000 ] - [ 0.0000000000000000, -0.0116769900000000, -0.0010846400000000 ] - [ 0.0000000000000000, -0.0155554500000000, 0.0078181500000000 ] - [ 0.0000000000000000, -0.0061669000000000, -0.0054835500000000 ] - [ 0.1084870200000000, 0.0921414000000000, -0.0341291700000000 ] - [ 0.0019218000000000, -0.0030145000000000, -0.0012974400000000 ] - [ 0.0007769200000000, 0.0023920200000000, 0.0029849400000000 ] - [ -0.0034822000000000, -0.0063734600000000, -0.0013935100000000 ] - [ -0.0007769200000000, 0.0023920200000000, 0.0029849400000000 ] - [ 0.0034822000000000, -0.0063734600000000, -0.0013935100000000 ] - [ -0.1084870200000000, 0.0921414000000000, -0.0341291700000000 ] - [ -0.0019218000000000, -0.0030145000000000, -0.0012974400000000 ] - [ 0.0000000000000000, -0.0004655700000000, 0.0007935200000000 ] - [ 0.0000000000000000, 0.0007830300000000, 0.0005830500000000 ] - [ 0.0000000000000000, 0.0002104200000000, 0.0000965700000000 ] - [ 0.0000000000000000, 0.0004610600000000, 0.0004985800000000 ] - [ 0.0000000000000000, 0.0000019200000000, 0.0007998100000000 ] - [ 0.0000000000000000, -0.0004242800000000, 0.0002176200000000 ] - [ -0.0002848400000000, -0.0000632500000000, 0.0001232000000000 ] - [ -0.0001014600000000, 0.0000693300000000, 0.0004918900000000 ] - [ 0.0001014600000000, 0.0000693300000000, 0.0004918900000000 ] - [ 0.0002848400000000, -0.0000632500000000, 0.0001232000000000 ] - [ -0.0015172300000000, 0.0017970900000000, 0.0016904900000000 ] - [ 0.0014024500000000, -0.0011026900000000, 0.0020704600000000 ] - [ -0.0014024500000000, -0.0011026900000000, 0.0020704600000000 ] - [ 0.0015172300000000, 0.0017970900000000, 0.0016904900000000 ] - [ 0.0000000000000000, -0.0003157100000000, 0.0006720000000000 ] - [ 0.0000000000000000, 0.0012808500000000, 0.0014101800000000 ] - [ 0.0000000000000000, -0.0009957800000000, 0.0020634700000000 ] - [ 0.0000000000000000, 0.0002741600000000, 0.0009871300000000 ] - [ 0.0000000000000000, -0.0000147700000000, 0.0005495700000000 ] - [ 0.0000000000000000, 0.0000416000000000, 0.0003949400000000 ] - [ 0.0000000000000000, -0.0004323900000000, -0.0001157200000000 ] - [ 0.0000000000000000, 0.0004504600000000, 0.0005312900000000 ] - [ 0.0000000000000000, -0.0002662500000000, 0.0004937500000000 ] - [ 0.0000000000000000, 0.0001093100000000, -0.0002523800000000 ] - [ -0.0002993500000000, -0.0001548700000000, 0.0002692400000000 ] - [ -0.0001860300000000, 0.0004435700000000, 0.0002908800000000 ] - [ 0.0002777000000000, -0.0004808000000000, 0.0005427000000000 ] - [ 0.0003165900000000, 0.0001745100000000, 0.0003220700000000 ] - [ -0.0002777000000000, -0.0004808000000000, 0.0005427000000000 ] - [ -0.0003165900000000, 0.0001745100000000, 0.0003220700000000 ] - [ 0.0002993500000000, -0.0001548700000000, 0.0002692400000000 ] - [ 0.0001860300000000, 0.0004435700000000, 0.0002908800000000 ]- atom: 9 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0000000000000000, 0.0031491000000000, 0.0161175900000000 ] - [ 0.0000000000000000, -0.0016599800000000, 0.0005152700000000 ] - [ 0.0000000000000000, -0.0011442500000000, 0.0025226300000000 ] - [ 0.0000000000000000, -0.0050052700000000, 0.0048620500000000 ] - [ 0.0000000000000000, -0.0213910800000000, 0.0359784800000000 ] - [ 0.0000000000000000, -0.0086187000000000, -0.0021773900000000 ] - [ 0.0000000000000000, 0.0185337400000000, 0.0142673500000000 ] - [ 0.0000000000000000, -0.0137813100000000, -0.0027854800000000 ] - [ 0.0000000000000000, 0.5085966700000000, -0.0097645600000000 ] - [ 0.0000000000000000, -0.0069729800000000, 0.0003744700000000 ] - [ 0.0000000000000000, 0.0013680700000000, 0.0048641900000000 ] - [ 0.0000000000000000, -0.0169501600000000, 0.0035891700000000 ] - [ 0.0000000000000000, 0.0065948900000000, -0.0208961900000000 ] - [ 0.0000000000000000, -0.0192677800000000, 0.0077475200000000 ] - [ 0.0000000000000000, -0.0526525200000000, -0.0334759600000000 ] - [ 0.0000000000000000, -0.0050370600000000, 0.0074904900000000 ] - [ 0.0000000000000000, -0.0006820300000000, 0.0004908700000000 ] - [ 0.0000000000000000, 0.0027902400000000, 0.0026604100000000 ] - [ 0.0000000000000000, -0.0005407100000000, 0.0040087700000000 ] - [ 0.0000000000000000, -0.0001482700000000, 0.0013421000000000 ] - [ 0.0000000000000000, -0.0004032900000000, 0.0004423700000000 ] - [ 0.0000000000000000, 0.0003380900000000, 0.0005592500000000 ] - [ 0.0000000000000000, -0.0006032800000000, 0.0009606100000000 ] - [ 0.0000000000000000, 0.0005858300000000, 0.0004105200000000 ] - [ 0.0000000000000000, -0.0004049000000000, 0.0002247500000000 ] - [ 0.0000000000000000, 0.0010005000000000, 0.0015538600000000 ] - [ 0.0000000000000000, -0.0007005200000000, 0.0024278200000000 ] - [ 0.0000000000000000, 0.0002791900000000, 0.0005244900000000 ] - [ 0.0000000000000000, -0.0002567800000000, -0.0003700800000000 ] - [ 0.0000000000000000, 0.0001421100000000, 0.0013666500000000 ] - [ 0.0000000000000000, -0.0001614200000000, 0.0008763700000000 ] - [ 0.0000000000000000, 0.0003266200000000, 0.0004987700000000 ] - [ 0.0000000000000000, -0.0008451700000000, -0.0046124000000000 ] - [ 0.0000000000000000, 0.0011502300000000, -0.0010843500000000 ] - [ 0.0000000000000000, -0.2442913100000000, -0.0992911200000000 ] - [ 0.0000000000000000, 0.0059312700000000, -0.0032833600000000 ] - [ 0.0000000000000000, -0.0008405600000000, -0.0025912000000000 ] - [ 0.0000000000000000, 0.0191872900000000, -0.0035058400000000 ] - [ -0.0121503600000000, 0.0059054900000000, 0.0155049000000000 ] - [ 0.0022970900000000, 0.0038664900000000, -0.0038627700000000 ] - [ -0.0022970900000000, 0.0038664900000000, -0.0038627700000000 ] - [ 0.0121503600000000, 0.0059054900000000, 0.0155049000000000 ] - [ 0.0001804200000000, 0.0005152000000000, -0.0002294400000000 ] - [ -0.0004932500000000, 0.0000006900000000, -0.0008803200000000 ] - [ 0.0004932500000000, 0.0000006900000000, -0.0008803200000000 ] - [ -0.0001804200000000, 0.0005152000000000, -0.0002294400000000 ] - [ 0.0000000000000000, -0.0371655900000000, 0.0321389300000000 ] - [ 0.0000000000000000, 0.0013378000000000, 0.0002466000000000 ] - [ 0.0000000000000000, 0.0005902500000000, -0.0027154300000000 ] - [ 0.0000000000000000, 0.0027887200000000, -0.0020126000000000 ] - [ 0.0000000000000000, -0.0087876300000000, -0.0284270000000000 ] - [ 0.0000000000000000, 0.0040217200000000, -0.0001829700000000 ] - [ 0.0000000000000000, -0.0130504800000000, 0.0035417100000000 ] - [ 0.0000000000000000, 0.0118681700000000, 0.0016116300000000 ] - [ 0.0000000000000000, 0.0153995600000000, -0.0072680000000000 ] - [ 0.0000000000000000, 0.0059572000000000, 0.0049660400000000 ] - [ -0.1055802800000000, -0.0914591100000000, 0.0329932300000000 ] - [ -0.0016967500000000, 0.0030542200000000, 0.0013134800000000 ] - [ -0.0010119200000000, -0.0024269100000000, -0.0029854800000000 ] - [ 0.0037092900000000, 0.0063315600000000, 0.0013827800000000 ] - [ 0.0010119200000000, -0.0024269100000000, -0.0029854800000000 ] - [ -0.0037092900000000, 0.0063315600000000, 0.0013827800000000 ] - [ 0.1055802800000000, -0.0914591100000000, 0.0329932300000000 ] - [ 0.0016967500000000, 0.0030542200000000, 0.0013134800000000 ] - [ 0.0000000000000000, 0.0004673000000000, 0.0001102000000000 ] - [ 0.0000000000000000, -0.0008101000000000, -0.0014822300000000 ] - [ 0.0000000000000000, 0.0003119700000000, -0.0003295700000000 ] - [ 0.0000000000000000, 0.0000609800000000, -0.0002600800000000 ] - [ 0.0000000000000000, -0.0005273000000000, -0.0005670600000000 ] - [ 0.0000000000000000, -0.0001011300000000, -0.0004514700000000 ] - [ -0.0000259600000000, 0.0000637400000000, -0.0002747300000000 ] - [ 0.0004111400000000, -0.0000700800000000, -0.0003386800000000 ] - [ -0.0004111400000000, -0.0000700800000000, -0.0003386800000000 ] - [ 0.0000259600000000, 0.0000637400000000, -0.0002747300000000 ] - [ 0.0014892500000000, -0.0015363900000000, -0.0016310400000000 ] - [ -0.0014089600000000, 0.0008111700000000, -0.0020928300000000 ] - [ 0.0014089600000000, 0.0008111700000000, -0.0020928300000000 ] - [ -0.0014892500000000, -0.0015363900000000, -0.0016310400000000 ] - [ 0.0000000000000000, 0.0003501700000000, -0.0005104000000000 ] - [ 0.0000000000000000, -0.0012409000000000, -0.0015407200000000 ] - [ 0.0000000000000000, 0.0009577500000000, -0.0022267500000000 ] - [ 0.0000000000000000, -0.0003082300000000, -0.0008382700000000 ] - [ 0.0000000000000000, 0.0000144100000000, -0.0005500200000000 ] - [ 0.0000000000000000, -0.0000417300000000, -0.0003919800000000 ] - [ 0.0000000000000000, 0.0006305200000000, -0.0004015400000000 ] - [ 0.0000000000000000, -0.0002533100000000, -0.0000141000000000 ] - [ 0.0000000000000000, 0.0000675300000000, 0.0000226300000000 ] - [ 0.0000000000000000, -0.0003028600000000, -0.0002637900000000 ] - [ 0.0000726900000000, 0.0001953300000000, -0.0002817700000000 ] - [ 0.0004101000000000, -0.0004006500000000, -0.0002750900000000 ] - [ -0.0005041000000000, 0.0004395000000000, -0.0005305800000000 ] - [ -0.0000896100000000, -0.0002148700000000, -0.0003329700000000 ] - [ 0.0005041000000000, 0.0004395000000000, -0.0005305800000000 ] - [ 0.0000896100000000, -0.0002148700000000, -0.0003329700000000 ] - [ -0.0000726900000000, 0.0001953300000000, -0.0002817700000000 ] - [ -0.0004101000000000, -0.0004006500000000, -0.0002750900000000 ]- atom: 9 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0000000000000000, -0.0407877500000000, 0.0499442900000000 ] - [ 0.0000000000000000, -0.0000336200000000, 0.0054913300000000 ] - [ 0.0000000000000000, -0.0020364800000000, 0.0070623000000000 ] - [ 0.0000000000000000, -0.0188420500000000, -0.0089020000000000 ] - [ 0.0000000000000000, -0.0198072600000000, 0.0122374300000000 ] - [ 0.0000000000000000, 0.0047269900000000, -0.0000968600000000 ] - [ 0.0000000000000000, 0.0004140800000000, 0.0105376000000000 ] - [ 0.0000000000000000, -0.0022503600000000, -0.0063863800000000 ] - [ 0.0000000000000000, 0.0176618000000000, -0.5124921400000000 ] - [ 0.0000000000000000, -0.0001344800000000, 0.0046577100000000 ] - [ 0.0000000000000000, -0.0043369100000000, 0.0083901500000000 ] - [ 0.0000000000000000, 0.0041028600000000, -0.0191778700000000 ] - [ 0.0000000000000000, 0.0054040700000000, 0.0048246600000000 ] - [ 0.0000000000000000, -0.0087784100000000, -0.0001823200000000 ] - [ 0.0000000000000000, 0.0335765700000000, 0.0090821300000000 ] - [ 0.0000000000000000, -0.0035997600000000, 0.0015106000000000 ] - [ 0.0000000000000000, -0.0010868100000000, 0.0056527800000000 ] - [ 0.0000000000000000, -0.0050435900000000, 0.0158302900000000 ] - [ 0.0000000000000000, -0.0085257900000000, 0.0001451500000000 ] - [ 0.0000000000000000, 0.0006425700000000, 0.0064338800000000 ] - [ 0.0000000000000000, -0.0014038900000000, 0.0042831000000000 ] - [ 0.0000000000000000, 0.0019887200000000, 0.0063539900000000 ] - [ 0.0000000000000000, -0.0004994600000000, 0.0039650000000000 ] - [ 0.0000000000000000, 0.0009538900000000, 0.0053605400000000 ] - [ 0.0000000000000000, -0.0007398400000000, 0.0052844300000000 ] - [ 0.0000000000000000, 0.0010478300000000, 0.0104051800000000 ] - [ 0.0000000000000000, -0.0019136700000000, 0.0043494500000000 ] - [ 0.0000000000000000, 0.0010394200000000, 0.0058146500000000 ] - [ 0.0000000000000000, 0.0011415800000000, 0.0033977400000000 ] - [ 0.0000000000000000, -0.0003325700000000, 0.0052251800000000 ] - [ 0.0000000000000000, 0.0001918800000000, 0.0050106000000000 ] - [ 0.0000000000000000, -0.0018633500000000, 0.0047116900000000 ] - [ 0.0000000000000000, 0.0269040300000000, -0.0001789400000000 ] - [ 0.0000000000000000, 0.0008370700000000, -0.0024535000000000 ] - [ 0.0000000000000000, 0.0934565500000000, 0.0771423600000000 ] - [ 0.0000000000000000, 0.0021671200000000, -0.0017196600000000 ] - [ 0.0000000000000000, 0.0016384200000000, -0.0012279800000000 ] - [ 0.0000000000000000, -0.0156468000000000, 0.0087349300000000 ] - [ 0.0018712300000000, -0.0047724900000000, -0.0028603300000000 ] - [ 0.0005048900000000, 0.0020703300000000, -0.0004493400000000 ] - [ -0.0005048900000000, 0.0020703300000000, -0.0004493400000000 ] - [ -0.0018712300000000, -0.0047724900000000, -0.0028603300000000 ] - [ 0.0015649800000000, 0.0002982200000000, -0.0026544700000000 ] - [ -0.0018210800000000, 0.0000589700000000, -0.0031919400000000 ] - [ 0.0018210800000000, 0.0000589700000000, -0.0031919400000000 ] - [ -0.0015649800000000, 0.0002982200000000, -0.0026544700000000 ] - [ 0.0000000000000000, -0.0293571500000000, 0.2792396400000000 ] - [ 0.0000000000000000, -0.0009565300000000, -0.0037854100000000 ] - [ 0.0000000000000000, 0.0023880800000000, -0.0060168400000000 ] - [ 0.0000000000000000, 0.0061050900000000, 0.0138799600000000 ] - [ 0.0000000000000000, 0.0016247600000000, -0.0049229400000000 ] - [ 0.0000000000000000, -0.0012748300000000, 0.0030092000000000 ] - [ 0.0000000000000000, -0.0010147400000000, -0.0024054500000000 ] - [ 0.0000000000000000, 0.0041407100000000, 0.0027258300000000 ] - [ 0.0000000000000000, 0.0102554900000000, -0.0015571800000000 ] - [ 0.0000000000000000, -0.0048465700000000, -0.0023241200000000 ] - [ -0.0626757600000000, -0.0363838400000000, 0.0532907500000000 ] - [ 0.0007488000000000, -0.0009542100000000, -0.0009188300000000 ] - [ -0.0020241100000000, 0.0016533400000000, -0.0037365500000000 ] - [ 0.0015654100000000, 0.0003549300000000, 0.0043148400000000 ] - [ 0.0020241100000000, 0.0016533400000000, -0.0037365500000000 ] - [ -0.0015654100000000, 0.0003549300000000, 0.0043148400000000 ] - [ 0.0626757600000000, -0.0363838400000000, 0.0532907500000000 ] - [ -0.0007488000000000, -0.0009542100000000, -0.0009188300000000 ] - [ 0.0000000000000000, 0.0002777700000000, -0.0016130700000000 ] - [ 0.0000000000000000, 0.0084489600000000, -0.0032420600000000 ] - [ 0.0000000000000000, -0.0008841900000000, -0.0024933200000000 ] - [ 0.0000000000000000, 0.0026499200000000, -0.0035542900000000 ] - [ 0.0000000000000000, 0.0000153500000000, -0.0016229400000000 ] - [ 0.0000000000000000, 0.0007042500000000, -0.0025312000000000 ] - [ 0.0011973200000000, -0.0002089600000000, -0.0022825200000000 ] - [ 0.0016589400000000, 0.0003256600000000, -0.0023871000000000 ] - [ -0.0016589400000000, 0.0003256600000000, -0.0023871000000000 ] - [ -0.0011973200000000, -0.0002089600000000, -0.0022825200000000 ] - [ 0.0084096600000000, 0.0054836600000000, -0.0136088100000000 ] - [ 0.0001095000000000, 0.0040201700000000, 0.0012522500000000 ] - [ -0.0001095000000000, 0.0040201700000000, 0.0012522500000000 ] - [ -0.0084096600000000, 0.0054836600000000, -0.0136088100000000 ] - [ 0.0000000000000000, 0.0014667600000000, -0.0045614400000000 ] - [ 0.0000000000000000, -0.0024982700000000, -0.0096016400000000 ] - [ 0.0000000000000000, 0.0023966800000000, -0.0029952800000000 ] - [ 0.0000000000000000, -0.0015647300000000, -0.0050087600000000 ] - [ 0.0000000000000000, -0.0005172200000000, -0.0033553800000000 ] - [ 0.0000000000000000, 0.0007268100000000, -0.0047143600000000 ] - [ 0.0000000000000000, 0.0006056700000000, -0.0015487000000000 ] - [ 0.0000000000000000, -0.0008555300000000, -0.0015920000000000 ] - [ 0.0000000000000000, 0.0012686500000000, -0.0015466600000000 ] - [ 0.0000000000000000, -0.0022026100000000, -0.0021876600000000 ] - [ 0.0010141900000000, 0.0008208100000000, -0.0020534000000000 ] - [ 0.0018939900000000, -0.0013974100000000, -0.0031677600000000 ] - [ -0.0011314800000000, 0.0008520600000000, -0.0015237200000000 ] - [ -0.0011880300000000, -0.0008888400000000, -0.0023707700000000 ] - [ 0.0011314800000000, 0.0008520600000000, -0.0015237200000000 ] - [ 0.0011880300000000, -0.0008888400000000, -0.0023707700000000 ] - [ -0.0010141900000000, 0.0008208100000000, -0.0020534000000000 ] - [ -0.0018939900000000, -0.0013974100000000, -0.0031677600000000 ]- atom: 9 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0406055100000000, -0.0497266800000000 ] - [ 0.0000000000000000, 0.0000502300000000, -0.0052001900000000 ] - [ 0.0000000000000000, 0.0020296700000000, -0.0067770900000000 ] - [ 0.0000000000000000, 0.0187674800000000, 0.0085989100000000 ] - [ 0.0000000000000000, 0.0195213500000000, -0.0124099500000000 ] - [ 0.0000000000000000, -0.0051018700000000, 0.0005003600000000 ] - [ 0.0000000000000000, -0.0000480400000000, -0.0101559100000000 ] - [ 0.0000000000000000, 0.0026135600000000, 0.0060018500000000 ] - [ 0.0000000000000000, -0.0126952300000000, 0.4913663100000000 ] - [ 0.0000000000000000, 0.0000275100000000, -0.0037253600000000 ] - [ 0.0000000000000000, 0.0044647800000000, -0.0074759400000000 ] - [ 0.0000000000000000, -0.0039770900000000, 0.0182172900000000 ] - [ 0.0000000000000000, -0.0054252200000000, -0.0060799000000000 ] - [ 0.0000000000000000, 0.0087473000000000, 0.0014942900000000 ] - [ 0.0000000000000000, -0.0337528300000000, -0.0081359500000000 ] - [ 0.0000000000000000, 0.0036145000000000, -0.0023368500000000 ] - [ 0.0000000000000000, 0.0010991900000000, -0.0059275900000000 ] - [ 0.0000000000000000, 0.0050357700000000, -0.0155141200000000 ] - [ 0.0000000000000000, 0.0084999000000000, 0.0001329700000000 ] - [ 0.0000000000000000, -0.0006515900000000, -0.0067106300000000 ] - [ 0.0000000000000000, 0.0010310300000000, -0.0046705100000000 ] - [ 0.0000000000000000, -0.0023557800000000, -0.0059556800000000 ] - [ 0.0000000000000000, 0.0008700100000000, -0.0035716800000000 ] - [ 0.0000000000000000, -0.0005825600000000, -0.0057464000000000 ] - [ 0.0000000000000000, 0.0006329200000000, -0.0061988500000000 ] - [ 0.0000000000000000, -0.0011531400000000, -0.0094710000000000 ] - [ 0.0000000000000000, 0.0020168800000000, -0.0034275800000000 ] - [ 0.0000000000000000, -0.0009313500000000, -0.0067292600000000 ] - [ 0.0000000000000000, -0.0011388000000000, -0.0046692800000000 ] - [ 0.0000000000000000, 0.0003314400000000, -0.0039459700000000 ] - [ 0.0000000000000000, -0.0001910700000000, -0.0041527900000000 ] - [ 0.0000000000000000, 0.0018592600000000, -0.0055609300000000 ] - [ 0.0000000000000000, -0.0268119300000000, 0.0010536700000000 ] - [ 0.0000000000000000, -0.0008409000000000, 0.0015478800000000 ] - [ 0.0000000000000000, -0.0950819300000000, -0.0771665600000000 ] - [ 0.0000000000000000, -0.0016382000000000, 0.0019453800000000 ] - [ 0.0000000000000000, -0.0021792400000000, 0.0014524300000000 ] - [ 0.0000000000000000, 0.0150435600000000, -0.0089598400000000 ] - [ -0.0021676700000000, 0.0047816600000000, 0.0026703500000000 ] - [ -0.0001815900000000, -0.0020680600000000, 0.0005821800000000 ] - [ 0.0001815900000000, -0.0020680600000000, 0.0005821800000000 ] - [ 0.0021676700000000, 0.0047816600000000, 0.0026703500000000 ] - [ -0.0015622200000000, -0.0000117700000000, 0.0026624800000000 ] - [ 0.0018202700000000, -0.0003474300000000, 0.0031778200000000 ] - [ -0.0018202700000000, -0.0003474300000000, 0.0031778200000000 ] - [ 0.0015622200000000, -0.0000117700000000, 0.0026624800000000 ] - [ 0.0000000000000000, 0.0266421200000000, -0.2612912900000000 ] - [ 0.0000000000000000, 0.0009882900000000, 0.0036278500000000 ] - [ 0.0000000000000000, -0.0024263900000000, 0.0058565400000000 ] - [ 0.0000000000000000, -0.0061313200000000, -0.0136995300000000 ] - [ 0.0000000000000000, -0.0016503900000000, 0.0048513700000000 ] - [ 0.0000000000000000, 0.0012791200000000, -0.0030194600000000 ] - [ 0.0000000000000000, 0.0012285600000000, 0.0018836400000000 ] - [ 0.0000000000000000, -0.0039311800000000, -0.0022117900000000 ] - [ 0.0000000000000000, -0.0103662400000000, 0.0020174300000000 ] - [ 0.0000000000000000, 0.0046525100000000, 0.0018027900000000 ] - [ 0.0624465200000000, 0.0364552200000000, -0.0524973900000000 ] - [ -0.0005204200000000, 0.0009942200000000, 0.0009268700000000 ] - [ 0.0017948900000000, -0.0016981400000000, 0.0037545700000000 ] - [ -0.0013416000000000, -0.0003995900000000, -0.0043226900000000 ] - [ -0.0017948900000000, -0.0016981400000000, 0.0037545700000000 ] - [ 0.0013416000000000, -0.0003995900000000, -0.0043226900000000 ] - [ -0.0624465200000000, 0.0364552200000000, -0.0524973900000000 ] - [ 0.0005204200000000, 0.0009942200000000, 0.0009268700000000 ] - [ 0.0000000000000000, -0.0002795200000000, 0.0025140800000000 ] - [ 0.0000000000000000, -0.0084385800000000, 0.0023379000000000 ] - [ 0.0000000000000000, 0.0014049000000000, 0.0022567900000000 ] - [ 0.0000000000000000, -0.0021198500000000, 0.0037839300000000 ] - [ 0.0000000000000000, -0.0005358700000000, 0.0018562100000000 ] - [ 0.0000000000000000, -0.0012304700000000, 0.0022948200000000 ] - [ -0.0015066400000000, 0.0002082700000000, 0.0021283900000000 ] - [ -0.0013471400000000, -0.0003247500000000, 0.0025370900000000 ] - [ 0.0013471400000000, -0.0003247500000000, 0.0025370900000000 ] - [ 0.0015066400000000, 0.0002082700000000, 0.0021283900000000 ] - [ -0.0084162700000000, -0.0051867600000000, 0.0136101500000000 ] - [ -0.0001082200000000, -0.0042985700000000, -0.0012593000000000 ] - [ 0.0001082200000000, -0.0042985700000000, -0.0012593000000000 ] - [ 0.0084162700000000, -0.0051867600000000, 0.0136101500000000 ] - [ 0.0000000000000000, -0.0014300600000000, 0.0047163100000000 ] - [ 0.0000000000000000, 0.0025339500000000, 0.0094407200000000 ] - [ 0.0000000000000000, -0.0024289800000000, 0.0028345500000000 ] - [ 0.0000000000000000, 0.0015276800000000, 0.0051525700000000 ] - [ 0.0000000000000000, 0.0005169800000000, 0.0033528200000000 ] - [ 0.0000000000000000, -0.0007261800000000, 0.0047096400000000 ] - [ 0.0000000000000000, -0.0004087800000000, 0.0010320400000000 ] - [ 0.0000000000000000, 0.0010522300000000, 0.0021066600000000 ] - [ 0.0000000000000000, -0.0014639000000000, 0.0020604000000000 ] - [ 0.0000000000000000, 0.0020024300000000, 0.0016689900000000 ] - [ -0.0012394800000000, -0.0007791400000000, 0.0020378100000000 ] - [ -0.0016654300000000, 0.0014362300000000, 0.0031764200000000 ] - [ 0.0009041600000000, -0.0008917600000000, 0.0015365400000000 ] - [ 0.0014132700000000, 0.0008473200000000, 0.0023562900000000 ] - [ -0.0009041600000000, -0.0008917600000000, 0.0015365400000000 ] - [ -0.0014132700000000, 0.0008473200000000, 0.0023562900000000 ] - [ 0.0012394800000000, -0.0007791400000000, 0.0020378100000000 ] - [ 0.0016654300000000, 0.0014362300000000, 0.0031764200000000 ]- atom: 13 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0000449300000000, 0.0000057500000000, -0.0001421900000000 ] - [ 0.0000084200000000, 0.0000047400000000, 0.0001412200000000 ] - [ 0.0000084200000000, -0.0000047400000000, 0.0001412200000000 ] - [ 0.0000449300000000, -0.0000057500000000, -0.0001421900000000 ] - [ -0.0008397300000000, -0.0001869700000000, -0.0002029200000000 ] - [ -0.0007546000000000, -0.0001952700000000, 0.0002284900000000 ] - [ -0.0007546000000000, 0.0001952700000000, 0.0002284900000000 ] - [ -0.0008397300000000, 0.0001869700000000, -0.0002029200000000 ] - [ 0.0001903800000000, -0.0000461800000000, -0.0004549500000000 ] - [ -0.0002687300000000, -0.0000596700000000, 0.0004611800000000 ] - [ -0.0002687300000000, 0.0000596700000000, 0.0004611800000000 ] - [ 0.0001903800000000, 0.0000461800000000, -0.0004549500000000 ] - [ -0.4615583100000000, 0.0000000000000000, -0.0100094500000000 ] - [ -0.0000058800000000, 0.0000000000000000, 0.0006402500000000 ] - [ 0.1120892100000000, 0.0000000000000000, 0.0007747700000000 ] - [ 0.0000278500000000, 0.0000000000000000, -0.0004234700000000 ] - [ -0.0000042300000000, 0.0000050200000000, -0.0001411700000000 ] - [ -0.0000115000000000, 0.0000050600000000, 0.0001394100000000 ] - [ -0.0000115000000000, -0.0000050600000000, 0.0001394100000000 ] - [ -0.0000042300000000, -0.0000050200000000, -0.0001411700000000 ] - [ 0.0000001700000000, -0.0001855300000000, -0.0001968800000000 ] - [ 0.0000000300000000, -0.0001855500000000, 0.0001945700000000 ] - [ 0.0000000300000000, 0.0001855500000000, 0.0001945700000000 ] - [ 0.0000001700000000, 0.0001855300000000, -0.0001968800000000 ] - [ -0.0000003200000000, -0.0000535400000000, -0.0004607500000000 ] - [ -0.0000000400000000, -0.0000534200000000, 0.0004584800000000 ] - [ -0.0000000400000000, 0.0000534200000000, 0.0004584800000000 ] - [ -0.0000003200000000, 0.0000535400000000, -0.0004607500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006383100000000 ] - [ -0.0000001300000000, 0.0000000000000000, 0.0006362900000000 ] - [ 0.0000001800000000, 0.0000000000000000, 0.0004261500000000 ] - [ -0.0000000900000000, 0.0000000000000000, -0.0004283500000000 ] - [ -0.0000624400000000, 0.0000000000000000, 0.0004514400000000 ] - [ -0.0000005500000000, 0.0000000000000000, -0.0004516700000000 ] - [ -0.0151100500000000, 0.0002872800000000, -0.0000992800000000 ] - [ 0.0001394500000000, 0.0002630900000000, 0.0001154000000000 ] - [ 0.0001394500000000, -0.0002630900000000, 0.0001154000000000 ] - [ -0.0151100500000000, -0.0002872800000000, -0.0000992800000000 ] - [ 0.1588812500000000, 0.0000000000000000, -0.1039358800000000 ] - [ 0.0001634700000000, 0.0000000000000000, 0.0000651600000000 ] - [ -0.0001492200000000, 0.0000000000000000, 0.0000841600000000 ] - [ 0.1684590700000000, 0.0000000000000000, 0.1116981100000000 ] - [ 0.0000022700000000, 0.0001416300000000, -0.0000037300000000 ] - [ 0.0000021200000000, -0.0001463700000000, 0.0000034800000000 ] - [ 0.0000022700000000, -0.0001416300000000, -0.0000037300000000 ] - [ 0.0000021200000000, 0.0001463700000000, 0.0000034800000000 ] - [ 0.0001677200000000, 0.0000177300000000, 0.0000795600000000 ] - [ 0.0000618800000000, 0.0000182200000000, -0.0000787400000000 ] - [ 0.0000618800000000, -0.0000182200000000, -0.0000787400000000 ] - [ 0.0001677200000000, -0.0000177300000000, 0.0000795600000000 ] - [ 0.0009754600000000, 0.0000180100000000, 0.0000122400000000 ] - [ 0.0009754600000000, -0.0000180100000000, 0.0000122400000000 ] - [ 0.0244843100000000, -0.0006962400000000, 0.0002437200000000 ] - [ 0.0000128300000000, 0.0000965900000000, 0.0002595000000000 ] - [ 0.0000128300000000, -0.0000965900000000, 0.0002595000000000 ] - [ 0.0244843100000000, 0.0006962400000000, 0.0002437200000000 ] - [ -0.0003515400000000, -0.0000959800000000, 0.0002874000000000 ] - [ 0.0013457300000000, -0.0015742500000000, -0.0005571700000000 ] - [ 0.0010943500000000, -0.0016056900000000, 0.0005581800000000 ] - [ -0.0001224700000000, -0.0001366500000000, -0.0002982100000000 ] - [ 0.0013457300000000, 0.0015742500000000, -0.0005571700000000 ] - [ -0.0003515400000000, 0.0000959800000000, 0.0002874000000000 ] - [ -0.0001224700000000, 0.0001366500000000, -0.0002982100000000 ] - [ 0.0010943500000000, 0.0016056900000000, 0.0005581800000000 ] - [ 0.0000013300000000, 0.0000000000000000, 0.0004513200000000 ] - [ 0.0000044300000000, 0.0000000000000000, -0.0004508500000000 ] - [ 0.0000006200000000, 0.0002623400000000, -0.0001166300000000 ] - [ -0.0000006100000000, 0.0002617400000000, 0.0001175800000000 ] - [ -0.0000006100000000, -0.0002617400000000, 0.0001175800000000 ] - [ 0.0000006200000000, -0.0002623400000000, -0.0001166300000000 ] - [ -0.0001556000000000, 0.0000000000000000, -0.0000757500000000 ] - [ 0.0001549200000000, 0.0000000000000000, 0.0000768400000000 ] - [ -0.0001547800000000, 0.0000000000000000, 0.0000770400000000 ] - [ 0.0001554200000000, 0.0000000000000000, -0.0000760000000000 ] - [ 0.0000025100000000, 0.0001497000000000, -0.0000084100000000 ] - [ 0.0000033500000000, -0.0001378200000000, 0.0000097100000000 ] - [ 0.0000025100000000, -0.0001497000000000, -0.0000084100000000 ] - [ 0.0000033500000000, 0.0001378200000000, 0.0000097100000000 ] - [ 0.0000007700000000, 0.0000178800000000, 0.0000776400000000 ] - [ 0.0000013200000000, 0.0000180700000000, -0.0000762200000000 ] - [ 0.0000013200000000, -0.0000180700000000, -0.0000762200000000 ] - [ 0.0000007700000000, -0.0000178800000000, 0.0000776400000000 ] - [ -0.0000000300000000, 0.0000002300000000, 0.0000009300000000 ] - [ -0.0000000300000000, -0.0000002300000000, 0.0000009300000000 ] - [ -0.0000001000000000, 0.0000985500000000, -0.0002582400000000 ] - [ 0.0000002100000000, 0.0000988400000000, 0.0002590500000000 ] - [ 0.0000002100000000, -0.0000988400000000, 0.0002590500000000 ] - [ -0.0000001000000000, -0.0000985500000000, -0.0002582400000000 ] - [ -0.0001133100000000, 0.0000206700000000, -0.0000057100000000 ] - [ 0.0001129300000000, 0.0000206800000000, 0.0000066500000000 ] - [ -0.0001128800000000, -0.0000207400000000, 0.0000066700000000 ] - [ 0.0001133100000000, -0.0000205800000000, -0.0000057500000000 ] - [ 0.0001129300000000, -0.0000206800000000, 0.0000066500000000 ] - [ -0.0001133100000000, -0.0000206700000000, -0.0000057100000000 ] - [ 0.0001133100000000, 0.0000205800000000, -0.0000057500000000 ] - [ -0.0001128800000000, 0.0000207400000000, 0.0000066700000000 ]- atom: 13 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0000000000000000, -0.0030673200000000, 0.0020468600000000 ] - [ 0.0000000000000000, 0.0087225400000000, 0.0059679200000000 ] - [ 0.0000000000000000, 0.0087097800000000, -0.0056953500000000 ] - [ 0.0000000000000000, -0.0030722600000000, -0.0023308300000000 ] - [ 0.0000000000000000, 0.0105232200000000, 0.0175842300000000 ] - [ 0.0000000000000000, 0.0643745000000000, 0.0088666800000000 ] - [ 0.0000000000000000, 0.0650600100000000, -0.0088621200000000 ] - [ 0.0000000000000000, 0.0108763300000000, -0.0178700900000000 ] - [ 0.0000000000000000, -0.0066706600000000, 0.0049552300000000 ] - [ 0.0000000000000000, 0.0192207300000000, 0.0092128700000000 ] - [ 0.0000000000000000, 0.0193281300000000, -0.0083127400000000 ] - [ 0.0000000000000000, -0.0064896800000000, -0.0058734200000000 ] - [ 0.0000000000000000, -0.5180838200000000, 0.0085580800000000 ] - [ 0.0000000000000000, 0.0136481400000000, 0.0006328700000000 ] - [ 0.0000000000000000, -0.0068886500000000, 0.0004143400000000 ] - [ 0.0000000000000000, 0.0181126200000000, -0.0004367400000000 ] - [ 0.0000000000000000, 0.0026891100000000, 0.0026135600000000 ] - [ 0.0000000000000000, -0.0009203500000000, 0.0010896800000000 ] - [ 0.0000000000000000, -0.0009310000000000, -0.0008087400000000 ] - [ 0.0000000000000000, 0.0026755200000000, -0.0028979300000000 ] - [ 0.0000000000000000, -0.0005145300000000, 0.0002380100000000 ] - [ 0.0000000000000000, 0.0000186900000000, 0.0001568500000000 ] - [ 0.0000000000000000, 0.0003901500000000, 0.0002351100000000 ] - [ 0.0000000000000000, -0.0001443000000000, -0.0006276900000000 ] - [ 0.0000000000000000, 0.0002031700000000, 0.0006801200000000 ] - [ 0.0000000000000000, -0.0001947300000000, 0.0007922500000000 ] - [ 0.0000000000000000, -0.0000878200000000, 0.0001286800000000 ] - [ 0.0000000000000000, 0.0003078800000000, -0.0016001700000000 ] - [ 0.0000000000000000, 0.0003196800000000, -0.0006370900000000 ] - [ 0.0000000000000000, -0.0005488900000000, 0.0006382300000000 ] - [ 0.0000000000000000, 0.0007841700000000, 0.0004272500000000 ] - [ 0.0000000000000000, -0.0003604000000000, -0.0004266000000000 ] - [ 0.0000000000000000, 0.0025398100000000, 0.0004533200000000 ] - [ 0.0000000000000000, -0.0069628900000000, -0.0004494600000000 ] - [ 0.0000000000000000, 0.0082644100000000, 0.0038285400000000 ] - [ 0.0000000000000000, -0.0137549800000000, 0.0038936000000000 ] - [ 0.0000000000000000, -0.0142657700000000, -0.0036488100000000 ] - [ 0.0000000000000000, 0.0076496600000000, -0.0040003300000000 ] - [ 0.0006678700000000, 0.0313583700000000, -0.0006565700000000 ] - [ 0.0001521300000000, -0.0049067800000000, 0.0000795700000000 ] - [ -0.0001521300000000, -0.0049067800000000, 0.0000795700000000 ] - [ -0.0006678700000000, 0.0313583700000000, -0.0006565700000000 ] - [ 0.0009318100000000, -0.0015178500000000, -0.0019352900000000 ] - [ 0.0009330600000000, -0.0018037500000000, 0.0019373400000000 ] - [ -0.0009330600000000, -0.0018037500000000, 0.0019373400000000 ] - [ -0.0009318100000000, -0.0015178500000000, -0.0019352900000000 ] - [ 0.0000000000000000, 0.0022365400000000, -0.0029907300000000 ] - [ 0.0000000000000000, -0.0059606200000000, -0.0083188700000000 ] - [ 0.0000000000000000, -0.0059974700000000, 0.0081737000000000 ] - [ 0.0000000000000000, 0.0021896700000000, 0.0031446100000000 ] - [ 0.0000000000000000, -0.0163715500000000, -0.0172506500000000 ] - [ 0.0000000000000000, -0.0162910200000000, 0.0172237500000000 ] - [ 0.0000000000000000, 0.1970198800000000, -0.1175308500000000 ] - [ 0.0000000000000000, -0.0091392900000000, 0.0011155700000000 ] - [ 0.0000000000000000, -0.0093410400000000, -0.0006066800000000 ] - [ 0.0000000000000000, 0.1873648300000000, 0.1092514600000000 ] - [ 0.0025873200000000, 0.0005644200000000, -0.0042900900000000 ] - [ 0.0094512600000000, -0.0138963700000000, -0.0064835300000000 ] - [ 0.0092104100000000, -0.0139170100000000, 0.0065194400000000 ] - [ 0.0027922000000000, 0.0005057100000000, 0.0042569100000000 ] - [ -0.0092104100000000, -0.0139170100000000, 0.0065194400000000 ] - [ -0.0027922000000000, 0.0005057100000000, 0.0042569100000000 ] - [ -0.0025873200000000, 0.0005644200000000, -0.0042900900000000 ] - [ -0.0094512600000000, -0.0138963700000000, -0.0064835300000000 ] - [ 0.0000000000000000, -0.0029405200000000, 0.0004519400000000 ] - [ 0.0000000000000000, 0.0010375100000000, -0.0004516000000000 ] - [ 0.0000000000000000, -0.0002958700000000, -0.0004985800000000 ] - [ 0.0000000000000000, 0.0005009100000000, -0.0000186300000000 ] - [ 0.0000000000000000, -0.0000230800000000, 0.0002519900000000 ] - [ 0.0000000000000000, -0.0008190500000000, 0.0002646100000000 ] - [ -0.0001551300000000, -0.0001652400000000, -0.0000759800000000 ] - [ 0.0001553400000000, 0.0001392900000000, 0.0000756100000000 ] - [ -0.0001553400000000, 0.0001392900000000, 0.0000756100000000 ] - [ 0.0001551300000000, -0.0001652400000000, -0.0000759800000000 ] - [ 0.0003361400000000, 0.0007133200000000, -0.0006978900000000 ] - [ 0.0003365700000000, 0.0004251100000000, 0.0006982800000000 ] - [ -0.0003365700000000, 0.0004251100000000, 0.0006982800000000 ] - [ -0.0003361400000000, 0.0007133200000000, -0.0006978900000000 ] - [ 0.0000000000000000, -0.0001005700000000, -0.0010424700000000 ] - [ 0.0000000000000000, 0.0000646900000000, -0.0004307400000000 ] - [ 0.0000000000000000, 0.0000297600000000, 0.0002767600000000 ] - [ 0.0000000000000000, -0.0001342900000000, 0.0011971500000000 ] - [ 0.0000000000000000, -0.0000291100000000, -0.0001811700000000 ] - [ 0.0000000000000000, -0.0000287200000000, 0.0001802500000000 ] - [ 0.0000000000000000, -0.0001104900000000, -0.0002166000000000 ] - [ 0.0000000000000000, 0.0004665300000000, 0.0003981100000000 ] - [ 0.0000000000000000, 0.0002691300000000, 0.0001171600000000 ] - [ 0.0000000000000000, -0.0003074000000000, -0.0003004400000000 ] - [ 0.0000181300000000, 0.0001047500000000, -0.0003156900000000 ] - [ 0.0001315900000000, -0.0000013700000000, -0.0000507100000000 ] - [ -0.0000949500000000, -0.0000419200000000, 0.0000630700000000 ] - [ 0.0002446300000000, 0.0000645500000000, 0.0003029000000000 ] - [ 0.0000949500000000, -0.0000419200000000, 0.0000630700000000 ] - [ -0.0002446300000000, 0.0000645500000000, 0.0003029000000000 ] - [ -0.0000181300000000, 0.0001047500000000, -0.0003156900000000 ] - [ -0.0001315900000000, -0.0000013700000000, -0.0000507100000000 ]- atom: 13 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0011501100000000, 0.0057072400000000 ] - [ 0.0000000000000000, 0.0014062900000000, 0.0028074600000000 ] - [ 0.0000000000000000, -0.0014062900000000, 0.0028074600000000 ] - [ 0.0000000000000000, -0.0011501100000000, 0.0057072400000000 ] - [ 0.0000000000000000, 0.0076852400000000, -0.0166943100000000 ] - [ 0.0000000000000000, 0.0305935500000000, -0.0135746800000000 ] - [ 0.0000000000000000, -0.0305935500000000, -0.0135746800000000 ] - [ 0.0000000000000000, -0.0076852400000000, -0.0166943100000000 ] - [ 0.0000000000000000, 0.0201995300000000, 0.0049879400000000 ] - [ 0.0000000000000000, 0.0070741000000000, -0.0003642000000000 ] - [ 0.0000000000000000, -0.0070741000000000, -0.0003642000000000 ] - [ 0.0000000000000000, -0.0201995300000000, 0.0049879400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.4822038500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0079539200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0456264700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0097915200000000 ] - [ 0.0000000000000000, -0.0001915700000000, 0.0034669300000000 ] - [ 0.0000000000000000, 0.0010587800000000, 0.0053578600000000 ] - [ 0.0000000000000000, -0.0010587800000000, 0.0053578600000000 ] - [ 0.0000000000000000, 0.0001915700000000, 0.0034669300000000 ] - [ 0.0000000000000000, -0.0006416100000000, 0.0034303300000000 ] - [ 0.0000000000000000, 0.0005446300000000, 0.0037817400000000 ] - [ 0.0000000000000000, -0.0005446300000000, 0.0037817400000000 ] - [ 0.0000000000000000, 0.0006416100000000, 0.0034303300000000 ] - [ 0.0000000000000000, -0.0003219200000000, 0.0035736200000000 ] - [ 0.0000000000000000, 0.0006771200000000, 0.0050446900000000 ] - [ 0.0000000000000000, -0.0006771200000000, 0.0050446900000000 ] - [ 0.0000000000000000, 0.0003219200000000, 0.0035736200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0023246900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0039559900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0036850600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0031934600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0023040400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0009981000000000 ] - [ 0.0000000000000000, -0.0163990500000000, -0.0145531300000000 ] - [ 0.0000000000000000, -0.0042832800000000, 0.0036700100000000 ] - [ 0.0000000000000000, 0.0042832800000000, 0.0036700100000000 ] - [ 0.0000000000000000, 0.0163990500000000, -0.0145531300000000 ] - [ -0.1317777300000000, 0.0000000000000000, 0.1157657800000000 ] - [ -0.0026740200000000, 0.0000000000000000, 0.0048116300000000 ] - [ 0.0026740200000000, 0.0000000000000000, 0.0048116300000000 ] - [ 0.1317777300000000, 0.0000000000000000, 0.1157657800000000 ] - [ 0.0008541000000000, -0.0001369400000000, -0.0015291800000000 ] - [ -0.0008541000000000, 0.0001369400000000, -0.0015291800000000 ] - [ 0.0008541000000000, 0.0001369400000000, -0.0015291800000000 ] - [ -0.0008541000000000, -0.0001369400000000, -0.0015291800000000 ] - [ 0.0000000000000000, -0.0020564400000000, -0.0038537100000000 ] - [ 0.0000000000000000, -0.0019770200000000, -0.0018365100000000 ] - [ 0.0000000000000000, 0.0019770200000000, -0.0018365100000000 ] - [ 0.0000000000000000, 0.0020564400000000, -0.0038537100000000 ] - [ 0.0000000000000000, 0.0080056500000000, 0.0215364100000000 ] - [ 0.0000000000000000, -0.0080056500000000, 0.0215364100000000 ] - [ 0.0000000000000000, -0.1093859900000000, 0.1126800000000000 ] - [ 0.0000000000000000, 0.0032965400000000, 0.0045977900000000 ] - [ 0.0000000000000000, -0.0032965400000000, 0.0045977900000000 ] - [ 0.0000000000000000, 0.1093859900000000, 0.1126800000000000 ] - [ -0.0046273100000000, -0.0063570800000000, 0.0036471000000000 ] - [ 0.0037747400000000, -0.0075217500000000, -0.0001397600000000 ] - [ -0.0037747400000000, 0.0075217500000000, -0.0001397600000000 ] - [ 0.0046273100000000, 0.0063570800000000, 0.0036471000000000 ] - [ 0.0037747400000000, 0.0075217500000000, -0.0001397600000000 ] - [ -0.0046273100000000, 0.0063570800000000, 0.0036471000000000 ] - [ 0.0046273100000000, -0.0063570800000000, 0.0036471000000000 ] - [ -0.0037747400000000, -0.0075217500000000, -0.0001397600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0007780100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0021681800000000 ] - [ 0.0000000000000000, -0.0005644600000000, -0.0017825600000000 ] - [ 0.0000000000000000, 0.0010780000000000, -0.0017483300000000 ] - [ 0.0000000000000000, -0.0010780000000000, -0.0017483300000000 ] - [ 0.0000000000000000, 0.0005644600000000, -0.0017825600000000 ] - [ 0.0008123000000000, 0.0000000000000000, -0.0016626500000000 ] - [ 0.0012198300000000, 0.0000000000000000, -0.0016754100000000 ] - [ -0.0012198300000000, 0.0000000000000000, -0.0016754100000000 ] - [ -0.0008123000000000, 0.0000000000000000, -0.0016626500000000 ] - [ 0.0014914300000000, -0.0002496500000000, -0.0025116600000000 ] - [ -0.0014914300000000, 0.0002496500000000, -0.0025116600000000 ] - [ 0.0014914300000000, 0.0002496500000000, -0.0025116600000000 ] - [ -0.0014914300000000, -0.0002496500000000, -0.0025116600000000 ] - [ 0.0000000000000000, 0.0007649700000000, -0.0029812900000000 ] - [ 0.0000000000000000, -0.0013172300000000, -0.0039467000000000 ] - [ 0.0000000000000000, 0.0013172300000000, -0.0039467000000000 ] - [ 0.0000000000000000, -0.0007649700000000, -0.0029812900000000 ] - [ 0.0000000000000000, -0.0005341200000000, -0.0029232100000000 ] - [ 0.0000000000000000, 0.0005341200000000, -0.0029232100000000 ] - [ 0.0000000000000000, 0.0008943900000000, -0.0014685300000000 ] - [ 0.0000000000000000, -0.0006090000000000, -0.0010896400000000 ] - [ 0.0000000000000000, 0.0006090000000000, -0.0010896400000000 ] - [ 0.0000000000000000, -0.0008943900000000, -0.0014685300000000 ] - [ 0.0006791700000000, 0.0004776100000000, -0.0015353500000000 ] - [ 0.0010211900000000, -0.0006328300000000, -0.0016104600000000 ] - [ -0.0010211900000000, 0.0006328300000000, -0.0016104600000000 ] - [ -0.0006791700000000, -0.0004776100000000, -0.0015353500000000 ] - [ 0.0010211900000000, 0.0006328300000000, -0.0016104600000000 ] - [ 0.0006791700000000, -0.0004776100000000, -0.0015353500000000 ] - [ -0.0006791700000000, 0.0004776100000000, -0.0015353500000000 ] - [ -0.0010211900000000, -0.0006328300000000, -0.0016104600000000 ]- atom: 13 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0000000000000000, -0.0011329500000000, -0.0059915600000000 ] - [ 0.0000000000000000, -0.0013965300000000, -0.0025124000000000 ] - [ 0.0000000000000000, 0.0013965300000000, -0.0025124000000000 ] - [ 0.0000000000000000, 0.0011329500000000, -0.0059915600000000 ] - [ 0.0000000000000000, -0.0080520400000000, 0.0162792200000000 ] - [ 0.0000000000000000, -0.0310525800000000, 0.0140181000000000 ] - [ 0.0000000000000000, 0.0310525800000000, 0.0140181000000000 ] - [ 0.0000000000000000, 0.0080520400000000, 0.0162792200000000 ] - [ 0.0000000000000000, -0.0202901300000000, -0.0059163600000000 ] - [ 0.0000000000000000, -0.0071783900000000, 0.0013113400000000 ] - [ 0.0000000000000000, 0.0071783900000000, 0.0013113400000000 ] - [ 0.0000000000000000, 0.0202901300000000, -0.0059163600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.4801721400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0092232500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0448468600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0089361700000000 ] - [ 0.0000000000000000, 0.0001992600000000, -0.0037429900000000 ] - [ 0.0000000000000000, -0.0010474700000000, -0.0050778800000000 ] - [ 0.0000000000000000, 0.0010474700000000, -0.0050778800000000 ] - [ 0.0000000000000000, -0.0001992600000000, -0.0037429900000000 ] - [ 0.0000000000000000, 0.0002691400000000, -0.0038232800000000 ] - [ 0.0000000000000000, -0.0009150400000000, -0.0033928700000000 ] - [ 0.0000000000000000, 0.0009150400000000, -0.0033928700000000 ] - [ 0.0000000000000000, -0.0002691400000000, -0.0038232800000000 ] - [ 0.0000000000000000, 0.0002127700000000, -0.0044925800000000 ] - [ 0.0000000000000000, -0.0007833600000000, -0.0041273500000000 ] - [ 0.0000000000000000, 0.0007833600000000, -0.0041273500000000 ] - [ 0.0000000000000000, -0.0002127700000000, -0.0044925800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0036006500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0026836800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0028315300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0040499000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0032050900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000898100000000 ] - [ 0.0000000000000000, 0.0169366500000000, 0.0143699600000000 ] - [ 0.0000000000000000, 0.0048028200000000, -0.0034384900000000 ] - [ 0.0000000000000000, -0.0048028200000000, -0.0034384900000000 ] - [ 0.0000000000000000, -0.0169366500000000, 0.0143699600000000 ] - [ 0.1266649200000000, 0.0000000000000000, -0.1140915200000000 ] - [ 0.0029831300000000, 0.0000000000000000, -0.0046571600000000 ] - [ -0.0029831300000000, 0.0000000000000000, -0.0046571600000000 ] - [ -0.1266649200000000, 0.0000000000000000, -0.1140915200000000 ] - [ -0.0008511600000000, 0.0004255800000000, 0.0015245400000000 ] - [ 0.0008511600000000, -0.0004255800000000, 0.0015245400000000 ] - [ -0.0008511600000000, -0.0004255800000000, 0.0015245400000000 ] - [ 0.0008511600000000, 0.0004255800000000, 0.0015245400000000 ] - [ 0.0000000000000000, 0.0020890100000000, 0.0040184700000000 ] - [ 0.0000000000000000, 0.0020105200000000, 0.0016633000000000 ] - [ 0.0000000000000000, -0.0020105200000000, 0.0016633000000000 ] - [ 0.0000000000000000, -0.0020890100000000, 0.0040184700000000 ] - [ 0.0000000000000000, -0.0079879500000000, -0.0215040000000000 ] - [ 0.0000000000000000, 0.0079879500000000, -0.0215040000000000 ] - [ 0.0000000000000000, 0.1140106900000000, -0.1146865800000000 ] - [ 0.0000000000000000, -0.0031001900000000, -0.0040743800000000 ] - [ 0.0000000000000000, 0.0031001900000000, -0.0040743800000000 ] - [ 0.0000000000000000, -0.1140106900000000, -0.1146865800000000 ] - [ 0.0043977200000000, 0.0063914900000000, -0.0036500200000000 ] - [ -0.0035219100000000, 0.0075348700000000, 0.0001184300000000 ] - [ 0.0035219100000000, -0.0075348700000000, 0.0001184300000000 ] - [ -0.0043977200000000, -0.0063914900000000, -0.0036500200000000 ] - [ -0.0035219100000000, -0.0075348700000000, 0.0001184300000000 ] - [ 0.0043977200000000, -0.0063914900000000, -0.0036500200000000 ] - [ -0.0043977200000000, 0.0063914900000000, -0.0036500200000000 ] - [ 0.0035219100000000, 0.0075348700000000, 0.0001184300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0016795500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0012660400000000 ] - [ 0.0000000000000000, 0.0010893700000000, 0.0015487900000000 ] - [ 0.0000000000000000, -0.0005547300000000, 0.0019834000000000 ] - [ 0.0000000000000000, 0.0005547300000000, 0.0019834000000000 ] - [ 0.0000000000000000, -0.0010893700000000, 0.0015487900000000 ] - [ -0.0011228700000000, 0.0000000000000000, 0.0015106300000000 ] - [ -0.0009103700000000, 0.0000000000000000, 0.0018292300000000 ] - [ 0.0009103700000000, 0.0000000000000000, 0.0018292300000000 ] - [ 0.0011228700000000, 0.0000000000000000, 0.0015106300000000 ] - [ -0.0014923400000000, 0.0005354400000000, 0.0025126800000000 ] - [ 0.0014923400000000, -0.0005354400000000, 0.0025126800000000 ] - [ -0.0014923400000000, -0.0005354400000000, 0.0025126800000000 ] - [ 0.0014923400000000, 0.0005354400000000, 0.0025126800000000 ] - [ 0.0000000000000000, -0.0007277600000000, 0.0031330700000000 ] - [ 0.0000000000000000, 0.0013523800000000, 0.0037942600000000 ] - [ 0.0000000000000000, -0.0013523800000000, 0.0037942600000000 ] - [ 0.0000000000000000, 0.0007277600000000, 0.0031330700000000 ] - [ 0.0000000000000000, 0.0005348400000000, 0.0029248500000000 ] - [ 0.0000000000000000, -0.0005348400000000, 0.0029248500000000 ] - [ 0.0000000000000000, -0.0006970500000000, 0.0009523900000000 ] - [ 0.0000000000000000, 0.0008059100000000, 0.0016072200000000 ] - [ 0.0000000000000000, -0.0008059100000000, 0.0016072200000000 ] - [ 0.0000000000000000, 0.0006970500000000, 0.0009523900000000 ] - [ -0.0009052100000000, -0.0004357300000000, 0.0015231900000000 ] - [ -0.0007952000000000, 0.0006736100000000, 0.0016238900000000 ] - [ 0.0007952000000000, -0.0006736100000000, 0.0016238900000000 ] - [ 0.0009052100000000, 0.0004357300000000, 0.0015231900000000 ] - [ -0.0007952000000000, -0.0006736100000000, 0.0016238900000000 ] - [ -0.0009052100000000, 0.0004357300000000, 0.0015231900000000 ] - [ 0.0009052100000000, -0.0004357300000000, 0.0015231900000000 ] - [ 0.0007952000000000, 0.0006736100000000, 0.0016238900000000 ]- atom: 15 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0003084200000000, 0.0000094100000000, -0.0001457000000000 ] - [ -0.0000000300000000, 0.0000053800000000, 0.0001405300000000 ] - [ -0.0000000300000000, -0.0000053800000000, 0.0001405300000000 ] - [ -0.0003084200000000, -0.0000094100000000, -0.0001457000000000 ] - [ 0.0004563300000000, -0.0001765700000000, -0.0001863400000000 ] - [ 0.0015074100000000, -0.0001914300000000, 0.0001878700000000 ] - [ 0.0015074100000000, 0.0001914300000000, 0.0001878700000000 ] - [ 0.0004563300000000, 0.0001765700000000, -0.0001863400000000 ] - [ 0.0013549500000000, -0.0000380300000000, -0.0004661100000000 ] - [ -0.0001728100000000, -0.0000536700000000, 0.0004601500000000 ] - [ -0.0001728100000000, 0.0000536700000000, 0.0004601500000000 ] - [ 0.0013549500000000, 0.0000380300000000, -0.0004661100000000 ] - [ 0.1120890800000000, 0.0000000000000000, -0.0009803900000000 ] - [ 0.0000277700000000, 0.0000000000000000, 0.0006382900000000 ] - [ -0.4733032000000000, 0.0000000000000000, 0.0100909900000000 ] - [ -0.0000123900000000, 0.0000000000000000, -0.0004264500000000 ] - [ 0.0000002700000000, 0.0000054300000000, -0.0001409200000000 ] - [ 0.0000553900000000, 0.0000057900000000, 0.0001412700000000 ] - [ 0.0000553900000000, -0.0000057900000000, 0.0001412700000000 ] - [ 0.0000002700000000, -0.0000054300000000, -0.0001409200000000 ] - [ 0.0000002300000000, -0.0001856000000000, -0.0001959700000000 ] - [ 0.0000000100000000, -0.0001855600000000, 0.0001954000000000 ] - [ 0.0000000100000000, 0.0001855600000000, 0.0001954000000000 ] - [ 0.0000002300000000, 0.0001856000000000, -0.0001959700000000 ] - [ 0.0000000500000000, -0.0000530700000000, -0.0004601200000000 ] - [ -0.0000004500000000, -0.0000531100000000, 0.0004597100000000 ] - [ -0.0000004500000000, 0.0000531100000000, 0.0004597100000000 ] - [ 0.0000000500000000, 0.0000530700000000, -0.0004601200000000 ] - [ 0.0000000800000000, 0.0000000000000000, -0.0006375800000000 ] - [ -0.0000001000000000, 0.0000000000000000, 0.0006371100000000 ] - [ 0.0000000500000000, 0.0000000000000000, 0.0004267100000000 ] - [ -0.0000000800000000, 0.0000000000000000, -0.0004273500000000 ] - [ 0.0004349400000000, 0.0000000000000000, 0.0004534100000000 ] - [ 0.0000000400000000, 0.0000000000000000, -0.0004514500000000 ] - [ 0.0228186700000000, -0.0005806100000000, -0.0007284900000000 ] - [ -0.0000145800000000, 0.0002621100000000, 0.0001166800000000 ] - [ -0.0000145800000000, -0.0002621100000000, 0.0001166800000000 ] - [ 0.0228186700000000, 0.0005806100000000, -0.0007284900000000 ] - [ 0.1745804900000000, 0.0000000000000000, -0.1147239100000000 ] - [ 0.0001592900000000, 0.0000000000000000, 0.0000672900000000 ] - [ -0.0001513900000000, 0.0000000000000000, 0.0000843700000000 ] - [ 0.1653167700000000, 0.0000000000000000, 0.1064914800000000 ] - [ 0.0000002100000000, 0.0001440200000000, -0.0000002300000000 ] - [ 0.0000002200000000, -0.0001436600000000, 0.0000002700000000 ] - [ 0.0000002100000000, -0.0001440200000000, -0.0000002300000000 ] - [ 0.0000002200000000, 0.0001436600000000, 0.0000002700000000 ] - [ -0.0004688100000000, 0.0000237500000000, 0.0000949400000000 ] - [ 0.0000138800000000, 0.0000176700000000, -0.0000769700000000 ] - [ 0.0000138800000000, -0.0000176700000000, -0.0000769700000000 ] - [ -0.0004688100000000, -0.0000237500000000, 0.0000949400000000 ] - [ -0.0011285600000000, -0.0000051900000000, 0.0000005000000000 ] - [ -0.0011285600000000, 0.0000051900000000, 0.0000005000000000 ] - [ -0.0154008200000000, 0.0001260800000000, -0.0002778800000000 ] - [ 0.0000957200000000, 0.0000981100000000, 0.0002568400000000 ] - [ 0.0000957200000000, -0.0000981100000000, 0.0002568400000000 ] - [ -0.0154008200000000, -0.0001260800000000, -0.0002778800000000 ] - [ 0.0010072800000000, 0.0014087400000000, -0.0004499700000000 ] - [ -0.0001683400000000, 0.0002968700000000, 0.0000100300000000 ] - [ -0.0003936100000000, 0.0002564200000000, 0.0000031800000000 ] - [ 0.0012010800000000, 0.0013472400000000, 0.0004373800000000 ] - [ -0.0001683400000000, -0.0002968700000000, 0.0000100300000000 ] - [ 0.0010072800000000, -0.0014087400000000, -0.0004499700000000 ] - [ 0.0012010800000000, -0.0013472400000000, 0.0004373800000000 ] - [ -0.0003936100000000, -0.0002564200000000, 0.0000031800000000 ] - [ -0.0000002000000000, 0.0000000000000000, 0.0004514800000000 ] - [ -0.0000158400000000, 0.0000000000000000, -0.0004514300000000 ] - [ 0.0000006000000000, 0.0002620300000000, -0.0001168000000000 ] - [ -0.0000006000000000, 0.0002618300000000, 0.0001170300000000 ] - [ -0.0000006000000000, -0.0002618300000000, 0.0001170300000000 ] - [ 0.0000006000000000, -0.0002620300000000, -0.0001168000000000 ] - [ -0.0001554000000000, 0.0000000000000000, -0.0000759900000000 ] - [ 0.0001551700000000, 0.0000000000000000, 0.0000762600000000 ] - [ -0.0001550400000000, 0.0000000000000000, 0.0000765600000000 ] - [ 0.0001552000000000, 0.0000000000000000, -0.0000762200000000 ] - [ -0.0000066100000000, 0.0001189300000000, 0.0000405800000000 ] - [ -0.0000039600000000, -0.0001675900000000, -0.0000395000000000 ] - [ -0.0000066100000000, -0.0001189300000000, 0.0000405800000000 ] - [ -0.0000039600000000, 0.0001675900000000, -0.0000395000000000 ] - [ -0.0000000100000000, 0.0000176000000000, 0.0000771900000000 ] - [ -0.0000068700000000, 0.0000175200000000, -0.0000769200000000 ] - [ -0.0000068700000000, -0.0000175200000000, -0.0000769200000000 ] - [ -0.0000000100000000, -0.0000176000000000, 0.0000771900000000 ] - [ -0.0000000400000000, 0.0000000700000000, 0.0000002400000000 ] - [ -0.0000000400000000, -0.0000000700000000, 0.0000002400000000 ] - [ -0.0000003000000000, 0.0000986400000000, -0.0002584500000000 ] - [ 0.0000002800000000, 0.0000987900000000, 0.0002583800000000 ] - [ 0.0000002800000000, -0.0000987900000000, 0.0002583800000000 ] - [ -0.0000003000000000, -0.0000986400000000, -0.0002584500000000 ] - [ -0.0001131800000000, 0.0000206500000000, -0.0000059600000000 ] - [ 0.0001129200000000, 0.0000206900000000, 0.0000064500000000 ] - [ -0.0001132700000000, -0.0000204300000000, 0.0000060200000000 ] - [ 0.0001131500000000, -0.0000206800000000, -0.0000058900000000 ] - [ 0.0001129200000000, -0.0000206900000000, 0.0000064500000000 ] - [ -0.0001131800000000, -0.0000206500000000, -0.0000059600000000 ] - [ 0.0001131500000000, 0.0000206800000000, -0.0000058900000000 ] - [ -0.0001132700000000, 0.0000204300000000, 0.0000060200000000 ]- atom: 15 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0000000000000000, -0.0169622800000000, 0.0145121000000000 ] - [ 0.0000000000000000, 0.0022236900000000, 0.0016936000000000 ] - [ 0.0000000000000000, 0.0022121500000000, -0.0014195100000000 ] - [ 0.0000000000000000, -0.0169635000000000, -0.0148020900000000 ] - [ 0.0000000000000000, 0.0172908500000000, -0.0128045300000000 ] - [ 0.0000000000000000, -0.0052917600000000, 0.0114577300000000 ] - [ 0.0000000000000000, -0.0049853400000000, -0.0111071000000000 ] - [ 0.0000000000000000, 0.0176403700000000, 0.0124003000000000 ] - [ 0.0000000000000000, 0.0525294800000000, 0.0334035500000000 ] - [ 0.0000000000000000, 0.0049802200000000, 0.0040596800000000 ] - [ 0.0000000000000000, 0.0050815400000000, -0.0031537300000000 ] - [ 0.0000000000000000, 0.0524427800000000, -0.0339290100000000 ] - [ 0.0000000000000000, -0.0068887000000000, -0.0006283900000000 ] - [ 0.0000000000000000, 0.0181120900000000, 0.0006317300000000 ] - [ 0.0000000000000000, -0.5191242700000001, -0.0093603000000000 ] - [ 0.0000000000000000, 0.0067113000000000, -0.0004348600000000 ] - [ 0.0000000000000000, 0.0006936200000000, 0.0005075700000000 ] - [ 0.0000000000000000, -0.0042508800000000, 0.0050542000000000 ] - [ 0.0000000000000000, -0.0042576400000000, -0.0047807600000000 ] - [ 0.0000000000000000, 0.0006810600000000, -0.0007948600000000 ] - [ 0.0000000000000000, -0.0004191200000000, -0.0003903700000000 ] - [ 0.0000000000000000, 0.0003102900000000, 0.0009008400000000 ] - [ 0.0000000000000000, 0.0006831500000000, -0.0005131100000000 ] - [ 0.0000000000000000, -0.0000491000000000, -0.0000045200000000 ] - [ 0.0000000000000000, 0.0001080800000000, -0.0002708600000000 ] - [ 0.0000000000000000, -0.0003782700000000, 0.0023180800000000 ] - [ 0.0000000000000000, -0.0002695800000000, -0.0014039000000000 ] - [ 0.0000000000000000, 0.0002132700000000, -0.0006535900000000 ] - [ 0.0000000000000000, 0.0007840800000000, -0.0006386300000000 ] - [ 0.0000000000000000, -0.0003606700000000, 0.0006355900000000 ] - [ 0.0000000000000000, 0.0003514000000000, 0.0004255000000000 ] - [ 0.0000000000000000, -0.0012046100000000, -0.0004292800000000 ] - [ 0.0000000000000000, 0.0144820500000000, 0.0004535900000000 ] - [ 0.0000000000000000, -0.0018115100000000, -0.0004502100000000 ] - [ 0.0000000000000000, 0.2049197300000000, 0.1260823400000000 ] - [ 0.0000000000000000, -0.0035931400000000, 0.0007853900000000 ] - [ 0.0000000000000000, -0.0041110800000000, -0.0005436500000000 ] - [ 0.0000000000000000, 0.1949948600000000, -0.1180303700000000 ] - [ -0.0009973900000000, 0.0301800100000000, 0.0005112500000000 ] - [ 0.0001535700000000, -0.0039672800000000, 0.0000788700000000 ] - [ -0.0001535700000000, -0.0039672800000000, 0.0000788700000000 ] - [ 0.0009973900000000, 0.0301800100000000, 0.0005112500000000 ] - [ 0.0002409700000000, -0.0002696900000000, -0.0004874700000000 ] - [ 0.0002427000000000, -0.0005569200000000, 0.0004904300000000 ] - [ -0.0002427000000000, -0.0005569200000000, 0.0004904300000000 ] - [ -0.0002409700000000, -0.0002696900000000, -0.0004874700000000 ] - [ 0.0000000000000000, 0.0000833700000000, -0.0212718000000000 ] - [ 0.0000000000000000, -0.0015051200000000, -0.0023448300000000 ] - [ 0.0000000000000000, -0.0015406500000000, 0.0021973700000000 ] - [ 0.0000000000000000, 0.0000044400000000, 0.0214688700000000 ] - [ 0.0000000000000000, -0.0007069300000000, 0.0091309000000000 ] - [ 0.0000000000000000, -0.0007118200000000, -0.0091025300000000 ] - [ 0.0000000000000000, 0.0085448300000000, -0.0031456200000000 ] - [ 0.0000000000000000, -0.0139608400000000, -0.0037740300000000 ] - [ 0.0000000000000000, -0.0141640200000000, 0.0042973900000000 ] - [ 0.0000000000000000, 0.0082576800000000, 0.0025866800000000 ] - [ -0.0089085000000000, -0.0135713800000000, 0.0011474400000000 ] - [ 0.0013240500000000, -0.0008540100000000, -0.0028991000000000 ] - [ 0.0010927200000000, -0.0008849200000000, 0.0029186100000000 ] - [ -0.0086782900000000, -0.0136069500000000, -0.0011912400000000 ] - [ -0.0010927200000000, -0.0008849200000000, 0.0029186100000000 ] - [ 0.0086782900000000, -0.0136069500000000, -0.0011912400000000 ] - [ 0.0089085000000000, -0.0135713800000000, 0.0011474400000000 ] - [ -0.0013240500000000, -0.0008540100000000, -0.0028991000000000 ] - [ 0.0000000000000000, -0.0007623300000000, 0.0004525600000000 ] - [ 0.0000000000000000, 0.0051008000000000, -0.0004498200000000 ] - [ 0.0000000000000000, 0.0000405400000000, -0.0002208500000000 ] - [ 0.0000000000000000, 0.0011192400000000, -0.0004879700000000 ] - [ 0.0000000000000000, 0.0005959500000000, 0.0007241900000000 ] - [ 0.0000000000000000, -0.0004839800000000, -0.0000114300000000 ] - [ -0.0001558000000000, -0.0001753700000000, -0.0000751100000000 ] - [ 0.0001546700000000, 0.0002332600000000, 0.0000769500000000 ] - [ -0.0001546700000000, 0.0002332600000000, 0.0000769500000000 ] - [ 0.0001558000000000, -0.0001753700000000, -0.0000751100000000 ] - [ 0.0019557700000000, 0.0030464000000000, -0.0037780600000000 ] - [ 0.0019600500000000, 0.0027558600000000, 0.0037827500000000 ] - [ -0.0019600500000000, 0.0027558600000000, 0.0037827500000000 ] - [ -0.0019557700000000, 0.0030464000000000, -0.0037780600000000 ] - [ 0.0000000000000000, -0.0000371000000000, -0.0001422000000000 ] - [ 0.0000000000000000, 0.0000777500000000, -0.0020238600000000 ] - [ 0.0000000000000000, 0.0000395600000000, 0.0018756500000000 ] - [ 0.0000000000000000, -0.0000707800000000, 0.0003002500000000 ] - [ 0.0000000000000000, 0.0000546000000000, 0.0003520500000000 ] - [ 0.0000000000000000, 0.0000542900000000, -0.0003491200000000 ] - [ 0.0000000000000000, -0.0004405100000000, -0.0000505300000000 ] - [ 0.0000000000000000, 0.0003315800000000, 0.0002862400000000 ] - [ 0.0000000000000000, 0.0001331900000000, 0.0002312200000000 ] - [ 0.0000000000000000, -0.0006364600000000, -0.0004651400000000 ] - [ -0.0001247600000000, 0.0000272400000000, -0.0000044100000000 ] - [ 0.0003375400000000, -0.0001363200000000, -0.0004937100000000 ] - [ 0.0001123800000000, -0.0001781500000000, 0.0005082600000000 ] - [ 0.0001026300000000, -0.0000127300000000, -0.0000063700000000 ] - [ -0.0001123800000000, -0.0001781500000000, 0.0005082600000000 ] - [ -0.0001026300000000, -0.0000127300000000, -0.0000063700000000 ] - [ 0.0001247600000000, 0.0000272400000000, -0.0000044100000000 ] - [ -0.0003375400000000, -0.0001363200000000, -0.0004937100000000 ]- atom: 15 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0042406200000000, 0.0071447500000000 ] - [ 0.0000000000000000, 0.0013731500000000, 0.0039176300000000 ] - [ 0.0000000000000000, -0.0013731500000000, 0.0039176300000000 ] - [ 0.0000000000000000, -0.0042406200000000, 0.0071447500000000 ] - [ 0.0000000000000000, 0.0022458000000000, -0.0246546700000000 ] - [ 0.0000000000000000, 0.0248025500000000, -0.0072160300000000 ] - [ 0.0000000000000000, -0.0248025500000000, -0.0072160300000000 ] - [ 0.0000000000000000, -0.0022458000000000, -0.0246546700000000 ] - [ 0.0000000000000000, 0.0338046000000000, 0.0081064000000000 ] - [ 0.0000000000000000, 0.0078737500000000, 0.0023898600000000 ] - [ 0.0000000000000000, -0.0078737500000000, 0.0023898600000000 ] - [ 0.0000000000000000, -0.0338046000000000, 0.0081064000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0446376900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0087214600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.5122577699999999 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0092151200000000 ] - [ 0.0000000000000000, -0.0004099300000000, 0.0042408300000000 ] - [ 0.0000000000000000, 0.0013571600000000, 0.0061761400000000 ] - [ 0.0000000000000000, -0.0013571600000000, 0.0061761400000000 ] - [ 0.0000000000000000, 0.0004099300000000, 0.0042408300000000 ] - [ 0.0000000000000000, -0.0008049300000000, 0.0037856900000000 ] - [ 0.0000000000000000, 0.0007112500000000, 0.0041343000000000 ] - [ 0.0000000000000000, -0.0007112500000000, 0.0041343000000000 ] - [ 0.0000000000000000, 0.0008049300000000, 0.0037856900000000 ] - [ 0.0000000000000000, -0.0005035600000000, 0.0041250300000000 ] - [ 0.0000000000000000, 0.0008754100000000, 0.0056003700000000 ] - [ 0.0000000000000000, -0.0008754100000000, 0.0056003700000000 ] - [ 0.0000000000000000, 0.0005035600000000, 0.0041250300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0026226700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0042609700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0040499700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0035696700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0045491700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0014093300000000 ] - [ 0.0000000000000000, 0.1294886400000000, 0.1214189300000000 ] - [ 0.0000000000000000, -0.0040684100000000, 0.0030138200000000 ] - [ 0.0000000000000000, 0.0040684100000000, 0.0030138200000000 ] - [ 0.0000000000000000, -0.1294886400000000, 0.1214189300000000 ] - [ -0.1282190500000000, 0.0000000000000000, 0.1141695000000000 ] - [ -0.0026751100000000, 0.0000000000000000, 0.0048871600000000 ] - [ 0.0026751100000000, 0.0000000000000000, 0.0048871600000000 ] - [ 0.1282190500000000, 0.0000000000000000, 0.1141695000000000 ] - [ 0.0011163800000000, -0.0000614900000000, -0.0019696500000000 ] - [ -0.0011163800000000, 0.0000614900000000, -0.0019696500000000 ] - [ 0.0011163800000000, 0.0000614900000000, -0.0019696500000000 ] - [ -0.0011163800000000, -0.0000614900000000, -0.0019696500000000 ] - [ 0.0000000000000000, -0.0037351200000000, -0.0028239200000000 ] - [ 0.0000000000000000, -0.0021115400000000, -0.0028567700000000 ] - [ 0.0000000000000000, 0.0021115400000000, -0.0028567700000000 ] - [ 0.0000000000000000, 0.0037351200000000, -0.0028239200000000 ] - [ 0.0000000000000000, 0.0085928000000000, 0.0164468600000000 ] - [ 0.0000000000000000, -0.0085928000000000, 0.0164468600000000 ] - [ 0.0000000000000000, 0.0184307700000000, -0.0102749200000000 ] - [ 0.0000000000000000, 0.0035431500000000, 0.0056346300000000 ] - [ 0.0000000000000000, -0.0035431500000000, 0.0056346300000000 ] - [ 0.0000000000000000, -0.0184307700000000, -0.0102749200000000 ] - [ -0.0097610700000000, -0.0105243100000000, 0.0060849500000000 ] - [ 0.0021294800000000, -0.0056445700000000, -0.0004675100000000 ] - [ -0.0021294800000000, 0.0056445700000000, -0.0004675100000000 ] - [ 0.0097610700000000, 0.0105243100000000, 0.0060849500000000 ] - [ 0.0021294800000000, 0.0056445700000000, -0.0004675100000000 ] - [ -0.0097610700000000, 0.0105243100000000, 0.0060849500000000 ] - [ 0.0097610700000000, -0.0105243100000000, 0.0060849500000000 ] - [ -0.0021294800000000, -0.0056445700000000, -0.0004675100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0010272400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0024214700000000 ] - [ 0.0000000000000000, -0.0006221300000000, -0.0019842400000000 ] - [ 0.0000000000000000, 0.0011320400000000, -0.0019542000000000 ] - [ 0.0000000000000000, -0.0011320400000000, -0.0019542000000000 ] - [ 0.0000000000000000, 0.0006221300000000, -0.0019842400000000 ] - [ 0.0009174700000000, 0.0000000000000000, -0.0018323100000000 ] - [ 0.0013278100000000, 0.0000000000000000, -0.0018505400000000 ] - [ -0.0013278100000000, 0.0000000000000000, -0.0018505400000000 ] - [ -0.0009174700000000, 0.0000000000000000, -0.0018323100000000 ] - [ 0.0018661000000000, -0.0007308400000000, -0.0029006800000000 ] - [ -0.0018661000000000, 0.0007308400000000, -0.0029006800000000 ] - [ 0.0018661000000000, 0.0007308400000000, -0.0029006800000000 ] - [ -0.0018661000000000, -0.0007308400000000, -0.0029006800000000 ] - [ 0.0000000000000000, 0.0010002400000000, -0.0035064900000000 ] - [ 0.0000000000000000, -0.0015733200000000, -0.0044950100000000 ] - [ 0.0000000000000000, 0.0015733200000000, -0.0044950100000000 ] - [ 0.0000000000000000, -0.0010002400000000, -0.0035064900000000 ] - [ 0.0000000000000000, -0.0005543000000000, -0.0032072500000000 ] - [ 0.0000000000000000, 0.0005543000000000, -0.0032072500000000 ] - [ 0.0000000000000000, 0.0010211900000000, -0.0015787600000000 ] - [ 0.0000000000000000, -0.0007352400000000, -0.0012048700000000 ] - [ 0.0000000000000000, 0.0007352400000000, -0.0012048700000000 ] - [ 0.0000000000000000, -0.0010211900000000, -0.0015787600000000 ] - [ 0.0007968700000000, 0.0005903100000000, -0.0017166700000000 ] - [ 0.0011415600000000, -0.0007513100000000, -0.0017912500000000 ] - [ -0.0011415600000000, 0.0007513100000000, -0.0017912500000000 ] - [ -0.0007968700000000, -0.0005903100000000, -0.0017166700000000 ] - [ 0.0011415600000000, 0.0007513100000000, -0.0017912500000000 ] - [ 0.0007968700000000, -0.0005903100000000, -0.0017166700000000 ] - [ -0.0007968700000000, 0.0005903100000000, -0.0017166700000000 ] - [ -0.0011415600000000, -0.0007513100000000, -0.0017912500000000 ]- atom: 15 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0000000000000000, -0.0041703500000000, -0.0074078500000000 ] - [ 0.0000000000000000, -0.0013620100000000, -0.0036274400000000 ] - [ 0.0000000000000000, 0.0013620100000000, -0.0036274400000000 ] - [ 0.0000000000000000, 0.0041703500000000, -0.0074078500000000 ] - [ 0.0000000000000000, -0.0026409700000000, 0.0242724200000000 ] - [ 0.0000000000000000, -0.0251939600000000, 0.0076456800000000 ] - [ 0.0000000000000000, 0.0251939600000000, 0.0076456800000000 ] - [ 0.0000000000000000, 0.0026409700000000, 0.0242724200000000 ] - [ 0.0000000000000000, -0.0336744100000000, -0.0091110000000000 ] - [ 0.0000000000000000, -0.0079905300000000, -0.0014580700000000 ] - [ 0.0000000000000000, 0.0079905300000000, -0.0014580700000000 ] - [ 0.0000000000000000, 0.0336744100000000, -0.0091110000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0458356800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100061700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.5126835400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0083779900000000 ] - [ 0.0000000000000000, 0.0004196600000000, -0.0045147600000000 ] - [ 0.0000000000000000, -0.0013406500000000, -0.0058817400000000 ] - [ 0.0000000000000000, 0.0013406500000000, -0.0058817400000000 ] - [ 0.0000000000000000, -0.0004196600000000, -0.0045147600000000 ] - [ 0.0000000000000000, 0.0004323900000000, -0.0041719800000000 ] - [ 0.0000000000000000, -0.0010796400000000, -0.0037386300000000 ] - [ 0.0000000000000000, 0.0010796400000000, -0.0037386300000000 ] - [ 0.0000000000000000, -0.0004323900000000, -0.0041719800000000 ] - [ 0.0000000000000000, 0.0003957000000000, -0.0050381200000000 ] - [ 0.0000000000000000, -0.0009788000000000, -0.0046726300000000 ] - [ 0.0000000000000000, 0.0009788000000000, -0.0046726300000000 ] - [ 0.0000000000000000, -0.0003957000000000, -0.0050381200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0038941200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0029822900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0031915900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0044185400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0054052300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005030200000000 ] - [ 0.0000000000000000, -0.1238948200000000, -0.1196784100000000 ] - [ 0.0000000000000000, 0.0045990100000000, -0.0027879900000000 ] - [ 0.0000000000000000, -0.0045990100000000, -0.0027879900000000 ] - [ 0.0000000000000000, 0.1238948200000000, -0.1196784100000000 ] - [ 0.1326864800000000, 0.0000000000000000, -0.1160489600000000 ] - [ 0.0029902300000000, 0.0000000000000000, -0.0047423200000000 ] - [ -0.0029902300000000, 0.0000000000000000, -0.0047423200000000 ] - [ -0.1326864800000000, 0.0000000000000000, -0.1160489600000000 ] - [ -0.0011140800000000, 0.0003490300000000, 0.0019659600000000 ] - [ 0.0011140800000000, -0.0003490300000000, 0.0019659600000000 ] - [ -0.0011140800000000, -0.0003490300000000, 0.0019659600000000 ] - [ 0.0011140800000000, 0.0003490300000000, 0.0019659600000000 ] - [ 0.0000000000000000, 0.0037271800000000, 0.0030140100000000 ] - [ 0.0000000000000000, 0.0021455800000000, 0.0026952000000000 ] - [ 0.0000000000000000, -0.0021455800000000, 0.0026952000000000 ] - [ 0.0000000000000000, -0.0037271800000000, 0.0030140100000000 ] - [ 0.0000000000000000, -0.0085926200000000, -0.0164722900000000 ] - [ 0.0000000000000000, 0.0085926200000000, -0.0164722900000000 ] - [ 0.0000000000000000, -0.0182293800000000, 0.0096991200000000 ] - [ 0.0000000000000000, -0.0033575200000000, -0.0051200400000000 ] - [ 0.0000000000000000, 0.0033575200000000, -0.0051200400000000 ] - [ 0.0000000000000000, 0.0182293800000000, 0.0096991200000000 ] - [ 0.0095527000000000, 0.0105955900000000, -0.0060808100000000 ] - [ -0.0018980000000000, 0.0056910200000000, 0.0004723200000000 ] - [ 0.0018980000000000, -0.0056910200000000, 0.0004723200000000 ] - [ -0.0095527000000000, -0.0105955900000000, -0.0060808100000000 ] - [ -0.0018980000000000, -0.0056910200000000, 0.0004723200000000 ] - [ 0.0095527000000000, -0.0105955900000000, -0.0060808100000000 ] - [ -0.0095527000000000, 0.0105955900000000, -0.0060808100000000 ] - [ 0.0018980000000000, 0.0056910200000000, 0.0004723200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0019278400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0015148400000000 ] - [ 0.0000000000000000, 0.0011454400000000, 0.0017480500000000 ] - [ 0.0000000000000000, -0.0006072300000000, 0.0021853300000000 ] - [ 0.0000000000000000, 0.0006072300000000, 0.0021853300000000 ] - [ 0.0000000000000000, -0.0011454400000000, 0.0017480500000000 ] - [ -0.0012265600000000, 0.0000000000000000, 0.0016781300000000 ] - [ -0.0010160300000000, 0.0000000000000000, 0.0020005300000000 ] - [ 0.0010160300000000, 0.0000000000000000, 0.0020005300000000 ] - [ 0.0012265600000000, 0.0000000000000000, 0.0016781300000000 ] - [ -0.0018606300000000, 0.0010087900000000, 0.0028957000000000 ] - [ 0.0018606300000000, -0.0010087900000000, 0.0028957000000000 ] - [ -0.0018606300000000, -0.0010087900000000, 0.0028957000000000 ] - [ 0.0018606300000000, 0.0010087900000000, 0.0028957000000000 ] - [ 0.0000000000000000, -0.0009634700000000, 0.0036549000000000 ] - [ 0.0000000000000000, 0.0016039600000000, 0.0043333100000000 ] - [ 0.0000000000000000, -0.0016039600000000, 0.0043333100000000 ] - [ 0.0000000000000000, 0.0009634700000000, 0.0036549000000000 ] - [ 0.0000000000000000, 0.0005540000000000, 0.0032036100000000 ] - [ 0.0000000000000000, -0.0005540000000000, 0.0032036100000000 ] - [ 0.0000000000000000, -0.0008221000000000, 0.0010612600000000 ] - [ 0.0000000000000000, 0.0009312500000000, 0.0017189200000000 ] - [ 0.0000000000000000, -0.0009312500000000, 0.0017189200000000 ] - [ 0.0000000000000000, 0.0008221000000000, 0.0010612600000000 ] - [ -0.0010217800000000, -0.0005483300000000, 0.0017018600000000 ] - [ -0.0009135700000000, 0.0007902300000000, 0.0018017700000000 ] - [ 0.0009135700000000, -0.0007902300000000, 0.0018017700000000 ] - [ 0.0010217800000000, 0.0005483300000000, 0.0017018600000000 ] - [ -0.0009135700000000, -0.0007902300000000, 0.0018017700000000 ] - [ -0.0010217800000000, 0.0005483300000000, 0.0017018600000000 ] - [ 0.0010217800000000, -0.0005483300000000, 0.0017018600000000 ] - [ 0.0009135700000000, 0.0007902300000000, 0.0018017700000000 ]- atom: 33 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0276808300000000, -0.0005584200000000, -0.0003747900000000 ] - [ -0.0000001500000000, 0.0000055500000000, 0.0001412700000000 ] - [ -0.0000001500000000, -0.0000055500000000, 0.0001412700000000 ] - [ 0.0276808300000000, 0.0005584200000000, -0.0003747900000000 ] - [ 0.0000248400000000, -0.0001868100000000, -0.0001969800000000 ] - [ -0.0000027500000000, -0.0001839300000000, 0.0001955500000000 ] - [ -0.0000027500000000, 0.0001839300000000, 0.0001955500000000 ] - [ 0.0000248400000000, 0.0001868100000000, -0.0001969800000000 ] - [ 0.0002579300000000, -0.0000624400000000, -0.0004787900000000 ] - [ 0.0000000400000000, -0.0000525900000000, 0.0004603400000000 ] - [ 0.0000000400000000, 0.0000525900000000, 0.0004603400000000 ] - [ 0.0002579300000000, 0.0000624400000000, -0.0004787900000000 ] - [ -0.0000627200000000, 0.0000000000000000, -0.0006342700000000 ] - [ -0.0000011200000000, 0.0000000000000000, 0.0006362800000000 ] - [ 0.0004341600000000, 0.0000000000000000, 0.0004318600000000 ] - [ -0.0000006100000000, 0.0000000000000000, -0.0004276800000000 ] - [ -0.0000001300000000, 0.0000052400000000, -0.0001401000000000 ] - [ -0.0157674800000000, -0.0000069000000000, 0.0001423100000000 ] - [ -0.0157674800000000, 0.0000069000000000, 0.0001423100000000 ] - [ -0.0000001300000000, -0.0000052400000000, -0.0001401000000000 ] - [ -0.0000002600000000, -0.0001856900000000, -0.0001953100000000 ] - [ -0.0000268000000000, -0.0001853900000000, 0.0001960500000000 ] - [ -0.0000268000000000, 0.0001853900000000, 0.0001960500000000 ] - [ -0.0000002600000000, 0.0001856900000000, -0.0001953100000000 ] - [ -0.0000006200000000, -0.0000533700000000, -0.0004593300000000 ] - [ 0.0001451000000000, -0.0000530800000000, 0.0004614100000000 ] - [ 0.0001451000000000, 0.0000530800000000, 0.0004614100000000 ] - [ -0.0000006200000000, 0.0000533700000000, -0.0004593300000000 ] - [ 0.0000012800000000, 0.0000000000000000, -0.0006370400000000 ] - [ 0.0000036900000000, 0.0000000000000000, 0.0006376500000000 ] - [ -0.0000000900000000, 0.0000000000000000, 0.0004273500000000 ] - [ -0.0000162800000000, 0.0000000000000000, -0.0004269100000000 ] - [ -0.0552056200000000, 0.0000000000000000, 0.0007489800000000 ] - [ -0.0000002700000000, 0.0000000000000000, -0.0004520800000000 ] - [ -0.0005218900000000, 0.0002675200000000, -0.0001164400000000 ] - [ -0.0000009600000000, 0.0002617900000000, 0.0001166700000000 ] - [ -0.0000009600000000, -0.0002617900000000, 0.0001166700000000 ] - [ -0.0005218900000000, -0.0002675200000000, -0.0001164400000000 ] - [ -0.0001630900000000, 0.0000000000000000, -0.0001082500000000 ] - [ 0.0001545900000000, 0.0000000000000000, 0.0000763400000000 ] - [ -0.0001552700000000, 0.0000000000000000, 0.0000763000000000 ] - [ 0.0001459800000000, 0.0000000000000000, -0.0000480100000000 ] - [ 0.0000002100000000, 0.0001435200000000, -0.0000005500000000 ] - [ -0.0000006500000000, -0.0001434700000000, -0.0000007100000000 ] - [ 0.0000002100000000, -0.0001435200000000, -0.0000005500000000 ] - [ -0.0000006500000000, 0.0001434700000000, -0.0000007100000000 ] - [ -0.0045916300000000, 0.0000186100000000, 0.0000847500000000 ] - [ -0.0000006100000000, 0.0000171600000000, -0.0000779400000000 ] - [ -0.0000006100000000, -0.0000171600000000, -0.0000779400000000 ] - [ -0.0045916300000000, -0.0000186100000000, 0.0000847500000000 ] - [ -0.0000146300000000, 0.0000007900000000, 0.0000007500000000 ] - [ -0.0000146300000000, -0.0000007900000000, 0.0000007500000000 ] - [ 0.0000059800000000, 0.0000999200000000, -0.0002593700000000 ] - [ -0.0000026400000000, 0.0000985800000000, 0.0002587000000000 ] - [ -0.0000026400000000, -0.0000985800000000, 0.0002587000000000 ] - [ 0.0000059800000000, -0.0000999200000000, -0.0002593700000000 ] - [ -0.0002147000000000, 0.0000038100000000, 0.0001190400000000 ] - [ 0.0001125400000000, 0.0000199900000000, 0.0000065300000000 ] - [ -0.0001140800000000, -0.0000201700000000, 0.0000048700000000 ] - [ 0.0000143600000000, -0.0000386500000000, -0.0001268400000000 ] - [ 0.0001125400000000, -0.0000199900000000, 0.0000065300000000 ] - [ -0.0002147000000000, -0.0000038100000000, 0.0001190400000000 ] - [ 0.0000143600000000, 0.0000386500000000, -0.0001268400000000 ] - [ -0.0001140800000000, 0.0000201700000000, 0.0000048700000000 ] - [ -0.0000004500000000, 0.0000000000000000, 0.0004510200000000 ] - [ 0.0029186600000000, 0.0000000000000000, -0.0004533400000000 ] - [ 0.0000002900000000, 0.0002619000000000, -0.0001174700000000 ] - [ -0.0000180800000000, 0.0002622800000000, 0.0001163900000000 ] - [ -0.0000180800000000, -0.0002622800000000, 0.0001163900000000 ] - [ 0.0000002900000000, -0.0002619000000000, -0.0001174700000000 ] - [ -0.0001552700000000, 0.0000000000000000, -0.0000769900000000 ] - [ 0.0001527400000000, 0.0000000000000000, 0.0000796800000000 ] - [ -0.0001578600000000, 0.0000000000000000, 0.0000718800000000 ] - [ 0.0001547300000000, 0.0000000000000000, -0.0000765100000000 ] - [ 0.0084722300000000, -0.0130124500000000, -0.0120331500000000 ] - [ 0.0084709400000000, -0.0134230800000000, 0.0121311000000000 ] - [ 0.0084722300000000, 0.0130124500000000, -0.0120331500000000 ] - [ 0.0084709400000000, 0.0134230800000000, 0.0121311000000000 ] - [ -0.0000002700000000, 0.0000177400000000, 0.0000761300000000 ] - [ 0.0019648200000000, 0.0000176200000000, -0.0000783300000000 ] - [ 0.0019648200000000, -0.0000176200000000, -0.0000783300000000 ] - [ -0.0000002700000000, -0.0000177400000000, 0.0000761300000000 ] - [ 0.0000057600000000, -0.0000000700000000, -0.0000007200000000 ] - [ 0.0000057600000000, 0.0000000700000000, -0.0000007200000000 ] - [ 0.0000042100000000, 0.0000988600000000, -0.0002589600000000 ] - [ -0.0000007200000000, 0.0000986400000000, 0.0002578000000000 ] - [ -0.0000007200000000, -0.0000986400000000, 0.0002578000000000 ] - [ 0.0000042100000000, -0.0000988600000000, -0.0002589600000000 ] - [ -0.0001130900000000, 0.0000207300000000, -0.0000069900000000 ] - [ 0.0001611600000000, -0.0000247400000000, -0.0000541400000000 ] - [ -0.0000654600000000, -0.0000653900000000, 0.0000654500000000 ] - [ 0.0001127500000000, -0.0000206700000000, -0.0000063000000000 ] - [ 0.0001611600000000, 0.0000247400000000, -0.0000541400000000 ] - [ -0.0001130900000000, -0.0000207300000000, -0.0000069900000000 ] - [ 0.0001127500000000, 0.0000206700000000, -0.0000063000000000 ] - [ -0.0000654600000000, 0.0000653900000000, 0.0000654500000000 ]- atom: 33 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0000000000000000, 0.2281602400000000, 0.0650030600000000 ] - [ 0.0000000000000000, -0.0005951500000000, -0.0001768000000000 ] - [ 0.0000000000000000, -0.0006065900000000, 0.0004648800000000 ] - [ 0.0000000000000000, 0.2140232900000000, -0.0600519700000000 ] - [ 0.0000000000000000, -0.0055747800000000, 0.0066219000000000 ] - [ 0.0000000000000000, 0.0015009600000000, -0.0029520100000000 ] - [ 0.0000000000000000, 0.0018782800000000, 0.0033506600000000 ] - [ 0.0000000000000000, -0.0052036500000000, -0.0070012000000000 ] - [ 0.0000000000000000, 0.0007910400000000, 0.0264533100000000 ] - [ 0.0000000000000000, -0.0012010700000000, -0.0003754500000000 ] - [ 0.0000000000000000, -0.0010930500000000, 0.0013021600000000 ] - [ 0.0000000000000000, 0.0008452400000000, -0.0272598600000000 ] - [ 0.0000000000000000, 0.0025400400000000, -0.0006412500000000 ] - [ 0.0000000000000000, -0.0069605300000000, 0.0006409600000000 ] - [ 0.0000000000000000, 0.0144800600000000, 0.0004124100000000 ] - [ 0.0000000000000000, -0.0018099200000000, -0.0004228100000000 ] - [ 0.0000000000000000, -0.0003643600000000, -0.0001516200000000 ] - [ 0.0000000000000000, 0.0220117700000000, -0.0242081400000000 ] - [ 0.0000000000000000, 0.0219640500000000, 0.0245251400000000 ] - [ 0.0000000000000000, -0.0003739600000000, -0.0001231100000000 ] - [ 0.0000000000000000, 0.0005045100000000, 0.0010420800000000 ] - [ 0.0000000000000000, -0.0022413300000000, -0.0027524400000000 ] - [ 0.0000000000000000, -0.0018736300000000, 0.0031482600000000 ] - [ 0.0000000000000000, 0.0008775800000000, -0.0014282500000000 ] - [ 0.0000000000000000, -0.0005197000000000, -0.0001782700000000 ] - [ 0.0000000000000000, 0.0007468400000000, -0.0079774300000000 ] - [ 0.0000000000000000, 0.0008465600000000, 0.0089076600000000 ] - [ 0.0000000000000000, -0.0004117100000000, -0.0007352600000000 ] - [ 0.0000000000000000, -0.0029388300000000, -0.0006357400000000 ] - [ 0.0000000000000000, 0.0010371200000000, 0.0006401800000000 ] - [ 0.0000000000000000, -0.0007615600000000, 0.0004290300000000 ] - [ 0.0000000000000000, 0.0051001500000000, -0.0004233700000000 ] - [ 0.0000000000000000, -0.5559286500000000, -0.0050136300000000 ] - [ 0.0000000000000000, 0.0005117400000000, -0.0004525600000000 ] - [ 0.0000000000000000, -0.0086640300000000, -0.0078289000000000 ] - [ 0.0000000000000000, 0.0012484600000000, -0.0000485300000000 ] - [ 0.0000000000000000, 0.0007216300000000, 0.0002787500000000 ] - [ 0.0000000000000000, -0.0091491000000000, 0.0075969600000000 ] - [ -0.0001556800000000, -0.0024677500000000, -0.0000741300000000 ] - [ 0.0001565200000000, 0.0013766900000000, 0.0000740400000000 ] - [ -0.0001565200000000, 0.0013766900000000, 0.0000740400000000 ] - [ 0.0001556800000000, -0.0024677500000000, -0.0000741300000000 ] - [ -0.0000354900000000, 0.0002825700000000, 0.0000793600000000 ] - [ -0.0000374100000000, -0.0000054800000000, -0.0000826000000000 ] - [ 0.0000374100000000, -0.0000054800000000, -0.0000826000000000 ] - [ 0.0000354900000000, 0.0002825700000000, 0.0000793600000000 ] - [ 0.0000000000000000, 0.0286996900000000, -0.0199021300000000 ] - [ 0.0000000000000000, 0.0003935200000000, 0.0004634800000000 ] - [ 0.0000000000000000, 0.0003589700000000, -0.0006229900000000 ] - [ 0.0000000000000000, 0.0281277000000000, 0.0198607400000000 ] - [ 0.0000000000000000, -0.0005865800000000, -0.0042478300000000 ] - [ 0.0000000000000000, -0.0005819400000000, 0.0042357500000000 ] - [ 0.0000000000000000, -0.0015162800000000, -0.0002875300000000 ] - [ 0.0000000000000000, 0.0052635800000000, 0.0020417100000000 ] - [ 0.0000000000000000, 0.0050696500000000, -0.0015271700000000 ] - [ 0.0000000000000000, -0.0017094600000000, -0.0002287400000000 ] - [ 0.0034156400000000, 0.0024538800000000, -0.0056732100000000 ] - [ -0.0003442600000000, 0.0001744000000000, 0.0007982600000000 ] - [ -0.0005714400000000, 0.0001324200000000, -0.0007886300000000 ] - [ 0.0036286800000000, 0.0024121100000000, 0.0056404100000000 ] - [ 0.0005714400000000, 0.0001324200000000, -0.0007886300000000 ] - [ -0.0036286800000000, 0.0024121100000000, 0.0056404100000000 ] - [ -0.0034156400000000, 0.0024538800000000, -0.0056732100000000 ] - [ 0.0003442600000000, 0.0001744000000000, 0.0007982600000000 ] - [ 0.0000000000000000, 0.0003523200000000, 0.0004504600000000 ] - [ 0.0000000000000000, -0.0215958300000000, -0.0004519900000000 ] - [ 0.0000000000000000, 0.0006802200000000, -0.0000339900000000 ] - [ 0.0000000000000000, -0.0033819900000000, 0.0028326900000000 ] - [ 0.0000000000000000, -0.0039054100000000, -0.0026022600000000 ] - [ 0.0000000000000000, 0.0001569700000000, -0.0002022400000000 ] - [ -0.0001547400000000, 0.0005788200000000, -0.0000770000000000 ] - [ 0.0001561700000000, -0.0009106700000000, 0.0000746300000000 ] - [ -0.0001561700000000, -0.0009106700000000, 0.0000746300000000 ] - [ 0.0001547400000000, 0.0005788200000000, -0.0000770000000000 ] - [ -0.0184292700000000, 0.0089834200000000, 0.0208525700000000 ] - [ -0.0183272000000000, 0.0086726300000000, -0.0206900200000000 ] - [ 0.0183272000000000, 0.0086726300000000, -0.0206900200000000 ] - [ 0.0184292700000000, 0.0089834200000000, 0.0208525700000000 ] - [ 0.0000000000000000, 0.0001727700000000, -0.0000805200000000 ] - [ 0.0000000000000000, 0.0004748100000000, 0.0107559800000000 ] - [ 0.0000000000000000, 0.0004378200000000, -0.0109128300000000 ] - [ 0.0000000000000000, 0.0001354000000000, 0.0002293700000000 ] - [ 0.0000000000000000, -0.0002520400000000, -0.0016838500000000 ] - [ 0.0000000000000000, -0.0002520300000000, 0.0016802600000000 ] - [ 0.0000000000000000, 0.0022112000000000, -0.0010430300000000 ] - [ 0.0000000000000000, -0.0005581700000000, 0.0002671300000000 ] - [ 0.0000000000000000, -0.0007537300000000, 0.0002473600000000 ] - [ 0.0000000000000000, 0.0020120200000000, 0.0005245200000000 ] - [ 0.0000637200000000, 0.0000775400000000, -0.0003084200000000 ] - [ -0.0009951700000000, 0.0008788200000000, 0.0022017800000000 ] - [ -0.0012232400000000, 0.0008399200000000, -0.0021916700000000 ] - [ 0.0002886400000000, 0.0000351200000000, 0.0002940500000000 ] - [ 0.0012232400000000, 0.0008399200000000, -0.0021916700000000 ] - [ -0.0002886400000000, 0.0000351200000000, 0.0002940500000000 ] - [ -0.0000637200000000, 0.0000775400000000, -0.0003084200000000 ] - [ 0.0009951700000000, 0.0008788200000000, 0.0022017800000000 ]- atom: 33 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0629904400000000, 0.0593117800000000 ] - [ 0.0000000000000000, -0.0003310700000000, -0.0019691900000000 ] - [ 0.0000000000000000, 0.0003310700000000, -0.0019691900000000 ] - [ 0.0000000000000000, -0.0629904400000000, 0.0593117800000000 ] - [ 0.0000000000000000, 0.0013066500000000, -0.0009320800000000 ] - [ 0.0000000000000000, -0.0012516400000000, -0.0013682800000000 ] - [ 0.0000000000000000, 0.0012516400000000, -0.0013682800000000 ] - [ 0.0000000000000000, -0.0013066500000000, -0.0009320800000000 ] - [ 0.0000000000000000, 0.0049860800000000, -0.0011061800000000 ] - [ 0.0000000000000000, -0.0006861200000000, -0.0015409700000000 ] - [ 0.0000000000000000, 0.0006861200000000, -0.0015409700000000 ] - [ 0.0000000000000000, -0.0049860800000000, -0.0011061800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0033895000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000919900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0045468400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0013840500000000 ] - [ 0.0000000000000000, 0.0003095700000000, -0.0022675500000000 ] - [ 0.0000000000000000, 0.0009866800000000, -0.0044651500000000 ] - [ 0.0000000000000000, -0.0009866800000000, -0.0044651500000000 ] - [ 0.0000000000000000, -0.0003095700000000, -0.0022675500000000 ] - [ 0.0000000000000000, 0.0002355500000000, -0.0019284000000000 ] - [ 0.0000000000000000, -0.0009612800000000, -0.0014654200000000 ] - [ 0.0000000000000000, 0.0009612800000000, -0.0014654200000000 ] - [ 0.0000000000000000, -0.0002355500000000, -0.0019284000000000 ] - [ 0.0000000000000000, 0.0002885500000000, -0.0025240600000000 ] - [ 0.0000000000000000, -0.0010859400000000, -0.0023290700000000 ] - [ 0.0000000000000000, 0.0010859400000000, -0.0023290700000000 ] - [ 0.0000000000000000, -0.0002885500000000, -0.0025240600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0018662900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0010816800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0010504100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0023958300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.1036661100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002386300000000 ] - [ 0.0000000000000000, -0.0023741800000000, 0.0020197400000000 ] - [ 0.0000000000000000, 0.0001500200000000, 0.0007260600000000 ] - [ 0.0000000000000000, -0.0001500200000000, 0.0007260600000000 ] - [ 0.0000000000000000, 0.0023741800000000, 0.0020197400000000 ] - [ -0.0011445800000000, 0.0000000000000000, 0.0015012200000000 ] - [ -0.0001146900000000, 0.0000000000000000, 0.0004893300000000 ] - [ 0.0001146900000000, 0.0000000000000000, 0.0004893300000000 ] - [ 0.0011445800000000, 0.0000000000000000, 0.0015012200000000 ] - [ -0.0005819100000000, 0.0001509200000000, 0.0010044700000000 ] - [ 0.0005819100000000, -0.0001509200000000, 0.0010044700000000 ] - [ -0.0005819100000000, -0.0001509200000000, 0.0010044700000000 ] - [ 0.0005819100000000, 0.0001509200000000, 0.0010044700000000 ] - [ 0.0000000000000000, -0.0111670900000000, -0.0043749600000000 ] - [ 0.0000000000000000, 0.0005858100000000, 0.0015764000000000 ] - [ 0.0000000000000000, -0.0005858100000000, 0.0015764000000000 ] - [ 0.0000000000000000, 0.0111670900000000, -0.0043749600000000 ] - [ 0.0000000000000000, -0.0002378100000000, 0.0008616200000000 ] - [ 0.0000000000000000, 0.0002378100000000, 0.0008616200000000 ] - [ 0.0000000000000000, -0.0008238800000000, 0.0006309900000000 ] - [ 0.0000000000000000, 0.0008404100000000, 0.0003809900000000 ] - [ 0.0000000000000000, -0.0008404100000000, 0.0003809900000000 ] - [ 0.0000000000000000, 0.0008238800000000, 0.0006309900000000 ] - [ -0.0009223600000000, -0.0011290200000000, 0.0001775400000000 ] - [ -0.0003691500000000, 0.0004927700000000, 0.0007706500000000 ] - [ 0.0003691500000000, -0.0004927700000000, 0.0007706500000000 ] - [ 0.0009223600000000, 0.0011290200000000, 0.0001775400000000 ] - [ -0.0003691500000000, -0.0004927700000000, 0.0007706500000000 ] - [ -0.0009223600000000, 0.0011290200000000, 0.0001775400000000 ] - [ 0.0009223600000000, -0.0011290200000000, 0.0001775400000000 ] - [ 0.0003691500000000, 0.0004927700000000, 0.0007706500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0011592000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003387200000000 ] - [ 0.0000000000000000, 0.0005860200000000, 0.0006747600000000 ] - [ 0.0000000000000000, -0.0000595400000000, 0.0011972900000000 ] - [ 0.0000000000000000, 0.0000595400000000, 0.0011972900000000 ] - [ 0.0000000000000000, -0.0005860200000000, 0.0006747600000000 ] - [ -0.0005899700000000, 0.0000000000000000, 0.0006258900000000 ] - [ -0.0004152100000000, 0.0000000000000000, 0.0010090200000000 ] - [ 0.0004152100000000, 0.0000000000000000, 0.0010090200000000 ] - [ 0.0005899700000000, 0.0000000000000000, 0.0006258900000000 ] - [ -0.0065103200000000, 0.0109367800000000, -0.0001982400000000 ] - [ 0.0065103200000000, -0.0109367800000000, -0.0001982400000000 ] - [ -0.0065103200000000, -0.0109367800000000, -0.0001982400000000 ] - [ 0.0065103200000000, 0.0109367800000000, -0.0001982400000000 ] - [ 0.0000000000000000, -0.0005057700000000, 0.0017497300000000 ] - [ 0.0000000000000000, 0.0011844000000000, 0.0030055100000000 ] - [ 0.0000000000000000, -0.0011844000000000, 0.0030055100000000 ] - [ 0.0000000000000000, 0.0005057700000000, 0.0017497300000000 ] - [ 0.0000000000000000, 0.0001550100000000, 0.0013689200000000 ] - [ 0.0000000000000000, -0.0001550100000000, 0.0013689200000000 ] - [ 0.0000000000000000, -0.0004675400000000, 0.0002127100000000 ] - [ 0.0000000000000000, 0.0005568500000000, 0.0009201900000000 ] - [ 0.0000000000000000, -0.0005568500000000, 0.0009201900000000 ] - [ 0.0000000000000000, 0.0004675400000000, 0.0002127100000000 ] - [ -0.0005438400000000, -0.0002917000000000, 0.0007601700000000 ] - [ -0.0004791700000000, 0.0006063800000000, 0.0008780300000000 ] - [ 0.0004791700000000, -0.0006063800000000, 0.0008780300000000 ] - [ 0.0005438400000000, 0.0002917000000000, 0.0007601700000000 ] - [ -0.0004791700000000, -0.0006063800000000, 0.0008780300000000 ] - [ -0.0005438400000000, 0.0002917000000000, 0.0007601700000000 ] - [ 0.0005438400000000, -0.0002917000000000, 0.0007601700000000 ] - [ 0.0004791700000000, 0.0006063800000000, 0.0008780300000000 ]- atom: 33 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0000000000000000, -0.0623614700000000, -0.0602037100000000 ] - [ 0.0000000000000000, 0.0003421100000000, 0.0022484600000000 ] - [ 0.0000000000000000, -0.0003421100000000, 0.0022484600000000 ] - [ 0.0000000000000000, 0.0623614700000000, -0.0602037100000000 ] - [ 0.0000000000000000, -0.0016778400000000, 0.0005347300000000 ] - [ 0.0000000000000000, 0.0008836000000000, 0.0017560500000000 ] - [ 0.0000000000000000, -0.0008836000000000, 0.0017560500000000 ] - [ 0.0000000000000000, 0.0016778400000000, 0.0005347300000000 ] - [ 0.0000000000000000, -0.0051062900000000, 0.0001293300000000 ] - [ 0.0000000000000000, 0.0005804100000000, 0.0024581800000000 ] - [ 0.0000000000000000, -0.0005804100000000, 0.0024581800000000 ] - [ 0.0000000000000000, 0.0051062900000000, 0.0001293300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0021173600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0011784200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0054102200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005260900000000 ] - [ 0.0000000000000000, -0.0002983900000000, 0.0019839800000000 ] - [ 0.0000000000000000, -0.0009805400000000, 0.0047467800000000 ] - [ 0.0000000000000000, 0.0009805400000000, 0.0047467800000000 ] - [ 0.0000000000000000, 0.0002983900000000, 0.0019839800000000 ] - [ 0.0000000000000000, -0.0006061900000000, 0.0015351900000000 ] - [ 0.0000000000000000, 0.0005896500000000, 0.0018545900000000 ] - [ 0.0000000000000000, -0.0005896500000000, 0.0018545900000000 ] - [ 0.0000000000000000, 0.0006061900000000, 0.0015351900000000 ] - [ 0.0000000000000000, -0.0003948700000000, 0.0016022000000000 ] - [ 0.0000000000000000, 0.0009778800000000, 0.0032485700000000 ] - [ 0.0000000000000000, -0.0009778800000000, 0.0032485700000000 ] - [ 0.0000000000000000, 0.0003948700000000, 0.0016022000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005899300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0023531400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0019024700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0015385500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.1060501800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0011429000000000 ] - [ 0.0000000000000000, 0.0029273000000000, -0.0022776600000000 ] - [ 0.0000000000000000, 0.0003733400000000, -0.0004930700000000 ] - [ 0.0000000000000000, -0.0003733400000000, -0.0004930700000000 ] - [ 0.0000000000000000, -0.0029273000000000, -0.0022776600000000 ] - [ 0.0008354000000000, 0.0000000000000000, -0.0016570600000000 ] - [ 0.0004241100000000, 0.0000000000000000, -0.0003368100000000 ] - [ -0.0004241100000000, 0.0000000000000000, -0.0003368100000000 ] - [ -0.0008354000000000, 0.0000000000000000, -0.0016570600000000 ] - [ 0.0005818000000000, 0.0001372500000000, -0.0010056800000000 ] - [ -0.0005818000000000, -0.0001372500000000, -0.0010056800000000 ] - [ 0.0005818000000000, -0.0001372500000000, -0.0010056800000000 ] - [ -0.0005818000000000, 0.0001372500000000, -0.0010056800000000 ] - [ 0.0000000000000000, 0.0112349600000000, 0.0045349000000000 ] - [ 0.0000000000000000, -0.0005509800000000, -0.0017313800000000 ] - [ 0.0000000000000000, 0.0005509800000000, -0.0017313800000000 ] - [ 0.0000000000000000, -0.0112349600000000, 0.0045349000000000 ] - [ 0.0000000000000000, 0.0002395500000000, -0.0008590800000000 ] - [ 0.0000000000000000, -0.0002395500000000, -0.0008590800000000 ] - [ 0.0000000000000000, 0.0010231300000000, -0.0011501100000000 ] - [ 0.0000000000000000, -0.0006423000000000, 0.0001360000000000 ] - [ 0.0000000000000000, 0.0006423000000000, 0.0001360000000000 ] - [ 0.0000000000000000, -0.0010231300000000, -0.0011501100000000 ] - [ 0.0006933600000000, 0.0011709100000000, -0.0001842900000000 ] - [ 0.0005953100000000, -0.0004520400000000, -0.0007594400000000 ] - [ -0.0005953100000000, 0.0004520400000000, -0.0007594400000000 ] - [ -0.0006933600000000, -0.0011709100000000, -0.0001842900000000 ] - [ 0.0005953100000000, 0.0004520400000000, -0.0007594400000000 ] - [ 0.0006933600000000, -0.0011709100000000, -0.0001842900000000 ] - [ -0.0006933600000000, 0.0011709100000000, -0.0001842900000000 ] - [ -0.0005953100000000, -0.0004520400000000, -0.0007594400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002575000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0012501300000000 ] - [ 0.0000000000000000, -0.0000617200000000, -0.0009099100000000 ] - [ 0.0000000000000000, 0.0005843500000000, -0.0009642500000000 ] - [ 0.0000000000000000, -0.0005843500000000, -0.0009642500000000 ] - [ 0.0000000000000000, 0.0000617200000000, -0.0009099100000000 ] - [ 0.0002794800000000, 0.0000000000000000, -0.0007797100000000 ] - [ 0.0007251000000000, 0.0000000000000000, -0.0008570800000000 ] - [ -0.0007251000000000, 0.0000000000000000, -0.0008570800000000 ] - [ -0.0002794800000000, 0.0000000000000000, -0.0007797100000000 ] - [ 0.0064164000000000, -0.0105168600000000, 0.0001943400000000 ] - [ -0.0064164000000000, 0.0105168600000000, 0.0001943400000000 ] - [ 0.0064164000000000, 0.0105168600000000, 0.0001943400000000 ] - [ -0.0064164000000000, -0.0105168600000000, 0.0001943400000000 ] - [ 0.0000000000000000, 0.0005412700000000, -0.0015963900000000 ] - [ 0.0000000000000000, -0.0011477600000000, -0.0031636200000000 ] - [ 0.0000000000000000, 0.0011477600000000, -0.0031636200000000 ] - [ 0.0000000000000000, -0.0005412700000000, -0.0015963900000000 ] - [ 0.0000000000000000, -0.0001550800000000, -0.0013698400000000 ] - [ 0.0000000000000000, 0.0001550800000000, -0.0013698400000000 ] - [ 0.0000000000000000, 0.0006644600000000, -0.0007312900000000 ] - [ 0.0000000000000000, -0.0003590600000000, -0.0004047500000000 ] - [ 0.0000000000000000, 0.0003590600000000, -0.0004047500000000 ] - [ 0.0000000000000000, -0.0006644600000000, -0.0007312900000000 ] - [ 0.0003174300000000, 0.0003329400000000, -0.0007734300000000 ] - [ 0.0007052700000000, -0.0005647700000000, -0.0008670700000000 ] - [ -0.0007052700000000, 0.0005647700000000, -0.0008670700000000 ] - [ -0.0003174300000000, -0.0003329400000000, -0.0007734300000000 ] - [ 0.0007052700000000, 0.0005647700000000, -0.0008670700000000 ] - [ 0.0003174300000000, -0.0003329400000000, -0.0007734300000000 ] - [ -0.0003174300000000, 0.0003329400000000, -0.0007734300000000 ] - [ -0.0007052700000000, -0.0005647700000000, -0.0008670700000000 ]- atom: 35 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0004193200000000, -0.0000146400000000, -0.0001330800000000 ] - [ -0.0000001000000000, 0.0000047900000000, 0.0001404500000000 ] - [ -0.0000004600000000, -0.0000056600000000, 0.0001414900000000 ] - [ 0.0001301300000000, -0.0000010800000000, -0.0001408500000000 ] - [ -0.0152947100000000, -0.0001945300000000, -0.0002076200000000 ] - [ -0.0000773900000000, -0.0001864400000000, 0.0001949600000000 ] - [ -0.0003589100000000, 0.0001854900000000, 0.0002002300000000 ] - [ 0.0001059500000000, 0.0001848000000000, -0.0001976400000000 ] - [ 0.0235898400000000, -0.0006985200000000, -0.0007296000000000 ] - [ -0.0000133100000000, -0.0000539100000000, 0.0004593600000000 ] - [ 0.0000503500000000, 0.0000520400000000, 0.0004608000000000 ] - [ -0.0003955500000000, 0.0000432000000000, -0.0004480000000000 ] - [ -0.0151111300000000, 0.0000093200000000, -0.0006405700000000 ] - [ 0.0001396700000000, -0.0000006600000000, 0.0006356800000000 ] - [ 0.0228167600000000, 0.0005736000000000, 0.0008747000000000 ] - [ -0.0000142500000000, -0.0000011900000000, -0.0004278000000000 ] - [ -0.0000002200000000, 0.0000050400000000, -0.0001408600000000 ] - [ 0.0000133000000000, 0.0000039600000000, 0.0001404500000000 ] - [ -0.0000131600000000, -0.0000055100000000, 0.0001393400000000 ] - [ -0.0000008600000000, -0.0000051900000000, -0.0001401900000000 ] - [ -0.0000006800000000, -0.0001856500000000, -0.0001958100000000 ] - [ -0.0000006800000000, -0.0001854900000000, 0.0001959400000000 ] - [ -0.0000002000000000, 0.0001856600000000, 0.0001958000000000 ] - [ -0.0000000500000000, 0.0001855500000000, -0.0001955900000000 ] - [ -0.0000000700000000, -0.0000534100000000, -0.0004598800000000 ] - [ -0.0000004900000000, -0.0000535400000000, 0.0004601500000000 ] - [ -0.0000006400000000, 0.0000534300000000, 0.0004597300000000 ] - [ -0.0000002400000000, 0.0000535000000000, -0.0004595200000000 ] - [ -0.0000003100000000, 0.0000001800000000, -0.0006371300000000 ] - [ -0.0000003300000000, -0.0000001500000000, 0.0006372900000000 ] - [ 0.0000000400000000, 0.0000000000000000, 0.0004272300000000 ] - [ -0.0000003000000000, -0.0000002700000000, -0.0004272100000000 ] - [ -0.0005226800000000, 0.0000017600000000, 0.0004537000000000 ] - [ -0.0000003700000000, 0.0000003000000000, -0.0004515900000000 ] - [ -0.0464097500000000, 0.0002743200000000, -0.0001705600000000 ] - [ 0.0000156300000000, 0.0002635800000000, 0.0001171000000000 ] - [ -0.0000063200000000, -0.0002599800000000, 0.0001172200000000 ] - [ -0.0049092900000000, -0.0002462900000000, -0.0001179500000000 ] - [ 0.0087505000000000, -0.0103517500000000, -0.0163808300000000 ] - [ 0.0002101000000000, 0.0000265300000000, 0.0000017100000000 ] - [ -0.0000996200000000, -0.0000255200000000, 0.0001518800000000 ] - [ 0.0090634800000000, 0.0102608200000000, 0.0160996200000000 ] - [ -0.0000000300000000, 0.0001435200000000, 0.0000058600000000 ] - [ -0.0000004600000000, -0.0001436200000000, -0.0000063400000000 ] - [ -0.0000006000000000, -0.0001436200000000, -0.0000063200000000 ] - [ -0.0000006300000000, 0.0001436600000000, 0.0000060600000000 ] - [ -0.0058386500000000, 0.0000150900000000, 0.0000677300000000 ] - [ 0.0000015600000000, 0.0000177400000000, -0.0000739800000000 ] - [ -0.0000037700000000, -0.0000173800000000, -0.0000809000000000 ] - [ -0.0000530000000000, -0.0000185500000000, 0.0000709200000000 ] - [ 0.0016335200000000, 0.0000029300000000, 0.0000008900000000 ] - [ 0.0000776500000000, -0.0000001400000000, 0.0000009800000000 ] - [ 0.0015094500000000, 0.0000971600000000, -0.0002585600000000 ] - [ -0.0000418700000000, 0.0000999600000000, 0.0002596200000000 ] - [ 0.0020767500000000, -0.0000979600000000, 0.0002598500000000 ] - [ 0.0025806200000000, -0.0000999100000000, -0.0002590800000000 ] - [ 0.0081012700000000, 0.0179587300000000, 0.0002252000000000 ] - [ 0.0001672800000000, -0.0000526300000000, -0.0000045000000000 ] - [ -0.0000517500000000, -0.0000323400000000, 0.0000310500000000 ] - [ -0.0000692900000000, -0.0002678300000000, -0.0000012200000000 ] - [ 0.0001752200000000, -0.0000081200000000, -0.0000197500000000 ] - [ -0.0002990000000000, 0.0002305500000000, -0.0000111500000000 ] - [ 0.0083286800000000, -0.0177629900000000, -0.0002231500000000 ] - [ -0.0000583800000000, 0.0000940000000000, 0.0000171200000000 ] - [ -0.0000005200000000, -0.0000000200000000, 0.0004513200000000 ] - [ -0.0000174600000000, 0.0000011100000000, -0.0004513900000000 ] - [ 0.0000001800000000, 0.0002608600000000, -0.0001170600000000 ] - [ -0.0000010500000000, 0.0002632400000000, 0.0001170100000000 ] - [ -0.0000010100000000, -0.0002608100000000, 0.0001171200000000 ] - [ 0.0000001600000000, -0.0002631300000000, -0.0001172200000000 ] - [ -0.0001557600000000, -0.0000001700000000, -0.0000762000000000 ] - [ 0.0001548600000000, 0.0000001300000000, 0.0000762000000000 ] - [ -0.0001553600000000, 0.0000003100000000, 0.0000762700000000 ] - [ 0.0001546900000000, -0.0000001300000000, -0.0000764400000000 ] - [ -0.0001171800000000, 0.0000506100000000, 0.0001169400000000 ] - [ -0.0000177600000000, -0.0001231700000000, -0.0000042300000000 ] - [ -0.0000185300000000, -0.0001652500000000, -0.0000068000000000 ] - [ -0.0001217500000000, 0.0002407800000000, -0.0001078000000000 ] - [ -0.0000003700000000, 0.0000178200000000, 0.0000800200000000 ] - [ -0.0000031200000000, 0.0000176500000000, -0.0000745700000000 ] - [ 0.0000012300000000, -0.0000178900000000, -0.0000798200000000 ] - [ -0.0000004000000000, -0.0000178500000000, 0.0000739100000000 ] - [ -0.0000004600000000, -0.0000000200000000, 0.0000000100000000 ] - [ -0.0000004800000000, -0.0000000100000000, -0.0000000800000000 ] - [ -0.0000007300000000, 0.0000985600000000, -0.0002586000000000 ] - [ -0.0000020100000000, 0.0000984000000000, 0.0002589300000000 ] - [ -0.0000001600000000, -0.0000986300000000, 0.0002583700000000 ] - [ -0.0000007800000000, -0.0000988200000000, -0.0002588100000000 ] - [ -0.0001135300000000, 0.0000206000000000, -0.0000065500000000 ] - [ 0.0001126000000000, 0.0000204600000000, 0.0000061300000000 ] - [ -0.0001135300000000, -0.0000206000000000, 0.0000066100000000 ] - [ 0.0001126300000000, -0.0000206400000000, -0.0000058900000000 ] - [ 0.0001127000000000, -0.0000205700000000, 0.0000065200000000 ] - [ -0.0001135600000000, -0.0000206300000000, -0.0000059200000000 ] - [ 0.0001126300000000, 0.0000206100000000, -0.0000064700000000 ] - [ -0.0001137500000000, 0.0000204100000000, 0.0000056000000000 ]- atom: 35 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0000000000000000, 0.0193823600000000, -0.0111697400000000 ] - [ 0.0000000000000000, -0.0016345800000000, -0.0014071400000000 ] - [ 0.0000000000000000, -0.0007667400000000, 0.0002720400000000 ] - [ 0.0000000000000000, 0.0061917900000000, 0.0073488600000000 ] - [ 0.0000000000000000, -0.0106278600000000, 0.0281279300000000 ] - [ 0.0000000000000000, -0.0076931000000000, -0.0027926000000000 ] - [ 0.0000000000000000, 0.0134856200000000, 0.0099283100000000 ] - [ 0.0000000000000000, -0.0106652200000000, -0.0024548800000000 ] - [ 0.0000000000000000, 0.2443574100000000, 0.0976365600000000 ] - [ 0.0000000000000000, -0.0057281700000000, -0.0014398600000000 ] - [ 0.0000000000000000, 0.0006504500000000, 0.0023703600000000 ] - [ 0.0000000000000000, -0.0193705200000000, 0.0148563200000000 ] - [ 0.0000000000000000, 0.0079642300000000, -0.0173472800000000 ] - [ 0.0000000000000000, -0.0140171200000000, 0.0051922300000000 ] - [ 0.0000000000000000, 0.1952825400000000, 0.1229391700000000 ] - [ 0.0000000000000000, -0.0038520800000000, 0.0039187700000000 ] - [ 0.0000000000000000, -0.0003256800000000, -0.0014349400000000 ] - [ 0.0000000000000000, 0.0031321400000000, -0.0040029500000000 ] - [ 0.0000000000000000, 0.0029307200000000, 0.0028645800000000 ] - [ 0.0000000000000000, -0.0004353300000000, -0.0007439500000000 ] - [ 0.0000000000000000, 0.0000652000000000, -0.0009786300000000 ] - [ 0.0000000000000000, -0.0006272600000000, -0.0012663600000000 ] - [ 0.0000000000000000, -0.0000734700000000, -0.0002353200000000 ] - [ 0.0000000000000000, 0.0002457200000000, -0.0012956700000000 ] - [ 0.0000000000000000, -0.0001043200000000, -0.0016047500000000 ] - [ 0.0000000000000000, 0.0001486200000000, -0.0019235500000000 ] - [ 0.0000000000000000, 0.0003165000000000, 0.0007349900000000 ] - [ 0.0000000000000000, -0.0001081000000000, -0.0014276200000000 ] - [ 0.0000000000000000, -0.0005565300000000, -0.0014651400000000 ] - [ 0.0000000000000000, 0.0002379000000000, -0.0001787300000000 ] - [ 0.0000000000000000, -0.0002210000000000, -0.0004572200000000 ] - [ 0.0000000000000000, 0.0008561100000000, -0.0012966100000000 ] - [ 0.0000000000000000, -0.0088985100000000, -0.0022096400000000 ] - [ 0.0000000000000000, 0.0009828100000000, -0.0003402000000000 ] - [ 0.0000000000000000, -0.5417346900000000, -0.2854011000000000 ] - [ 0.0000000000000000, 0.0043836800000000, -0.0017884200000000 ] - [ 0.0000000000000000, -0.0001048100000000, -0.0010811300000000 ] - [ 0.0000000000000000, 0.0448931700000000, -0.0059654700000000 ] - [ -0.0154232300000000, 0.0036227900000000, 0.0200387200000000 ] - [ 0.0016073500000000, 0.0028329100000000, -0.0023311000000000 ] - [ -0.0016073500000000, 0.0028329100000000, -0.0023311000000000 ] - [ 0.0154232300000000, 0.0036227900000000, 0.0200387200000000 ] - [ -0.0003554200000000, 0.0004513700000000, 0.0006795600000000 ] - [ 0.0000965700000000, -0.0000022000000000, 0.0001367700000000 ] - [ -0.0000965700000000, -0.0000022000000000, 0.0001367700000000 ] - [ 0.0003554200000000, 0.0004513700000000, 0.0006795600000000 ] - [ 0.0000000000000000, -0.0023905100000000, 0.0269726600000000 ] - [ 0.0000000000000000, 0.0015142000000000, 0.0016569500000000 ] - [ 0.0000000000000000, 0.0001309000000000, -0.0008212400000000 ] - [ 0.0000000000000000, -0.0006430000000000, -0.0085773200000000 ] - [ 0.0000000000000000, -0.0049154600000000, -0.0150228100000000 ] - [ 0.0000000000000000, 0.0031960800000000, 0.0002953600000000 ] - [ 0.0000000000000000, -0.0113449200000000, 0.0033638500000000 ] - [ 0.0000000000000000, 0.0092016800000000, 0.0014229700000000 ] - [ 0.0000000000000000, 0.0137131400000000, -0.0065266200000000 ] - [ 0.0000000000000000, 0.0056380900000000, 0.0047928700000000 ] - [ 0.0212564800000000, 0.0257813600000000, -0.0022495900000000 ] - [ -0.0016771100000000, 0.0027312100000000, 0.0016617100000000 ] - [ -0.0002595200000000, -0.0018424500000000, -0.0016866200000000 ] - [ 0.0038964000000000, 0.0062992900000000, -0.0003029500000000 ] - [ 0.0002595200000000, -0.0018424500000000, -0.0016866200000000 ] - [ -0.0038964000000000, 0.0062992900000000, -0.0003029500000000 ] - [ -0.0212564800000000, 0.0257813600000000, -0.0022495900000000 ] - [ 0.0016771100000000, 0.0027312100000000, 0.0016617100000000 ] - [ 0.0000000000000000, 0.0004188300000000, 0.0007752500000000 ] - [ 0.0000000000000000, -0.0036440400000000, -0.0001298200000000 ] - [ 0.0000000000000000, 0.0006250800000000, 0.0003883900000000 ] - [ 0.0000000000000000, -0.0005813200000000, 0.0009894500000000 ] - [ 0.0000000000000000, -0.0006374300000000, 0.0001243200000000 ] - [ 0.0000000000000000, -0.0003561000000000, 0.0002696400000000 ] - [ -0.0004180200000000, 0.0001198300000000, 0.0003571100000000 ] - [ -0.0001046000000000, -0.0001628900000000, 0.0005035500000000 ] - [ 0.0001046000000000, -0.0001628900000000, 0.0005035500000000 ] - [ 0.0004180200000000, 0.0001198300000000, 0.0003571100000000 ] - [ -0.0020110500000000, -0.0027701700000000, 0.0034045900000000 ] - [ -0.0011075400000000, -0.0013961400000000, -0.0020569300000000 ] - [ 0.0011075400000000, -0.0013961400000000, -0.0020569300000000 ] - [ 0.0020110500000000, -0.0027701700000000, 0.0034045900000000 ] - [ 0.0000000000000000, -0.0001426300000000, 0.0009937300000000 ] - [ 0.0000000000000000, 0.0001445000000000, 0.0020938700000000 ] - [ 0.0000000000000000, -0.0002428900000000, -0.0006902200000000 ] - [ 0.0000000000000000, 0.0002131400000000, 0.0007650100000000 ] - [ 0.0000000000000000, 0.0001174100000000, 0.0005044400000000 ] - [ 0.0000000000000000, -0.0001996100000000, 0.0010288200000000 ] - [ 0.0000000000000000, 0.0003138100000000, -0.0000639100000000 ] - [ 0.0000000000000000, 0.0001095200000000, 0.0005828600000000 ] - [ 0.0000000000000000, -0.0004177200000000, 0.0006112000000000 ] - [ 0.0000000000000000, 0.0004492200000000, 0.0002341300000000 ] - [ -0.0003020700000000, -0.0000931000000000, 0.0003755500000000 ] - [ -0.0002483200000000, 0.0002375700000000, 0.0007633800000000 ] - [ -0.0000745700000000, -0.0000153700000000, 0.0000436700000000 ] - [ 0.0003299500000000, 0.0000900400000000, 0.0004050500000000 ] - [ 0.0000745700000000, -0.0000153700000000, 0.0000436700000000 ] - [ -0.0003299500000000, 0.0000900400000000, 0.0004050500000000 ] - [ 0.0003020700000000, -0.0000931000000000, 0.0003755500000000 ] - [ 0.0002483200000000, 0.0002375700000000, 0.0007633800000000 ]- atom: 35 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0000000000000000, -0.0193516800000000, 0.0109219500000000 ] - [ 0.0000000000000000, 0.0016436200000000, 0.0016892800000000 ] - [ 0.0000000000000000, 0.0007567000000000, 0.0000109300000000 ] - [ 0.0000000000000000, -0.0062497200000000, -0.0076426300000000 ] - [ 0.0000000000000000, 0.0102657000000000, -0.0283834800000000 ] - [ 0.0000000000000000, 0.0072749600000000, 0.0031993100000000 ] - [ 0.0000000000000000, -0.0130691000000000, -0.0095261800000000 ] - [ 0.0000000000000000, 0.0110305800000000, 0.0020975600000000 ] - [ 0.0000000000000000, -0.2311649800000000, -0.0910427100000000 ] - [ 0.0000000000000000, 0.0056064600000000, 0.0023634100000000 ] - [ 0.0000000000000000, -0.0005280200000000, -0.0014466500000000 ] - [ 0.0000000000000000, 0.0195171200000000, -0.0158325500000000 ] - [ 0.0000000000000000, -0.0079491600000000, 0.0159866900000000 ] - [ 0.0000000000000000, 0.0139982000000000, -0.0038937900000000 ] - [ 0.0000000000000000, -0.2046285500000000, -0.1305297500000000 ] - [ 0.0000000000000000, 0.0038502100000000, -0.0047473000000000 ] - [ 0.0000000000000000, 0.0003358500000000, 0.0011532600000000 ] - [ 0.0000000000000000, -0.0031206500000000, 0.0042924800000000 ] - [ 0.0000000000000000, -0.0029475000000000, -0.0025817100000000 ] - [ 0.0000000000000000, 0.0004243700000000, 0.0004630600000000 ] - [ 0.0000000000000000, -0.0004374500000000, 0.0005863500000000 ] - [ 0.0000000000000000, 0.0002567700000000, 0.0016567800000000 ] - [ 0.0000000000000000, 0.0004433800000000, 0.0006253800000000 ] - [ 0.0000000000000000, 0.0001253100000000, 0.0009037200000000 ] - [ 0.0000000000000000, -0.0000028400000000, 0.0006841200000000 ] - [ 0.0000000000000000, -0.0002540000000000, 0.0028445400000000 ] - [ 0.0000000000000000, -0.0002123000000000, 0.0001846700000000 ] - [ 0.0000000000000000, 0.0002145800000000, 0.0005074900000000 ] - [ 0.0000000000000000, 0.0005565000000000, 0.0001892300000000 ] - [ 0.0000000000000000, -0.0002388200000000, 0.0014531000000000 ] - [ 0.0000000000000000, 0.0002205300000000, 0.0013101700000000 ] - [ 0.0000000000000000, -0.0008573000000000, 0.0004421200000000 ] - [ 0.0000000000000000, 0.0089128200000000, 0.0030919100000000 ] - [ 0.0000000000000000, -0.0009834800000000, -0.0005639500000000 ] - [ 0.0000000000000000, 0.5381589500000000, 0.2860237100000000 ] - [ 0.0000000000000000, -0.0038470500000000, 0.0020126500000000 ] - [ 0.0000000000000000, -0.0004281100000000, 0.0013051200000000 ] - [ 0.0000000000000000, -0.0461187400000000, 0.0056857300000000 ] - [ 0.0151106800000000, -0.0035244500000000, -0.0202481700000000 ] - [ -0.0012880600000000, -0.0028295200000000, 0.0024685600000000 ] - [ 0.0012880600000000, -0.0028295200000000, 0.0024685600000000 ] - [ -0.0151106800000000, -0.0035244500000000, -0.0202481700000000 ] - [ 0.0003561900000000, -0.0001653100000000, -0.0006679000000000 ] - [ -0.0000964000000000, -0.0002853100000000, -0.0001492600000000 ] - [ 0.0000964000000000, -0.0002853100000000, -0.0001492600000000 ] - [ -0.0003561900000000, -0.0001653100000000, -0.0006679000000000 ] - [ 0.0000000000000000, 0.0023513000000000, -0.0267027200000000 ] - [ 0.0000000000000000, -0.0014777300000000, -0.0018059100000000 ] - [ 0.0000000000000000, -0.0001672700000000, 0.0006602800000000 ] - [ 0.0000000000000000, 0.0006160300000000, 0.0087606000000000 ] - [ 0.0000000000000000, 0.0048788400000000, 0.0149673700000000 ] - [ 0.0000000000000000, -0.0031806800000000, -0.0003220200000000 ] - [ 0.0000000000000000, 0.0115185900000000, -0.0038722000000000 ] - [ 0.0000000000000000, -0.0090013600000000, -0.0009112200000000 ] - [ 0.0000000000000000, -0.0138671300000000, 0.0070183600000000 ] - [ 0.0000000000000000, -0.0058048000000000, -0.0052887300000000 ] - [ -0.0211751100000000, -0.0253769100000000, 0.0022933900000000 ] - [ 0.0018995600000000, -0.0026812100000000, -0.0016503900000000 ] - [ 0.0000340500000000, 0.0017912600000000, 0.0016975700000000 ] - [ -0.0036930100000000, -0.0063638100000000, 0.0002909200000000 ] - [ -0.0000340500000000, 0.0017912600000000, 0.0016975700000000 ] - [ 0.0036930100000000, -0.0063638100000000, 0.0002909200000000 ] - [ 0.0211751100000000, -0.0253769100000000, 0.0022933900000000 ] - [ -0.0018995600000000, -0.0026812100000000, -0.0016503900000000 ] - [ 0.0000000000000000, -0.0004196100000000, 0.0001277100000000 ] - [ 0.0000000000000000, 0.0036463500000000, -0.0007740400000000 ] - [ 0.0000000000000000, -0.0001037500000000, -0.0006218100000000 ] - [ 0.0000000000000000, 0.0011065700000000, -0.0007557400000000 ] - [ 0.0000000000000000, 0.0001161100000000, 0.0001098100000000 ] - [ 0.0000000000000000, -0.0001709200000000, -0.0005033800000000 ] - [ 0.0001072400000000, -0.0001206400000000, -0.0005087400000000 ] - [ 0.0004146600000000, 0.0001628500000000, -0.0003513400000000 ] - [ -0.0004146600000000, 0.0001628500000000, -0.0003513400000000 ] - [ -0.0001072400000000, -0.0001206400000000, -0.0005087400000000 ] - [ 0.0020117800000000, 0.0030528200000000, -0.0033944100000000 ] - [ 0.0011080000000000, 0.0011162800000000, 0.0020463500000000 ] - [ -0.0011080000000000, 0.0011162800000000, 0.0020463500000000 ] - [ -0.0020117800000000, 0.0030528200000000, -0.0033944100000000 ] - [ 0.0000000000000000, 0.0001767200000000, -0.0008340600000000 ] - [ 0.0000000000000000, -0.0001123300000000, -0.0022441500000000 ] - [ 0.0000000000000000, 0.0002091400000000, 0.0005300300000000 ] - [ 0.0000000000000000, -0.0002484400000000, -0.0006172600000000 ] - [ 0.0000000000000000, -0.0001175100000000, -0.0005035500000000 ] - [ 0.0000000000000000, 0.0001986500000000, -0.0010281700000000 ] - [ 0.0000000000000000, -0.0001170200000000, -0.0004517600000000 ] - [ 0.0000000000000000, 0.0000859200000000, -0.0000648700000000 ] - [ 0.0000000000000000, 0.0002200200000000, -0.0000956000000000 ] - [ 0.0000000000000000, -0.0006475100000000, -0.0007506400000000 ] - [ 0.0000757700000000, 0.0001335700000000, -0.0003885400000000 ] - [ 0.0004749400000000, -0.0001982700000000, -0.0007512500000000 ] - [ -0.0001518700000000, -0.0000254200000000, -0.0000301800000000 ] - [ -0.0001036100000000, -0.0001315900000000, -0.0004167600000000 ] - [ 0.0001518700000000, -0.0000254200000000, -0.0000301800000000 ] - [ 0.0001036100000000, -0.0001315900000000, -0.0004167600000000 ] - [ -0.0000757700000000, 0.0001335700000000, -0.0003885400000000 ] - [ -0.0004749400000000, -0.0001982700000000, -0.0007512500000000 ]- atom: 35 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0124087900000000, -0.0141531100000000 ] - [ 0.0000000000000000, -0.0007951600000000, -0.0021451700000000 ] - [ 0.0000000000000000, 0.0004024200000000, -0.0018921700000000 ] - [ 0.0000000000000000, 0.0086554300000000, 0.0028959700000000 ] - [ 0.0000000000000000, -0.0016518300000000, 0.0138080100000000 ] - [ 0.0000000000000000, -0.0086739200000000, 0.0005288500000000 ] - [ 0.0000000000000000, 0.0092507700000000, 0.0026226900000000 ] - [ 0.0000000000000000, -0.0030675700000000, 0.0041334900000000 ] - [ 0.0000000000000000, 0.0966187100000000, 0.0766369900000000 ] - [ 0.0000000000000000, -0.0034476600000000, -0.0013740000000000 ] - [ 0.0000000000000000, 0.0027603300000000, -0.0008833400000000 ] - [ 0.0000000000000000, -0.0033647400000000, 0.0084037300000000 ] - [ 0.0000000000000000, 0.0038996200000000, -0.0150654700000000 ] - [ 0.0000000000000000, -0.0037538500000000, 0.0041782000000000 ] - [ 0.0000000000000000, 0.1193496800000000, 0.1199956500000000 ] - [ 0.0000000000000000, -0.0006613200000000, 0.0024616000000000 ] - [ 0.0000000000000000, 0.0001912200000000, -0.0025379700000000 ] - [ 0.0000000000000000, 0.0014047300000000, -0.0054977000000000 ] - [ 0.0000000000000000, 0.0028989300000000, -0.0003993800000000 ] - [ 0.0000000000000000, -0.0003544900000000, -0.0024579500000000 ] - [ 0.0000000000000000, 0.0002560800000000, -0.0020956600000000 ] - [ 0.0000000000000000, -0.0009368000000000, -0.0022090800000000 ] - [ 0.0000000000000000, 0.0004460800000000, -0.0014511300000000 ] - [ 0.0000000000000000, -0.0000762400000000, -0.0023894300000000 ] - [ 0.0000000000000000, 0.0001601300000000, -0.0028349700000000 ] - [ 0.0000000000000000, -0.0004323800000000, -0.0032102100000000 ] - [ 0.0000000000000000, 0.0007365400000000, -0.0012799400000000 ] - [ 0.0000000000000000, -0.0002815500000000, -0.0028731400000000 ] - [ 0.0000000000000000, -0.0003818500000000, -0.0023040200000000 ] - [ 0.0000000000000000, 0.0001354600000000, -0.0012291800000000 ] - [ 0.0000000000000000, -0.0001046300000000, -0.0014392900000000 ] - [ 0.0000000000000000, 0.0006068900000000, -0.0024977300000000 ] - [ 0.0000000000000000, -0.0077245000000000, 0.0026100400000000 ] - [ 0.0000000000000000, 0.0001630000000000, 0.0001576700000000 ] - [ 0.0000000000000000, -0.2838698100000000, -0.2195003500000000 ] - [ 0.0000000000000000, 0.0021572700000000, -0.0007473800000000 ] - [ 0.0000000000000000, -0.0014503900000000, -0.0006235300000000 ] - [ 0.0000000000000000, 0.0056267600000000, -0.0108489600000000 ] - [ -0.0156921500000000, 0.0137625900000000, 0.0146084000000000 ] - [ 0.0011308400000000, 0.0006832200000000, -0.0016059800000000 ] - [ -0.0011308400000000, 0.0006832200000000, -0.0016059800000000 ] - [ 0.0156921500000000, 0.0137625900000000, 0.0146084000000000 ] - [ -0.0006371000000000, 0.0002536200000000, 0.0011256600000000 ] - [ 0.0006011800000000, -0.0001742400000000, 0.0010392300000000 ] - [ -0.0006011800000000, -0.0001742400000000, 0.0010392300000000 ] - [ 0.0006371000000000, 0.0002536200000000, 0.0011256600000000 ] - [ 0.0000000000000000, 0.0147395900000000, 0.0287267300000000 ] - [ 0.0000000000000000, 0.0011194600000000, 0.0017701700000000 ] - [ 0.0000000000000000, -0.0008556400000000, 0.0013749800000000 ] - [ 0.0000000000000000, -0.0024317500000000, -0.0061361200000000 ] - [ 0.0000000000000000, -0.0040577100000000, -0.0079394500000000 ] - [ 0.0000000000000000, 0.0029150300000000, -0.0032469800000000 ] - [ 0.0000000000000000, -0.0066501200000000, 0.0028501100000000 ] - [ 0.0000000000000000, 0.0022561100000000, -0.0006597400000000 ] - [ 0.0000000000000000, 0.0040202400000000, -0.0029650600000000 ] - [ 0.0000000000000000, 0.0069557600000000, 0.0046924000000000 ] - [ 0.0059302400000000, 0.0064954900000000, -0.0102498200000000 ] - [ -0.0011221700000000, 0.0022393400000000, 0.0008854400000000 ] - [ 0.0005370100000000, -0.0020538300000000, 0.0003137700000000 ] - [ -0.0002490000000000, 0.0008411900000000, -0.0020083800000000 ] - [ -0.0005370100000000, -0.0020538300000000, 0.0003137700000000 ] - [ 0.0002490000000000, 0.0008411900000000, -0.0020083800000000 ] - [ -0.0059302400000000, 0.0064954900000000, -0.0102498200000000 ] - [ 0.0011221700000000, 0.0022393400000000, 0.0008854400000000 ] - [ 0.0000000000000000, 0.0000837700000000, 0.0012426800000000 ] - [ 0.0000000000000000, -0.0027203900000000, 0.0006289900000000 ] - [ 0.0000000000000000, 0.0007657800000000, 0.0008646000000000 ] - [ 0.0000000000000000, -0.0006098400000000, 0.0015050300000000 ] - [ 0.0000000000000000, -0.0002540600000000, 0.0008838000000000 ] - [ 0.0000000000000000, -0.0006493400000000, 0.0008333000000000 ] - [ -0.0007069100000000, 0.0000757000000000, 0.0008251700000000 ] - [ -0.0004513300000000, -0.0001100900000000, 0.0010707400000000 ] - [ 0.0004513300000000, -0.0001100900000000, 0.0010707400000000 ] - [ 0.0007069100000000, 0.0000757000000000, 0.0008251700000000 ] - [ -0.0026304000000000, -0.0013928300000000, 0.0038892400000000 ] - [ 0.0000822000000000, -0.0018201900000000, -0.0003133300000000 ] - [ -0.0000822000000000, -0.0018201900000000, -0.0003133300000000 ] - [ 0.0026304000000000, -0.0013928300000000, 0.0038892400000000 ] - [ 0.0000000000000000, -0.0005089600000000, 0.0019718300000000 ] - [ 0.0000000000000000, 0.0008907100000000, 0.0033097700000000 ] - [ 0.0000000000000000, -0.0009125100000000, 0.0012457300000000 ] - [ 0.0000000000000000, 0.0005494100000000, 0.0019740200000000 ] - [ 0.0000000000000000, 0.0002414100000000, 0.0014412500000000 ] - [ 0.0000000000000000, -0.0003049100000000, 0.0018519800000000 ] - [ 0.0000000000000000, -0.0001323400000000, 0.0003070800000000 ] - [ 0.0000000000000000, 0.0004584600000000, 0.0010091000000000 ] - [ 0.0000000000000000, -0.0006301500000000, 0.0010063100000000 ] - [ 0.0000000000000000, 0.0006621300000000, 0.0005164500000000 ] - [ -0.0005714700000000, -0.0002851000000000, 0.0008465700000000 ] - [ -0.0005496300000000, 0.0005265300000000, 0.0012038100000000 ] - [ 0.0003109400000000, -0.0003581300000000, 0.0006803500000000 ] - [ 0.0006115400000000, 0.0002965900000000, 0.0009133300000000 ] - [ -0.0003109400000000, -0.0003581300000000, 0.0006803500000000 ] - [ -0.0006115400000000, 0.0002965900000000, 0.0009133300000000 ] - [ 0.0005714700000000, -0.0002851000000000, 0.0008465700000000 ] - [ 0.0005496300000000, 0.0005265300000000, 0.0012038100000000 ]- atom: 35 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0000000000000000, -0.0123602900000000, 0.0138506600000000 ] - [ 0.0000000000000000, 0.0008089100000000, 0.0024255200000000 ] - [ 0.0000000000000000, -0.0004131500000000, 0.0021711500000000 ] - [ 0.0000000000000000, -0.0086446900000000, -0.0031641000000000 ] - [ 0.0000000000000000, 0.0013141100000000, -0.0143264100000000 ] - [ 0.0000000000000000, 0.0083423700000000, -0.0001461000000000 ] - [ 0.0000000000000000, -0.0089305900000000, -0.0022641300000000 ] - [ 0.0000000000000000, 0.0034534600000000, -0.0045512000000000 ] - [ 0.0000000000000000, -0.0941108100000000, -0.0776698400000000 ] - [ 0.0000000000000000, 0.0033581500000000, 0.0022912500000000 ] - [ 0.0000000000000000, -0.0026653100000000, 0.0017967300000000 ] - [ 0.0000000000000000, 0.0034351800000000, -0.0092854800000000 ] - [ 0.0000000000000000, -0.0039281500000000, 0.0138589500000000 ] - [ 0.0000000000000000, 0.0037860100000000, -0.0029284800000000 ] - [ 0.0000000000000000, -0.1246724700000000, -0.1210992700000000 ] - [ 0.0000000000000000, 0.0006669100000000, -0.0033399000000000 ] - [ 0.0000000000000000, -0.0001793500000000, 0.0022561100000000 ] - [ 0.0000000000000000, -0.0013917800000000, 0.0057722600000000 ] - [ 0.0000000000000000, -0.0029041800000000, 0.0006841000000000 ] - [ 0.0000000000000000, 0.0003436200000000, 0.0021758500000000 ] - [ 0.0000000000000000, -0.0006269300000000, 0.0017047600000000 ] - [ 0.0000000000000000, 0.0005644700000000, 0.0025996100000000 ] - [ 0.0000000000000000, -0.0000746400000000, 0.0018435200000000 ] - [ 0.0000000000000000, 0.0004473600000000, 0.0019978400000000 ] - [ 0.0000000000000000, -0.0002659900000000, 0.0019151500000000 ] - [ 0.0000000000000000, 0.0003253700000000, 0.0041270000000000 ] - [ 0.0000000000000000, -0.0006289700000000, 0.0022011300000000 ] - [ 0.0000000000000000, 0.0003875700000000, 0.0019532000000000 ] - [ 0.0000000000000000, 0.0003813400000000, 0.0010296700000000 ] - [ 0.0000000000000000, -0.0001356400000000, 0.0025038800000000 ] - [ 0.0000000000000000, 0.0001045600000000, 0.0022934400000000 ] - [ 0.0000000000000000, -0.0006058500000000, 0.0016431300000000 ] - [ 0.0000000000000000, 0.0077014200000000, -0.0016853700000000 ] - [ 0.0000000000000000, -0.0001646500000000, -0.0010594500000000 ] - [ 0.0000000000000000, 0.2873317000000000, 0.2212990400000000 ] - [ 0.0000000000000000, -0.0016442100000000, 0.0009909400000000 ] - [ 0.0000000000000000, 0.0009359100000000, 0.0008659100000000 ] - [ 0.0000000000000000, -0.0060224200000000, 0.0106571600000000 ] - [ 0.0156175700000000, -0.0140118700000000, -0.0149315800000000 ] - [ -0.0008285800000000, -0.0006888300000000, 0.0017713000000000 ] - [ 0.0008285800000000, -0.0006888300000000, 0.0017713000000000 ] - [ -0.0156175700000000, -0.0140118700000000, -0.0149315800000000 ] - [ 0.0006375600000000, 0.0000323300000000, -0.0011137600000000 ] - [ -0.0006003400000000, -0.0001125800000000, -0.0010507800000000 ] - [ 0.0006003400000000, -0.0001125800000000, -0.0010507800000000 ] - [ -0.0006375600000000, 0.0000323300000000, -0.0011137600000000 ] - [ 0.0000000000000000, -0.0143627000000000, -0.0281233600000000 ] - [ 0.0000000000000000, -0.0010873200000000, -0.0019181300000000 ] - [ 0.0000000000000000, 0.0008229400000000, -0.0015319100000000 ] - [ 0.0000000000000000, 0.0023914900000000, 0.0062689700000000 ] - [ 0.0000000000000000, 0.0040788600000000, 0.0079974700000000 ] - [ 0.0000000000000000, -0.0029303300000000, 0.0032674800000000 ] - [ 0.0000000000000000, 0.0068839600000000, -0.0033794900000000 ] - [ 0.0000000000000000, -0.0020710200000000, 0.0011820800000000 ] - [ 0.0000000000000000, -0.0042584900000000, 0.0035083700000000 ] - [ 0.0000000000000000, -0.0071902600000000, -0.0052428800000000 ] - [ -0.0062263200000000, -0.0065451100000000, 0.0101921600000000 ] - [ 0.0013529300000000, -0.0022085400000000, -0.0008741600000000 ] - [ -0.0007630900000000, 0.0020221900000000, -0.0002965000000000 ] - [ 0.0004846200000000, -0.0008745300000000, 0.0019981600000000 ] - [ 0.0007630900000000, 0.0020221900000000, -0.0002965000000000 ] - [ -0.0004846200000000, -0.0008745300000000, 0.0019981600000000 ] - [ 0.0062263200000000, -0.0065451100000000, 0.0101921600000000 ] - [ -0.0013529300000000, -0.0022085400000000, -0.0008741600000000 ] - [ 0.0000000000000000, -0.0000844900000000, -0.0003398600000000 ] - [ 0.0000000000000000, 0.0027142100000000, -0.0015306900000000 ] - [ 0.0000000000000000, -0.0002443800000000, -0.0010987700000000 ] - [ 0.0000000000000000, 0.0011350500000000, -0.0012701400000000 ] - [ 0.0000000000000000, -0.0002686300000000, -0.0006503100000000 ] - [ 0.0000000000000000, 0.0001234300000000, -0.0010676900000000 ] - [ 0.0003965000000000, -0.0000758000000000, -0.0009777400000000 ] - [ 0.0007614800000000, 0.0001102900000000, -0.0009185900000000 ] - [ -0.0007614800000000, 0.0001102900000000, -0.0009185900000000 ] - [ -0.0003965000000000, -0.0000758000000000, -0.0009777400000000 ] - [ 0.0026231300000000, 0.0016755100000000, -0.0038694600000000 ] - [ -0.0000818000000000, 0.0015289200000000, 0.0002987800000000 ] - [ 0.0000818000000000, 0.0015289200000000, 0.0002987800000000 ] - [ -0.0026231300000000, 0.0016755100000000, -0.0038694600000000 ] - [ 0.0000000000000000, 0.0005433900000000, -0.0018123400000000 ] - [ 0.0000000000000000, -0.0008549200000000, -0.0034541800000000 ] - [ 0.0000000000000000, 0.0008765700000000, -0.0014064700000000 ] - [ 0.0000000000000000, -0.0005838900000000, -0.0018259300000000 ] - [ 0.0000000000000000, -0.0002416800000000, -0.0014420800000000 ] - [ 0.0000000000000000, 0.0003049800000000, -0.0018517400000000 ] - [ 0.0000000000000000, 0.0003297800000000, -0.0008241500000000 ] - [ 0.0000000000000000, -0.0002635300000000, -0.0004857100000000 ] - [ 0.0000000000000000, 0.0004325200000000, -0.0004908400000000 ] - [ 0.0000000000000000, -0.0008586000000000, -0.0010336500000000 ] - [ 0.0003452600000000, 0.0003260200000000, -0.0008599800000000 ] - [ 0.0007754700000000, -0.0004852100000000, -0.0011910500000000 ] - [ -0.0005373300000000, 0.0003170000000000, -0.0006677800000000 ] - [ -0.0003851100000000, -0.0003374400000000, -0.0009251600000000 ] - [ 0.0005373300000000, 0.0003170000000000, -0.0006677800000000 ] - [ 0.0003851100000000, -0.0003374400000000, -0.0009251600000000 ] - [ -0.0003452600000000, 0.0003260200000000, -0.0008599800000000 ] - [ -0.0007754700000000, -0.0004852100000000, -0.0011910500000000 ]- atom: 39 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0000049000000000, 0.0000989900000000, 0.0021615200000000 ] - [ 0.0000011400000000, 0.0004243800000000, 0.0012360600000000 ] - [ 0.0000011400000000, -0.0004243800000000, 0.0012360600000000 ] - [ 0.0000049000000000, -0.0000989900000000, 0.0021615200000000 ] - [ -0.0002205000000000, 0.0007752000000000, -0.0070581000000000 ] - [ 0.0007209500000000, 0.0126253500000000, -0.0039736600000000 ] - [ 0.0007209500000000, -0.0126253500000000, -0.0039736600000000 ] - [ -0.0002205000000000, -0.0007752000000000, -0.0070581000000000 ] - [ 0.0010891300000000, 0.0119392300000000, 0.0015612800000000 ] - [ -0.0002749500000000, 0.0020905600000000, 0.0008026900000000 ] - [ -0.0002749500000000, -0.0020905600000000, 0.0008026900000000 ] - [ 0.0010891300000000, -0.0119392300000000, 0.0015612800000000 ] - [ 0.1682395300000000, 0.0000000000000000, -0.1339255800000000 ] - [ 0.0000070100000000, 0.0000000000000000, -0.0021907800000000 ] - [ 0.1652279000000000, 0.0000000000000000, -0.1259701400000000 ] - [ 0.0000040200000000, 0.0000000000000000, -0.0032594200000000 ] - [ -0.0000002300000000, -0.0001124700000000, 0.0011471700000000 ] - [ 0.0000032000000000, 0.0003614100000000, 0.0018400700000000 ] - [ 0.0000032000000000, -0.0003614100000000, 0.0018400700000000 ] - [ -0.0000002300000000, 0.0001124700000000, 0.0011471700000000 ] - [ -0.0000002900000000, -0.0003644500000000, 0.0009788300000000 ] - [ -0.0000002100000000, 0.0000681800000000, 0.0013590800000000 ] - [ -0.0000002100000000, -0.0000681800000000, 0.0013590800000000 ] - [ -0.0000002900000000, 0.0003644500000000, 0.0009788300000000 ] - [ 0.0000000200000000, -0.0001827100000000, 0.0008918200000000 ] - [ 0.0000000700000000, 0.0002026900000000, 0.0019622000000000 ] - [ 0.0000000700000000, -0.0002026900000000, 0.0019622000000000 ] - [ 0.0000000200000000, 0.0001827100000000, 0.0008918200000000 ] - [ -0.0000006400000000, 0.0000000000000000, 0.0003299800000000 ] - [ 0.0000000900000000, 0.0000000000000000, 0.0017020800000000 ] - [ -0.0000006300000000, 0.0000000000000000, 0.0014988800000000 ] - [ 0.0000001200000000, 0.0000000000000000, 0.0007441200000000 ] - [ -0.0000083600000000, 0.0000000000000000, -0.0005387900000000 ] - [ -0.0000000200000000, 0.0000000000000000, -0.0007210500000000 ] - [ 0.0089452900000000, -0.0149720000000000, -0.0157067100000000 ] - [ 0.0000548100000000, -0.0011856100000000, 0.0010964600000000 ] - [ 0.0000548100000000, 0.0011856100000000, 0.0010964600000000 ] - [ 0.0089452900000000, 0.0149720000000000, -0.0157067100000000 ] - [ -0.4626187500000000, 0.0000000000000000, 0.3027658600000000 ] - [ -0.0007160100000000, 0.0000000000000000, 0.0015661900000000 ] - [ 0.0007241800000000, 0.0000000000000000, 0.0015786800000000 ] - [ 0.0895957700000000, 0.0000000000000000, 0.0135899700000000 ] - [ 0.0003264800000000, 0.0000786300000000, -0.0005784000000000 ] - [ -0.0003250200000000, -0.0000790100000000, -0.0005762300000000 ] - [ 0.0003264800000000, -0.0000786300000000, -0.0005784000000000 ] - [ -0.0003250200000000, 0.0000790100000000, -0.0005762300000000 ] - [ -0.0002288200000000, -0.0013300500000000, -0.0021934300000000 ] - [ 0.0000309400000000, -0.0006249100000000, -0.0009001300000000 ] - [ 0.0000309400000000, 0.0006249100000000, -0.0009001300000000 ] - [ -0.0002288200000000, 0.0013300500000000, -0.0021934300000000 ] - [ 0.0000198300000000, 0.0028954700000000, 0.0056083000000000 ] - [ 0.0000198300000000, -0.0028954700000000, 0.0056083000000000 ] - [ 0.0089451100000000, 0.0157434900000000, -0.0127939700000000 ] - [ 0.0000321500000000, 0.0011231400000000, 0.0018425700000000 ] - [ 0.0000321500000000, -0.0011231400000000, 0.0018425700000000 ] - [ 0.0089451100000000, -0.0157434900000000, -0.0127939700000000 ] - [ -0.0025940900000000, -0.0024334500000000, 0.0017293300000000 ] - [ 0.0018944200000000, -0.0027265300000000, -0.0001996800000000 ] - [ -0.0014430000000000, 0.0019852400000000, -0.0000333700000000 ] - [ 0.0028055700000000, 0.0028898000000000, 0.0018731300000000 ] - [ 0.0018944200000000, 0.0027265300000000, -0.0001996800000000 ] - [ -0.0025940900000000, 0.0024334500000000, 0.0017293300000000 ] - [ 0.0028055700000000, -0.0028898000000000, 0.0018731300000000 ] - [ -0.0014430000000000, -0.0019852400000000, -0.0000333700000000 ] - [ -0.0000000100000000, 0.0000000000000000, 0.0000166400000000 ] - [ -0.0000022700000000, 0.0000000000000000, -0.0010217600000000 ] - [ 0.0000005500000000, -0.0000006000000000, -0.0006688900000000 ] - [ -0.0000006600000000, 0.0005213900000000, -0.0004894600000000 ] - [ -0.0000006600000000, -0.0005213900000000, -0.0004894600000000 ] - [ 0.0000005500000000, 0.0000006000000000, -0.0006688900000000 ] - [ 0.0001621400000000, 0.0000000000000000, -0.0005963500000000 ] - [ 0.0004983200000000, 0.0000000000000000, -0.0004922800000000 ] - [ -0.0004994400000000, 0.0000000000000000, -0.0004891100000000 ] - [ -0.0001624300000000, 0.0000000000000000, -0.0005965900000000 ] - [ 0.0005675200000000, 0.0000299900000000, -0.0008659700000000 ] - [ -0.0005788400000000, -0.0000390300000000, -0.0008782500000000 ] - [ 0.0005675200000000, -0.0000299900000000, -0.0008659700000000 ] - [ -0.0005788400000000, 0.0000390300000000, -0.0008782500000000 ] - [ 0.0000000200000000, 0.0003052100000000, -0.0009782700000000 ] - [ -0.0000004900000000, -0.0004333600000000, -0.0013558300000000 ] - [ -0.0000004900000000, 0.0004333600000000, -0.0013558300000000 ] - [ 0.0000000200000000, -0.0003052100000000, -0.0009782700000000 ] - [ 0.0000001900000000, -0.0001660100000000, -0.0009470000000000 ] - [ 0.0000001900000000, 0.0001660100000000, -0.0009470000000000 ] - [ -0.0000003600000000, 0.0003662500000000, -0.0006513300000000 ] - [ 0.0000002200000000, -0.0001449000000000, -0.0001724000000000 ] - [ 0.0000002200000000, 0.0001449000000000, -0.0001724000000000 ] - [ -0.0000003600000000, -0.0003662500000000, -0.0006513300000000 ] - [ 0.0001545600000000, 0.0001873600000000, -0.0005103900000000 ] - [ 0.0004125000000000, -0.0001999700000000, -0.0005219800000000 ] - [ -0.0004126600000000, 0.0001999800000000, -0.0005220400000000 ] - [ -0.0001547000000000, -0.0001873800000000, -0.0005103200000000 ] - [ 0.0004125000000000, 0.0001999700000000, -0.0005219800000000 ] - [ 0.0001545600000000, -0.0001873600000000, -0.0005103900000000 ] - [ -0.0001547000000000, 0.0001873800000000, -0.0005103200000000 ] - [ -0.0004126600000000, -0.0001999800000000, -0.0005220400000000 ]- atom: 39 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0000052800000000, -0.0000871500000000, -0.0024445900000000 ] - [ -0.0000011600000000, -0.0004136100000000, -0.0009549500000000 ] - [ -0.0000011600000000, 0.0004136100000000, -0.0009549500000000 ] - [ -0.0000052800000000, 0.0000871500000000, -0.0024445900000000 ] - [ 0.0002248900000000, -0.0011446200000000, 0.0066680300000000 ] - [ -0.0007150100000000, -0.0129935700000000, 0.0043610100000000 ] - [ -0.0007150100000000, 0.0129935700000000, 0.0043610100000000 ] - [ 0.0002248900000000, 0.0011446200000000, 0.0066680300000000 ] - [ -0.0010878600000000, -0.0120484700000000, -0.0024784400000000 ] - [ 0.0002755400000000, -0.0021979900000000, 0.0001168200000000 ] - [ 0.0002755400000000, 0.0021979900000000, 0.0001168200000000 ] - [ -0.0010878600000000, 0.0120484700000000, -0.0024784400000000 ] - [ -0.1591016300000000, 0.0000000000000000, 0.1246060400000000 ] - [ -0.0000069500000000, 0.0000000000000000, 0.0034654900000000 ] - [ -0.1746699000000000, 0.0000000000000000, 0.1350326800000000 ] - [ -0.0000041700000000, 0.0000000000000000, 0.0024055400000000 ] - [ 0.0000002200000000, 0.0001232800000000, -0.0014287900000000 ] - [ -0.0000030900000000, -0.0003506500000000, -0.0015591700000000 ] - [ -0.0000030900000000, 0.0003506500000000, -0.0015591700000000 ] - [ 0.0000002200000000, -0.0001232800000000, -0.0014287900000000 ] - [ 0.0000002900000000, -0.0000067600000000, -0.0013705400000000 ] - [ 0.0000001200000000, -0.0004391400000000, -0.0009684300000000 ] - [ 0.0000001200000000, 0.0004391400000000, -0.0009684300000000 ] - [ 0.0000002900000000, 0.0000067600000000, -0.0013705400000000 ] - [ -0.0000000300000000, 0.0000762100000000, -0.0018119900000000 ] - [ -0.0000000900000000, -0.0003091300000000, -0.0010428700000000 ] - [ -0.0000000900000000, 0.0003091300000000, -0.0010428700000000 ] - [ -0.0000000300000000, -0.0000762100000000, -0.0018119900000000 ] - [ 0.0000005900000000, 0.0000000000000000, -0.0016050400000000 ] - [ -0.0000001100000000, 0.0000000000000000, -0.0004278300000000 ] - [ 0.0000006800000000, 0.0000000000000000, -0.0006452900000000 ] - [ -0.0000001300000000, 0.0000000000000000, -0.0015988800000000 ] - [ 0.0000081300000000, 0.0000000000000000, 0.0014418200000000 ] - [ 0.0000002200000000, 0.0000000000000000, -0.0001823900000000 ] - [ -0.0088679800000000, 0.0155613500000000, 0.0156015300000000 ] - [ -0.0000562800000000, 0.0017097600000000, -0.0008630000000000 ] - [ -0.0000562800000000, -0.0017097600000000, -0.0008630000000000 ] - [ -0.0088679800000000, -0.0155613500000000, 0.0156015300000000 ] - [ 0.4626122300000000, 0.0000000000000000, -0.3030673000000000 ] - [ 0.0010264300000000, 0.0000000000000000, -0.0014141700000000 ] - [ -0.0010343800000000, 0.0000000000000000, -0.0014261900000000 ] - [ -0.0892811000000000, 0.0000000000000000, -0.0137458300000000 ] - [ -0.0003264400000000, 0.0002082700000000, 0.0005782300000000 ] - [ 0.0003249200000000, -0.0002078800000000, 0.0005760200000000 ] - [ -0.0003264400000000, -0.0002082700000000, 0.0005782300000000 ] - [ 0.0003249200000000, 0.0002078800000000, 0.0005760200000000 ] - [ 0.0002281000000000, 0.0013683100000000, 0.0023547400000000 ] - [ -0.0000310900000000, 0.0006597300000000, 0.0007458500000000 ] - [ -0.0000310900000000, -0.0006597300000000, 0.0007458500000000 ] - [ 0.0002281000000000, -0.0013683100000000, 0.0023547400000000 ] - [ -0.0000266200000000, -0.0028949400000000, -0.0056063000000000 ] - [ -0.0000266200000000, 0.0028949400000000, -0.0056063000000000 ] - [ -0.0090260100000000, -0.0154772800000000, 0.0121415600000000 ] - [ -0.0000316100000000, -0.0009261600000000, -0.0013255900000000 ] - [ -0.0000316100000000, 0.0009261600000000, -0.0013255900000000 ] - [ -0.0090260100000000, 0.0154772800000000, 0.0121415600000000 ] - [ 0.0023719200000000, 0.0024767900000000, -0.0017439200000000 ] - [ -0.0016677600000000, 0.0027691200000000, 0.0002124700000000 ] - [ 0.0012123200000000, -0.0020229800000000, 0.0000451200000000 ] - [ -0.0025807700000000, -0.0029311200000000, -0.0018846200000000 ] - [ -0.0016677600000000, -0.0027691200000000, 0.0002124700000000 ] - [ 0.0023719200000000, -0.0024767900000000, -0.0017439200000000 ] - [ -0.0025807700000000, 0.0029311200000000, -0.0018846200000000 ] - [ 0.0012123200000000, 0.0020229800000000, 0.0000451200000000 ] - [ -0.0000002100000000, 0.0000000000000000, 0.0008865200000000 ] - [ 0.0000024600000000, 0.0000000000000000, 0.0001185900000000 ] - [ 0.0000006800000000, 0.0005246800000000, 0.0004350300000000 ] - [ -0.0000007900000000, 0.0000022700000000, 0.0007232000000000 ] - [ -0.0000007900000000, -0.0000022700000000, 0.0007232000000000 ] - [ 0.0000006800000000, -0.0005246800000000, 0.0004350300000000 ] - [ -0.0004727600000000, 0.0000000000000000, 0.0004441600000000 ] - [ -0.0001879000000000, 0.0000000000000000, 0.0006443600000000 ] - [ 0.0001894100000000, 0.0000000000000000, 0.0006419800000000 ] - [ 0.0004726900000000, 0.0000000000000000, 0.0004439100000000 ] - [ -0.0005680200000000, 0.0002566000000000, 0.0008663100000000 ] - [ 0.0005792700000000, -0.0002478300000000, 0.0008784600000000 ] - [ -0.0005680200000000, -0.0002566000000000, 0.0008663100000000 ] - [ 0.0005792700000000, 0.0002478300000000, 0.0008784600000000 ] - [ 0.0000000600000000, -0.0002703000000000, 0.0011322700000000 ] - [ 0.0000003700000000, 0.0004682100000000, 0.0012019400000000 ] - [ 0.0000003700000000, -0.0004682100000000, 0.0012019400000000 ] - [ 0.0000000600000000, 0.0002703000000000, 0.0011322700000000 ] - [ 0.0000000400000000, 0.0001659800000000, 0.0009473300000000 ] - [ 0.0000000400000000, -0.0001659800000000, 0.0009473300000000 ] - [ -0.0000002200000000, -0.0001690200000000, 0.0001342800000000 ] - [ 0.0000003200000000, 0.0003423800000000, 0.0006888100000000 ] - [ 0.0000003200000000, -0.0003423800000000, 0.0006888100000000 ] - [ -0.0000002200000000, 0.0001690200000000, 0.0001342800000000 ] - [ -0.0003808200000000, -0.0001462200000000, 0.0004980900000000 ] - [ -0.0001863500000000, 0.0002409300000000, 0.0005344500000000 ] - [ 0.0001864800000000, -0.0002409400000000, 0.0005344300000000 ] - [ 0.0003809200000000, 0.0001462000000000, 0.0004981300000000 ] - [ -0.0001863500000000, -0.0002409300000000, 0.0005344500000000 ] - [ -0.0003808200000000, 0.0001462200000000, 0.0004980900000000 ] - [ 0.0003809200000000, -0.0001462000000000, 0.0004981300000000 ] - [ 0.0001864800000000, 0.0002409400000000, 0.0005344300000000 ]- atom: 39 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0000087000000000, 0.0029975100000000, -0.0025786000000000 ] - [ -0.0000000400000000, -0.0017068400000000, -0.0010215500000000 ] - [ -0.0000002000000000, -0.0017173200000000, 0.0013041900000000 ] - [ 0.0000083200000000, 0.0029868700000000, 0.0022991500000000 ] - [ -0.0003304100000000, -0.0050314500000000, -0.0016113900000000 ] - [ 0.0004265300000000, -0.0079906400000000, -0.0019885100000000 ] - [ -0.0004391300000000, -0.0075879200000000, 0.0024013400000000 ] - [ 0.0003242800000000, -0.0046513200000000, 0.0012068500000000 ] - [ -0.0003032100000000, -0.0059470100000000, -0.0052365500000000 ] - [ 0.0000268600000000, -0.0039182900000000, -0.0016080400000000 ] - [ -0.0000243500000000, -0.0038112900000000, 0.0025308000000000 ] - [ 0.0003096900000000, -0.0058712700000000, 0.0043174800000000 ] - [ -0.0005649100000000, 0.0313571600000000, -0.0002949800000000 ] - [ -0.0000001000000000, -0.0049054400000000, 0.0006370300000000 ] - [ 0.0005824100000000, 0.0301789400000000, 0.0000783200000000 ] - [ -0.0000001600000000, -0.0039658500000000, -0.0004258200000000 ] - [ -0.0000005300000000, -0.0005191200000000, -0.0006743300000000 ] - [ -0.0000019800000000, 0.0007756500000000, -0.0007287400000000 ] - [ 0.0000017900000000, 0.0007646800000000, 0.0010112800000000 ] - [ 0.0000002900000000, -0.0005294800000000, 0.0003937000000000 ] - [ 0.0000000100000000, -0.0000990600000000, -0.0002355400000000 ] - [ -0.0000001700000000, -0.0002897100000000, 0.0000980300000000 ] - [ -0.0000001400000000, 0.0000810100000000, 0.0002937600000000 ] - [ -0.0000002500000000, 0.0002723400000000, -0.0001556500000000 ] - [ -0.0000001900000000, -0.0001165800000000, -0.0006682800000000 ] - [ -0.0000004500000000, 0.0000174700000000, 0.0001350300000000 ] - [ 0.0000001900000000, 0.0001237400000000, 0.0007856300000000 ] - [ -0.0000000500000000, -0.0000097700000000, -0.0002509800000000 ] - [ -0.0000001500000000, -0.0001645900000000, -0.0006371000000000 ] - [ -0.0000001300000000, 0.0001394500000000, 0.0006374700000000 ] - [ -0.0000000900000000, -0.0001746100000000, 0.0004272100000000 ] - [ -0.0000001200000000, 0.0002337300000000, -0.0004269500000000 ] - [ -0.0000002000000000, -0.0024679600000000, 0.0004508800000000 ] - [ -0.0000000200000000, 0.0013764300000000, -0.0004516500000000 ] - [ -0.0103490400000000, 0.0038288500000000, 0.0138249100000000 ] - [ -0.0000268900000000, 0.0030953800000000, -0.0005696300000000 ] - [ 0.0000251500000000, 0.0025701800000000, 0.0008021600000000 ] - [ 0.0102635900000000, 0.0033182500000000, -0.0139489100000000 ] - [ -0.0001635400000000, -0.0468741900000000, -0.0000681100000000 ] - [ 0.0001553500000000, 0.0013965300000000, 0.0000758900000000 ] - [ -0.0001554400000000, 0.0013965600000000, 0.0000761800000000 ] - [ 0.0001546100000000, -0.0131301600000000, -0.0000758300000000 ] - [ -0.0001840300000000, 0.0004680200000000, 0.0003884100000000 ] - [ -0.0001843800000000, 0.0001807200000000, -0.0003888700000000 ] - [ 0.0001841400000000, 0.0001807500000000, -0.0003889400000000 ] - [ 0.0001837300000000, 0.0004679500000000, 0.0003882800000000 ] - [ 0.0001782500000000, -0.0003954700000000, 0.0036439500000000 ] - [ -0.0000029600000000, 0.0011909200000000, 0.0015771400000000 ] - [ 0.0000023500000000, 0.0011557900000000, -0.0017323500000000 ] - [ -0.0001782000000000, -0.0004282600000000, -0.0034906400000000 ] - [ 0.0005237100000000, 0.0024959500000000, 0.0005850900000000 ] - [ -0.0005163000000000, 0.0024899400000000, -0.0005922300000000 ] - [ 0.0107092400000000, 0.0037077000000000, -0.0126725800000000 ] - [ 0.0000018600000000, 0.0036306600000000, 0.0006929400000000 ] - [ -0.0000013100000000, 0.0034336100000000, -0.0001740700000000 ] - [ -0.0106182900000000, 0.0035222900000000, 0.0120306300000000 ] - [ 0.0002735200000000, 0.0015285600000000, 0.0007292700000000 ] - [ -0.0015506800000000, 0.0023944700000000, 0.0013945200000000 ] - [ -0.0014599500000000, 0.0018987900000000, -0.0014021600000000 ] - [ 0.0006506900000000, 0.0016006100000000, -0.0004400700000000 ] - [ 0.0017730400000000, 0.0023478800000000, -0.0013825900000000 ] - [ -0.0005061800000000, 0.0014917400000000, -0.0007359000000000 ] - [ -0.0004191100000000, 0.0016361700000000, 0.0004313700000000 ] - [ 0.0012364000000000, 0.0019434900000000, 0.0014126000000000 ] - [ -0.0000002300000000, 0.0005786900000000, 0.0004512500000000 ] - [ -0.0000000100000000, -0.0009109500000000, -0.0004515300000000 ] - [ 0.0000004900000000, 0.0003814600000000, -0.0000413500000000 ] - [ -0.0000007200000000, 0.0001004100000000, 0.0002272300000000 ] - [ -0.0000009600000000, -0.0004232900000000, 0.0000065200000000 ] - [ 0.0000004900000000, -0.0001423800000000, -0.0001928700000000 ] - [ -0.0001554400000000, 0.0000521400000000, -0.0000761100000000 ] - [ 0.0001552000000000, -0.0000559600000000, 0.0000758400000000 ] - [ -0.0001553400000000, -0.0000554800000000, 0.0000763300000000 ] - [ 0.0001550200000000, 0.0000521500000000, -0.0000763300000000 ] - [ -0.0003390700000000, -0.0003667000000000, 0.0006667100000000 ] - [ -0.0003456100000000, -0.0006625500000000, -0.0006743200000000 ] - [ 0.0003391600000000, -0.0006536200000000, -0.0006671400000000 ] - [ 0.0003449800000000, -0.0003754500000000, 0.0006738100000000 ] - [ -0.0000000400000000, 0.0000442800000000, 0.0002908700000000 ] - [ 0.0000001100000000, 0.0000013500000000, 0.0002679300000000 ] - [ -0.0000004500000000, -0.0000334000000000, -0.0004227400000000 ] - [ -0.0000001100000000, 0.0000087300000000, -0.0001373500000000 ] - [ -0.0000001500000000, -0.0000029200000000, -0.0000230300000000 ] - [ 0.0000001500000000, -0.0000028300000000, 0.0000230500000000 ] - [ -0.0000004100000000, 0.0002111500000000, -0.0002954200000000 ] - [ 0.0000001400000000, 0.0000071700000000, 0.0002324300000000 ] - [ 0.0000001700000000, -0.0001901300000000, 0.0002841300000000 ] - [ -0.0000004100000000, 0.0000136600000000, -0.0002217100000000 ] - [ -0.0001323400000000, 0.0000065800000000, 0.0000419800000000 ] - [ 0.0000772200000000, 0.0000472200000000, 0.0000884000000000 ] - [ -0.0001492300000000, 0.0000065400000000, -0.0000759000000000 ] - [ 0.0000937700000000, -0.0000346600000000, -0.0000545300000000 ] - [ 0.0001489600000000, 0.0000064900000000, -0.0000759400000000 ] - [ -0.0000940400000000, -0.0000346800000000, -0.0000545400000000 ] - [ 0.0001320900000000, 0.0000066200000000, 0.0000420800000000 ] - [ -0.0000774600000000, 0.0000472800000000, 0.0000882800000000 ]- atom: 39 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0000254300000000, -0.0005849000000000, -0.0035275000000000 ] - [ -0.0000024700000000, -0.0006993800000000, -0.0015908200000000 ] - [ -0.0000024700000000, 0.0006993800000000, -0.0015908200000000 ] - [ 0.0000254300000000, 0.0005849000000000, -0.0035275000000000 ] - [ 0.0002313900000000, -0.0029328000000000, 0.0101865800000000 ] - [ -0.0010113400000000, -0.0176289900000000, 0.0076704600000000 ] - [ -0.0010113400000000, 0.0176289900000000, 0.0076704600000000 ] - [ 0.0002313900000000, 0.0029328000000000, 0.0101865800000000 ] - [ -0.0014622700000000, -0.0156344200000000, -0.0032238000000000 ] - [ 0.0003513800000000, -0.0039999100000000, -0.0000568100000000 ] - [ 0.0003513800000000, 0.0039999100000000, -0.0000568100000000 ] - [ -0.0014622700000000, 0.0156344200000000, -0.0032238000000000 ] - [ -0.1052251300000000, 0.0000000000000000, 0.1133519000000000 ] - [ -0.0000094300000000, 0.0000000000000000, 0.0053716200000000 ] - [ -0.1131120000000000, 0.0000000000000000, 0.1164463900000000 ] - [ -0.0000083100000000, 0.0000000000000000, 0.0043874400000000 ] - [ 0.0000005500000000, 0.0001824600000000, -0.0022171800000000 ] - [ -0.0000092700000000, -0.0005881300000000, -0.0026821700000000 ] - [ -0.0000092700000000, 0.0005881300000000, -0.0026821700000000 ] - [ 0.0000005500000000, -0.0001824600000000, -0.0022171800000000 ] - [ -0.0000001900000000, 0.0000982800000000, -0.0021248800000000 ] - [ -0.0000001100000000, -0.0005970200000000, -0.0017148700000000 ] - [ -0.0000001100000000, 0.0005970200000000, -0.0017148700000000 ] - [ -0.0000001900000000, -0.0000982800000000, -0.0021248800000000 ] - [ -0.0000001000000000, 0.0001455600000000, -0.0026653200000000 ] - [ -0.0000000900000000, -0.0004685800000000, -0.0020014900000000 ] - [ -0.0000000900000000, 0.0004685800000000, -0.0020014900000000 ] - [ -0.0000001000000000, -0.0001455600000000, -0.0026653200000000 ] - [ -0.0000003300000000, 0.0000000000000000, -0.0022232900000000 ] - [ -0.0000002400000000, 0.0000000000000000, -0.0011151300000000 ] - [ -0.0000003000000000, 0.0000000000000000, -0.0013279000000000 ] - [ -0.0000002300000000, 0.0000000000000000, -0.0023524200000000 ] - [ -0.0000308000000000, 0.0000000000000000, 0.0020314600000000 ] - [ 0.0000000900000000, 0.0000000000000000, -0.0000383300000000 ] - [ -0.0163583600000000, 0.0205103200000000, 0.0147243900000000 ] - [ -0.0000755300000000, 0.0026617000000000, -0.0015699700000000 ] - [ -0.0000755300000000, -0.0026617000000000, -0.0015699700000000 ] - [ -0.0163583600000000, -0.0205103200000000, 0.0147243900000000 ] - [ 0.3026872700000000, 0.0000000000000000, -0.2600830100000000 ] - [ 0.0016451600000000, 0.0000000000000000, -0.0024332500000000 ] - [ -0.0016576000000000, 0.0000000000000000, -0.0024533700000000 ] - [ -0.0135068300000000, 0.0000000000000000, -0.0195964500000000 ] - [ -0.0005218100000000, 0.0002589200000000, 0.0009246300000000 ] - [ 0.0005191400000000, -0.0002575800000000, 0.0009213200000000 ] - [ -0.0005218100000000, -0.0002589200000000, 0.0009246300000000 ] - [ 0.0005191400000000, 0.0002575800000000, 0.0009213200000000 ] - [ 0.0002608900000000, 0.0016028300000000, 0.0026393600000000 ] - [ -0.0000428100000000, 0.0010849900000000, 0.0011820600000000 ] - [ -0.0000428100000000, -0.0010849900000000, 0.0011820600000000 ] - [ 0.0002608900000000, -0.0016028300000000, 0.0026393600000000 ] - [ 0.0000481900000000, -0.0036511100000000, -0.0093122200000000 ] - [ 0.0000481900000000, 0.0036511100000000, -0.0093122200000000 ] - [ -0.0160945400000000, -0.0211308800000000, 0.0095786200000000 ] - [ -0.0000492400000000, -0.0016791300000000, -0.0022207000000000 ] - [ -0.0000492400000000, 0.0016791300000000, -0.0022207000000000 ] - [ -0.0160945400000000, 0.0211308800000000, 0.0095786200000000 ] - [ 0.0029757200000000, 0.0037231500000000, -0.0025764900000000 ] - [ -0.0019218100000000, 0.0042412500000000, 0.0002098700000000 ] - [ 0.0011914400000000, -0.0030995100000000, -0.0001139000000000 ] - [ -0.0034562100000000, -0.0045437200000000, -0.0027912500000000 ] - [ -0.0019218100000000, -0.0042412500000000, 0.0002098700000000 ] - [ 0.0029757200000000, -0.0037231500000000, -0.0025764900000000 ] - [ -0.0034562100000000, 0.0045437200000000, -0.0027912500000000 ] - [ 0.0011914400000000, 0.0030995100000000, -0.0001139000000000 ] - [ -0.0000006200000000, 0.0000000000000000, 0.0011546700000000 ] - [ 0.0000039300000000, 0.0000000000000000, 0.0004822500000000 ] - [ 0.0000004600000000, 0.0006949800000000, 0.0007859100000000 ] - [ -0.0000007500000000, -0.0001654700000000, 0.0011130200000000 ] - [ -0.0000007500000000, 0.0001654700000000, 0.0011130200000000 ] - [ 0.0000004600000000, -0.0006949800000000, 0.0007859100000000 ] - [ -0.0006756000000000, 0.0000000000000000, 0.0007767700000000 ] - [ -0.0004134600000000, 0.0000000000000000, 0.0009890600000000 ] - [ 0.0004105000000000, 0.0000000000000000, 0.0010068600000000 ] - [ 0.0006751200000000, 0.0000000000000000, 0.0007765500000000 ] - [ -0.0008455000000000, 0.0003755200000000, 0.0013780300000000 ] - [ 0.0008573700000000, -0.0003626600000000, 0.0013987000000000 ] - [ -0.0008455000000000, -0.0003755200000000, 0.0013780300000000 ] - [ 0.0008573700000000, 0.0003626600000000, 0.0013987000000000 ] - [ -0.0000002500000000, -0.0004406700000000, 0.0017896600000000 ] - [ 0.0000009100000000, 0.0007524500000000, 0.0020153900000000 ] - [ 0.0000009100000000, -0.0007524500000000, 0.0020153900000000 ] - [ -0.0000002500000000, 0.0004406700000000, 0.0017896600000000 ] - [ 0.0000001100000000, 0.0002747200000000, 0.0015563100000000 ] - [ 0.0000001100000000, -0.0002747200000000, 0.0015563100000000 ] - [ -0.0000004400000000, -0.0003377300000000, 0.0003868000000000 ] - [ 0.0000001200000000, 0.0004942200000000, 0.0009678700000000 ] - [ 0.0000001200000000, -0.0004942200000000, 0.0009678700000000 ] - [ -0.0000004400000000, 0.0003377300000000, 0.0003868000000000 ] - [ -0.0005494100000000, -0.0002472400000000, 0.0008195600000000 ] - [ -0.0003772700000000, 0.0003799000000000, 0.0008726600000000 ] - [ 0.0003770100000000, -0.0003799300000000, 0.0008726800000000 ] - [ 0.0005490900000000, 0.0002472400000000, 0.0008196000000000 ] - [ -0.0003772700000000, -0.0003799000000000, 0.0008726600000000 ] - [ -0.0005494100000000, 0.0002472400000000, 0.0008195600000000 ] - [ 0.0005490900000000, -0.0002472400000000, 0.0008196000000000 ] - [ 0.0003770100000000, 0.0003799300000000, 0.0008726800000000 ]- atom: 39 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ -0.0000253500000000, 0.0005938900000000, 0.0032441500000000 ] - [ 0.0000023500000000, 0.0007104600000000, 0.0018703600000000 ] - [ 0.0000023500000000, -0.0007104600000000, 0.0018703600000000 ] - [ -0.0000253500000000, -0.0005938900000000, 0.0032441500000000 ] - [ -0.0002285800000000, 0.0025686900000000, -0.0105651900000000 ] - [ 0.0010225300000000, 0.0172660500000000, -0.0072990500000000 ] - [ 0.0010225300000000, -0.0172660500000000, -0.0072990500000000 ] - [ -0.0002285800000000, -0.0025686900000000, -0.0105651900000000 ] - [ 0.0014524500000000, 0.0155154600000000, 0.0023068800000000 ] - [ -0.0003526300000000, 0.0038924700000000, 0.0009722400000000 ] - [ -0.0003526300000000, -0.0038924700000000, 0.0009722400000000 ] - [ 0.0014524500000000, -0.0155154600000000, 0.0023068800000000 ] - [ 0.1103195300000000, 0.0000000000000000, -0.1165079400000000 ] - [ 0.0000092700000000, 0.0000000000000000, -0.0040974300000000 ] - [ 0.1080046200000000, 0.0000000000000000, -0.1137736100000000 ] - [ 0.0000081600000000, 0.0000000000000000, -0.0052436100000000 ] - [ -0.0000007000000000, -0.0001712700000000, 0.0019344700000000 ] - [ 0.0000091200000000, 0.0005986700000000, 0.0029616900000000 ] - [ 0.0000091200000000, -0.0005986700000000, 0.0029616900000000 ] - [ -0.0000007000000000, 0.0001712700000000, 0.0019344700000000 ] - [ 0.0000000600000000, -0.0004693000000000, 0.0017325200000000 ] - [ -0.0000001000000000, 0.0002259400000000, 0.0021048100000000 ] - [ -0.0000001000000000, -0.0002259400000000, 0.0021048100000000 ] - [ 0.0000000600000000, 0.0004693000000000, 0.0017325200000000 ] - [ -0.0000000200000000, -0.0002518300000000, 0.0017443800000000 ] - [ -0.0000000600000000, 0.0003620200000000, 0.0029199000000000 ] - [ -0.0000000600000000, -0.0003620200000000, 0.0029199000000000 ] - [ -0.0000000200000000, 0.0002518300000000, 0.0017443800000000 ] - [ 0.0000001300000000, 0.0000000000000000, 0.0009475600000000 ] - [ 0.0000000700000000, 0.0000000000000000, 0.0023888000000000 ] - [ 0.0000002100000000, 0.0000000000000000, 0.0021808100000000 ] - [ 0.0000001300000000, 0.0000000000000000, 0.0014969500000000 ] - [ 0.0000299800000000, 0.0000000000000000, -0.0011283600000000 ] - [ -0.0000000300000000, 0.0000000000000000, -0.0008652100000000 ] - [ 0.0161231600000000, -0.0197788100000000, -0.0148194400000000 ] - [ 0.0000745700000000, -0.0021382800000000, 0.0018042800000000 ] - [ 0.0000745700000000, 0.0021382800000000, 0.0018042800000000 ] - [ 0.0161231600000000, 0.0197788100000000, -0.0148194400000000 ] - [ -0.3029685800000000, 0.0000000000000000, 0.2600428800000000 ] - [ -0.0013352200000000, 0.0000000000000000, 0.0025851900000000 ] - [ 0.0013476200000000, 0.0000000000000000, 0.0026058300000000 ] - [ 0.0138244300000000, 0.0000000000000000, 0.0194428100000000 ] - [ 0.0005215200000000, 0.0000284500000000, -0.0009249200000000 ] - [ -0.0005191300000000, -0.0000297000000000, -0.0009216300000000 ] - [ 0.0005215200000000, -0.0000284500000000, -0.0009249200000000 ] - [ -0.0005191300000000, 0.0000297000000000, -0.0009216300000000 ] - [ -0.0002590300000000, -0.0015651900000000, -0.0024828700000000 ] - [ 0.0000429100000000, -0.0010497300000000, -0.0013359700000000 ] - [ 0.0000429100000000, 0.0010497300000000, -0.0013359700000000 ] - [ -0.0002590300000000, 0.0015651900000000, -0.0024828700000000 ] - [ -0.0000514700000000, 0.0036460600000000, 0.0093174300000000 ] - [ -0.0000514700000000, -0.0036460600000000, 0.0093174300000000 ] - [ 0.0163228800000000, 0.0215500400000000, -0.0102225000000000 ] - [ 0.0000492300000000, 0.0018762400000000, 0.0027360800000000 ] - [ 0.0000492300000000, -0.0018762400000000, 0.0027360800000000 ] - [ 0.0163228800000000, -0.0215500400000000, -0.0102225000000000 ] - [ -0.0031979600000000, -0.0036803300000000, 0.0025590300000000 ] - [ 0.0021534500000000, -0.0042094200000000, -0.0002003400000000 ] - [ -0.0014191400000000, 0.0030586800000000, 0.0001277800000000 ] - [ 0.0036734100000000, 0.0044901600000000, 0.0027732900000000 ] - [ 0.0021534500000000, 0.0042094200000000, -0.0002003400000000 ] - [ -0.0031979600000000, 0.0036803300000000, 0.0025590300000000 ] - [ 0.0036734100000000, -0.0044901600000000, 0.0027732900000000 ] - [ -0.0014191400000000, -0.0030586800000000, 0.0001277800000000 ] - [ 0.0000002700000000, 0.0000000000000000, -0.0002519000000000 ] - [ -0.0000038100000000, 0.0000000000000000, -0.0013856300000000 ] - [ 0.0000006300000000, -0.0001707700000000, -0.0010202500000000 ] - [ -0.0000008300000000, 0.0006892300000000, -0.0008796400000000 ] - [ -0.0000008300000000, -0.0006892300000000, -0.0008796400000000 ] - [ 0.0000006300000000, 0.0001707700000000, -0.0010202500000000 ] - [ 0.0003648100000000, 0.0000000000000000, -0.0009294200000000 ] - [ 0.0007236000000000, 0.0000000000000000, -0.0008377400000000 ] - [ -0.0007206100000000, 0.0000000000000000, -0.0008544500000000 ] - [ -0.0003649500000000, 0.0000000000000000, -0.0009296200000000 ] - [ 0.0008449900000000, -0.0000880000000000, -0.0013781100000000 ] - [ -0.0008571000000000, 0.0000750300000000, -0.0013986900000000 ] - [ 0.0008449900000000, 0.0000880000000000, -0.0013781100000000 ] - [ -0.0008571000000000, -0.0000750300000000, -0.0013986900000000 ] - [ 0.0000002000000000, 0.0004756800000000, -0.0016358100000000 ] - [ -0.0000011400000000, -0.0007171000000000, -0.0021693800000000 ] - [ -0.0000011400000000, 0.0007171000000000, -0.0021693800000000 ] - [ 0.0000002000000000, -0.0004756800000000, -0.0016358100000000 ] - [ -0.0000000100000000, -0.0002747800000000, -0.0015564000000000 ] - [ -0.0000000100000000, 0.0002747800000000, -0.0015564000000000 ] - [ -0.0000002700000000, 0.0005348800000000, -0.0009044400000000 ] - [ 0.0000002800000000, -0.0002966400000000, -0.0004518100000000 ] - [ 0.0000002800000000, 0.0002966400000000, -0.0004518100000000 ] - [ -0.0000002700000000, -0.0005348800000000, -0.0009044400000000 ] - [ 0.0003229300000000, 0.0002883400000000, -0.0008322600000000 ] - [ 0.0006032100000000, -0.0003387800000000, -0.0008606300000000 ] - [ -0.0006032500000000, 0.0003388200000000, -0.0008607200000000 ] - [ -0.0003229100000000, -0.0002883800000000, -0.0008321900000000 ] - [ 0.0006032100000000, 0.0003387800000000, -0.0008606300000000 ] - [ 0.0003229300000000, -0.0002883400000000, -0.0008322600000000 ] - [ -0.0003229100000000, 0.0002883800000000, -0.0008321900000000 ] - [ -0.0006032500000000, -0.0003388200000000, -0.0008607200000000 ]- atom: 43 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0000010800000000, -0.0002014300000000, 0.0015366200000000 ] - [ 0.1540225000000000, 0.0358463100000000, -0.1143744400000000 ] - [ 0.0006620700000000, -0.0116746500000000, -0.0091239700000000 ] - [ -0.0000006500000000, 0.0003078400000000, 0.0016905500000000 ] - [ -0.0000005700000000, -0.0008275800000000, 0.0007950700000000 ] - [ -0.0002982300000000, 0.0014269900000000, 0.0022214100000000 ] - [ 0.0000000400000000, 0.0000355200000000, 0.0005417700000000 ] - [ 0.0000033400000000, 0.0003625800000000, 0.0016778500000000 ] - [ -0.0000006300000000, -0.0002342600000000, 0.0011033800000000 ] - [ 0.0011905900000000, 0.0014506800000000, 0.0088711100000000 ] - [ 0.0000149200000000, -0.0013524700000000, 0.0003555400000000 ] - [ -0.0000016300000000, 0.0005464000000000, 0.0013601700000000 ] - [ 0.0000017700000000, 0.0009302800000000, 0.0002152100000000 ] - [ 0.0000026600000000, -0.0003357000000000, 0.0021289700000000 ] - [ -0.0000003000000000, 0.0002410300000000, 0.0015419100000000 ] - [ -0.0000060200000000, -0.0019539200000000, 0.0014368700000000 ] - [ 0.1628620600000000, -0.0380681000000000, -0.1221054300000000 ] - [ -0.0000010800000000, 0.0002119000000000, 0.0018181600000000 ] - [ -0.0000006200000000, -0.0003185800000000, 0.0019723500000000 ] - [ 0.0006633700000000, 0.0116470900000000, -0.0094054000000000 ] - [ -0.0002975600000000, -0.0018003300000000, 0.0018323000000000 ] - [ -0.0000004900000000, 0.0004570400000000, 0.0011853600000000 ] - [ 0.0000032700000000, 0.0000094600000000, 0.0020709700000000 ] - [ -0.0000000200000000, 0.0003334200000000, 0.0001472800000000 ] - [ 0.0011877800000000, -0.0015558400000000, 0.0079543500000000 ] - [ -0.0000006800000000, 0.0001272800000000, 0.0020229400000000 ] - [ -0.0000015900000000, -0.0004404300000000, 0.0022805500000000 ] - [ 0.0000149800000000, 0.0014585300000000, -0.0005722100000000 ] - [ 0.0000025500000000, 0.0003366900000000, 0.0008541700000000 ] - [ 0.0000017100000000, -0.0009333600000000, 0.0014899200000000 ] - [ -0.0000056500000000, 0.0019605200000000, 0.0022899300000000 ] - [ -0.0000002700000000, -0.0002418200000000, 0.0006877800000000 ] - [ -0.0000006500000000, -0.0000367400000000, -0.0001306400000000 ] - [ 0.0085290400000000, 0.0183495700000000, -0.0068744600000000 ] - [ 0.0000001300000000, -0.0000948200000000, -0.0007541600000000 ] - [ -0.0001200200000000, 0.0022693400000000, -0.0025051500000000 ] - [ -0.0000187700000000, 0.0008452900000000, 0.0000335700000000 ] - [ 0.0000000200000000, -0.0001664700000000, -0.0007177600000000 ] - [ 0.0001706200000000, -0.0001842100000000, -0.0005975600000000 ] - [ 0.0007223700000000, 0.0003389000000000, -0.0007689400000000 ] - [ -0.0007345000000000, 0.0003449700000000, -0.0007808700000000 ] - [ -0.0001702500000000, -0.0001840700000000, -0.0005954800000000 ] - [ -0.4415188500000000, 0.0024363400000000, 0.2744324600000000 ] - [ 0.0041374500000000, -0.0001426400000000, 0.0049612100000000 ] - [ -0.0039911500000000, -0.0001416200000000, 0.0044424300000000 ] - [ 0.0883813500000000, 0.0001325400000000, 0.0133637200000000 ] - [ -0.0000005200000000, 0.0004083200000000, -0.0012099300000000 ] - [ 0.0078222400000000, -0.0046920400000000, -0.0193046500000000 ] - [ -0.0001827300000000, 0.0019512500000000, 0.0009736600000000 ] - [ -0.0000002900000000, -0.0005110100000000, -0.0013915100000000 ] - [ -0.0000011700000000, 0.0000068900000000, -0.0005340500000000 ] - [ 0.0000477700000000, 0.0001695700000000, -0.0017436300000000 ] - [ -0.0000013100000000, -0.0000307100000000, -0.0003282600000000 ] - [ -0.0000008700000000, -0.0001055300000000, -0.0003157500000000 ] - [ -0.0000011500000000, 0.0005453200000000, -0.0003078300000000 ] - [ 0.0000411600000000, -0.0014201800000000, -0.0007838800000000 ] - [ 0.0001881500000000, 0.0002791100000000, -0.0005310700000000 ] - [ 0.0019984100000000, -0.0014721500000000, -0.0022472800000000 ] - [ -0.0003360000000000, 0.0002785600000000, -0.0000366700000000 ] - [ -0.0003183800000000, -0.0003228500000000, -0.0007556200000000 ] - [ 0.0003283200000000, 0.0002798200000000, -0.0000274400000000 ] - [ 0.0003201900000000, -0.0003234100000000, -0.0007599300000000 ] - [ -0.0001893000000000, 0.0002792100000000, -0.0005310200000000 ] - [ -0.0015234500000000, -0.0010609700000000, -0.0015333400000000 ] - [ 0.0084126400000000, -0.0184054400000000, -0.0060512500000000 ] - [ -0.0000001300000000, 0.0000367300000000, -0.0010329800000000 ] - [ -0.0001192000000000, -0.0017556900000000, -0.0027477800000000 ] - [ -0.0000010900000000, 0.0006189200000000, -0.0005203200000000 ] - [ -0.0000011800000000, -0.0003570700000000, -0.0004837800000000 ] - [ -0.0000175800000000, -0.0013724100000000, -0.0001974600000000 ] - [ 0.0004121000000000, -0.0003401800000000, -0.0009210600000000 ] - [ 0.0004812900000000, 0.0001847700000000, -0.0004456200000000 ] - [ -0.0004806400000000, 0.0001846500000000, -0.0004430000000000 ] - [ -0.0004245200000000, -0.0003462000000000, -0.0009334200000000 ] - [ 0.0004650500000000, 0.0001434500000000, -0.0007912200000000 ] - [ -0.0004991500000000, -0.0001436200000000, -0.0008722000000000 ] - [ 0.0004981900000000, -0.0001434400000000, -0.0008722700000000 ] - [ -0.0004658700000000, 0.0001435100000000, -0.0007912600000000 ] - [ 0.0077774800000000, 0.0047519000000000, -0.0193181200000000 ] - [ -0.0000005800000000, -0.0003735600000000, -0.0013639500000000 ] - [ -0.0000003900000000, 0.0004759900000000, -0.0015460700000000 ] - [ -0.0001809000000000, -0.0019862500000000, 0.0011331000000000 ] - [ 0.0000475900000000, -0.0001699700000000, -0.0017459900000000 ] - [ -0.0000011500000000, -0.0000071500000000, -0.0005323400000000 ] - [ -0.0000014200000000, 0.0003020600000000, -0.0008330500000000 ] - [ -0.0000007300000000, 0.0002302200000000, 0.0001891200000000 ] - [ 0.0000417100000000, 0.0012255100000000, -0.0002680200000000 ] - [ -0.0000017300000000, -0.0007433600000000, -0.0008245100000000 ] - [ 0.0017760400000000, 0.0015151700000000, -0.0022634200000000 ] - [ 0.0004142500000000, -0.0002383100000000, -0.0005180800000000 ] - [ -0.0005449600000000, 0.0002820900000000, -0.0007435800000000 ] - [ -0.0001086000000000, -0.0003186200000000, -0.0000469400000000 ] - [ 0.0005467600000000, 0.0002825800000000, -0.0007479400000000 ] - [ 0.0001010200000000, -0.0003198700000000, -0.0000379600000000 ] - [ -0.0013032600000000, 0.0011052100000000, -0.0015515500000000 ] - [ -0.0004154300000000, -0.0002383200000000, -0.0005182800000000 ]- atom: 43 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0000000300000000, -0.0001618800000000, -0.0000984700000000 ] - [ 0.0363127600000000, 0.0403892800000000, -0.0247938600000000 ] - [ 0.0000936800000000, -0.0085940600000000, 0.0004445000000000 ] - [ -0.0000000100000000, -0.0001473500000000, -0.0001963900000000 ] - [ -0.0000000800000000, -0.0000346800000000, 0.0004566000000000 ] - [ 0.0000617900000000, -0.0009252500000000, -0.0017633200000000 ] - [ 0.0000009900000000, -0.0013257000000000, 0.0015738000000000 ] - [ -0.0000013600000000, 0.0007970900000000, -0.0009439800000000 ] - [ -0.0000001600000000, -0.0004233100000000, -0.0003048700000000 ] - [ -0.0005630800000000, 0.0016154400000000, -0.0048514100000000 ] - [ 0.0000150100000000, -0.0009039400000000, 0.0046138400000000 ] - [ 0.0000006400000000, -0.0000899300000000, -0.0006628900000000 ] - [ -0.0000025800000000, -0.0016575400000000, -0.0009197200000000 ] - [ -0.0000061400000000, 0.0005684100000000, 0.0010305000000000 ] - [ 0.0000000100000000, -0.0004119300000000, 0.0002213000000000 ] - [ 0.0000244000000000, 0.0028954500000000, 0.0004424900000000 ] - [ -0.0363127600000000, 0.0403892800000000, 0.0247938600000000 ] - [ -0.0000000300000000, -0.0001618800000000, 0.0000984700000000 ] - [ 0.0000000100000000, -0.0001473500000000, 0.0001963900000000 ] - [ -0.0000936800000000, -0.0085940600000000, -0.0004445000000000 ] - [ -0.0000617900000000, -0.0009252500000000, 0.0017633200000000 ] - [ 0.0000000800000000, -0.0000346800000000, -0.0004566000000000 ] - [ 0.0000013600000000, 0.0007970900000000, 0.0009439800000000 ] - [ -0.0000009900000000, -0.0013257000000000, -0.0015738000000000 ] - [ 0.0005630800000000, 0.0016154400000000, 0.0048514100000000 ] - [ 0.0000001600000000, -0.0004233100000000, 0.0003048700000000 ] - [ -0.0000006400000000, -0.0000899300000000, 0.0006628900000000 ] - [ -0.0000150100000000, -0.0009039400000000, -0.0046138400000000 ] - [ 0.0000061400000000, 0.0005684100000000, -0.0010305000000000 ] - [ 0.0000025800000000, -0.0016575400000000, 0.0009197200000000 ] - [ -0.0000244000000000, 0.0028954500000000, -0.0004424900000000 ] - [ -0.0000000100000000, -0.0004119300000000, -0.0002213000000000 ] - [ -0.0000001100000000, 0.0001379100000000, 0.0004581600000000 ] - [ 0.0131253300000000, 0.0087688000000000, -0.0110797500000000 ] - [ 0.0000005600000000, 0.0005697700000000, -0.0000059500000000 ] - [ 0.0000945100000000, -0.0026447600000000, 0.0016471100000000 ] - [ -0.0000215700000000, -0.0015153300000000, -0.0015556900000000 ] - [ 0.0000005800000000, -0.0001204900000000, -0.0000855400000000 ] - [ -0.0002206500000000, 0.0003235800000000, 0.0000402700000000 ] - [ 0.0002691700000000, -0.0005094700000000, -0.0001562800000000 ] - [ -0.0002600500000000, -0.0005182900000000, -0.0001430100000000 ] - [ 0.0002201500000000, 0.0003236800000000, 0.0000383700000000 ] - [ 0.0000000000000000, -0.0694475700000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0016951200000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0017130700000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0127677700000000, 0.0000000000000000 ] - [ 0.0000000300000000, 0.0001197900000000, -0.0000270200000000 ] - [ -0.0059045800000000, -0.0031446700000000, 0.0117979800000000 ] - [ -0.0001874500000000, 0.0025392900000000, -0.0034251500000000 ] - [ -0.0000000100000000, 0.0000494600000000, 0.0001958300000000 ] - [ -0.0000006800000000, 0.0000046300000000, -0.0007844800000000 ] - [ -0.0000115500000000, -0.0002908100000000, 0.0011054900000000 ] - [ 0.0000004300000000, 0.0013870300000000, -0.0005590000000000 ] - [ 0.0000010000000000, -0.0004289800000000, 0.0001835200000000 ] - [ 0.0000015000000000, -0.0002936400000000, 0.0001684200000000 ] - [ -0.0000123000000000, 0.0009795200000000, 0.0003353000000000 ] - [ 0.0000097000000000, 0.0001134500000000, -0.0001829700000000 ] - [ -0.0005465600000000, 0.0003558400000000, 0.0015424200000000 ] - [ -0.0007989600000000, 0.0006996900000000, -0.0010343100000000 ] - [ 0.0001923600000000, -0.0000471000000000, 0.0001658200000000 ] - [ 0.0007927900000000, 0.0007006700000000, -0.0010246300000000 ] - [ -0.0001930200000000, -0.0000468800000000, 0.0001669300000000 ] - [ -0.0000096800000000, 0.0001133800000000, -0.0001829500000000 ] - [ 0.0003362200000000, 0.0000986400000000, 0.0012831700000000 ] - [ -0.0131253300000000, 0.0087688000000000, 0.0110797500000000 ] - [ 0.0000001100000000, 0.0001379100000000, -0.0004581600000000 ] - [ -0.0000945100000000, -0.0026447600000000, -0.0016471100000000 ] - [ -0.0000005600000000, 0.0005697700000000, 0.0000059500000000 ] - [ -0.0000005800000000, -0.0001204900000000, 0.0000855400000000 ] - [ 0.0000215700000000, -0.0015153300000000, 0.0015556900000000 ] - [ -0.0002691700000000, -0.0005094700000000, 0.0001562800000000 ] - [ 0.0002206500000000, 0.0003235800000000, -0.0000402700000000 ] - [ -0.0002201500000000, 0.0003236800000000, -0.0000383700000000 ] - [ 0.0002600500000000, -0.0005182900000000, 0.0001430100000000 ] - [ 0.0000000000000000, 0.0001933200000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0001052900000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0001037100000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0001932000000000, 0.0000000000000000 ] - [ 0.0059045800000000, -0.0031446700000000, -0.0117979800000000 ] - [ -0.0000000300000000, 0.0001197900000000, 0.0000270200000000 ] - [ 0.0000000100000000, 0.0000494600000000, -0.0001958300000000 ] - [ 0.0001874500000000, 0.0025392900000000, 0.0034251500000000 ] - [ 0.0000115500000000, -0.0002908100000000, -0.0011054900000000 ] - [ 0.0000006800000000, 0.0000046300000000, 0.0007844800000000 ] - [ -0.0000010000000000, -0.0004289800000000, -0.0001835200000000 ] - [ -0.0000004300000000, 0.0013870300000000, 0.0005590000000000 ] - [ 0.0000123000000000, 0.0009795200000000, -0.0003353000000000 ] - [ -0.0000015000000000, -0.0002936400000000, -0.0001684200000000 ] - [ 0.0005465600000000, 0.0003558400000000, -0.0015424200000000 ] - [ -0.0000097000000000, 0.0001134500000000, 0.0001829700000000 ] - [ -0.0001923600000000, -0.0000471000000000, -0.0001658200000000 ] - [ 0.0007989600000000, 0.0006996900000000, 0.0010343100000000 ] - [ 0.0001930200000000, -0.0000468800000000, -0.0001669300000000 ] - [ -0.0007927900000000, 0.0007006700000000, 0.0010246300000000 ] - [ -0.0003362200000000, 0.0000986400000000, -0.0012831700000000 ] - [ 0.0000096800000000, 0.0001133800000000, 0.0001829500000000 ]- atom: 43 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0000000400000000, 0.0001734200000000, -0.0001832400000000 ] - [ -0.0357249500000000, -0.0397508400000000, 0.0247689000000000 ] - [ -0.0000899700000000, 0.0085943700000000, -0.0001681700000000 ] - [ 0.0000000100000000, 0.0001376200000000, -0.0000851000000000 ] - [ 0.0000000200000000, -0.0003375300000000, -0.0008499300000000 ] - [ -0.0000637300000000, 0.0005608100000000, 0.0021586800000000 ] - [ -0.0000009400000000, 0.0016992000000000, -0.0011868800000000 ] - [ 0.0000013900000000, -0.0004268500000000, 0.0005551200000000 ] - [ 0.0000002100000000, 0.0003175400000000, -0.0006156600000000 ] - [ 0.0005697100000000, -0.0017182200000000, 0.0058185400000000 ] - [ -0.0000152700000000, 0.0010108000000000, -0.0037034100000000 ] - [ -0.0000005700000000, 0.0001981000000000, -0.0002566800000000 ] - [ 0.0000026200000000, 0.0016623400000000, -0.0003558200000000 ] - [ 0.0000062200000000, -0.0005700300000000, 0.0002440300000000 ] - [ 0.0000000000000000, 0.0004135200000000, 0.0006323800000000 ] - [ -0.0000246100000000, -0.0029063900000000, -0.0012972600000000 ] - [ 0.0357249500000000, -0.0397508400000000, -0.0247689000000000 ] - [ 0.0000000400000000, 0.0001734200000000, 0.0001832400000000 ] - [ -0.0000000100000000, 0.0001376200000000, 0.0000851000000000 ] - [ 0.0000899700000000, 0.0085943700000000, 0.0001681700000000 ] - [ 0.0000637300000000, 0.0005608100000000, -0.0021586800000000 ] - [ -0.0000000200000000, -0.0003375300000000, 0.0008499300000000 ] - [ -0.0000013900000000, -0.0004268500000000, -0.0005551200000000 ] - [ 0.0000009400000000, 0.0016992000000000, 0.0011868800000000 ] - [ -0.0005697100000000, -0.0017182200000000, -0.0058185400000000 ] - [ -0.0000002100000000, 0.0003175400000000, 0.0006156600000000 ] - [ 0.0000005700000000, 0.0001981000000000, 0.0002566800000000 ] - [ 0.0000152700000000, 0.0010108000000000, 0.0037034100000000 ] - [ -0.0000062200000000, -0.0005700300000000, -0.0002440300000000 ] - [ -0.0000026200000000, 0.0016623400000000, 0.0003558200000000 ] - [ 0.0000246100000000, -0.0029063900000000, 0.0012972600000000 ] - [ 0.0000000000000000, 0.0004135200000000, -0.0006323800000000 ] - [ -0.0000001200000000, -0.0001382800000000, 0.0004448500000000 ] - [ -0.0133111400000000, -0.0088875400000000, 0.0103743300000000 ] - [ 0.0000006600000000, -0.0000460900000000, -0.0002278000000000 ] - [ -0.0000956000000000, 0.0031789900000000, -0.0014207100000000 ] - [ 0.0000205500000000, 0.0009963200000000, 0.0017942900000000 ] - [ 0.0000006100000000, -0.0004044500000000, -0.0001480000000000 ] - [ -0.0000900700000000, -0.0003243100000000, -0.0001914800000000 ] - [ 0.0000415800000000, 0.0005115700000000, 0.0003084800000000 ] - [ -0.0000504200000000, 0.0005204400000000, 0.0002956800000000 ] - [ 0.0000902900000000, -0.0003244000000000, -0.0001908400000000 ] - [ 0.0000000000000000, 0.0686885600000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0019840200000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0020050400000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0130816200000000, 0.0000000000000000 ] - [ 0.0000000300000000, -0.0000845300000000, 0.0001818100000000 ] - [ 0.0058904900000000, 0.0031658200000000, -0.0119572000000000 ] - [ 0.0001884500000000, -0.0025797600000000, 0.0032780200000000 ] - [ 0.0000001000000000, -0.0000853000000000, -0.0000416900000000 ] - [ 0.0000006700000000, -0.0000038300000000, 0.0007871800000000 ] - [ 0.0000118200000000, 0.0002912700000000, -0.0011089000000000 ] - [ -0.0000009900000000, -0.0011921400000000, 0.0000435900000000 ] - [ -0.0000004400000000, 0.0006277000000000, 0.0003340400000000 ] - [ -0.0000009400000000, 0.0000977700000000, 0.0003485700000000 ] - [ 0.0000119000000000, -0.0011814500000000, -0.0008527800000000 ] - [ -0.0002361900000000, -0.0000721300000000, 0.0001711700000000 ] - [ 0.0007788400000000, -0.0003189400000000, -0.0015379100000000 ] - [ 0.0005740100000000, -0.0007417600000000, 0.0010490000000000 ] - [ 0.0000335500000000, 0.0000059400000000, -0.0001785600000000 ] - [ -0.0005678600000000, -0.0007427600000000, 0.0010393700000000 ] - [ -0.0000328700000000, 0.0000057500000000, -0.0001796700000000 ] - [ 0.0002362000000000, -0.0000719500000000, 0.0001713700000000 ] - [ -0.0005673200000000, -0.0000614300000000, -0.0012764500000000 ] - [ 0.0133111400000000, -0.0088875400000000, -0.0103743300000000 ] - [ 0.0000001200000000, -0.0001382800000000, -0.0004448500000000 ] - [ 0.0000956000000000, 0.0031789900000000, 0.0014207100000000 ] - [ -0.0000006600000000, -0.0000460900000000, 0.0002278000000000 ] - [ -0.0000006100000000, -0.0004044500000000, 0.0001480000000000 ] - [ -0.0000205500000000, 0.0009963200000000, -0.0017942900000000 ] - [ -0.0000415800000000, 0.0005115700000000, -0.0003084800000000 ] - [ 0.0000900700000000, -0.0003243100000000, 0.0001914800000000 ] - [ -0.0000902900000000, -0.0003244000000000, 0.0001908400000000 ] - [ 0.0000504200000000, 0.0005204400000000, -0.0002956800000000 ] - [ 0.0000000000000000, 0.0000946400000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0001841500000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0001831000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000947100000000, 0.0000000000000000 ] - [ -0.0058904900000000, 0.0031658200000000, 0.0119572000000000 ] - [ -0.0000000300000000, -0.0000845300000000, -0.0001818100000000 ] - [ -0.0000001000000000, -0.0000853000000000, 0.0000416900000000 ] - [ -0.0001884500000000, -0.0025797600000000, -0.0032780200000000 ] - [ -0.0000118200000000, 0.0002912700000000, 0.0011089000000000 ] - [ -0.0000006700000000, -0.0000038300000000, -0.0007871800000000 ] - [ 0.0000004400000000, 0.0006277000000000, -0.0003340400000000 ] - [ 0.0000009900000000, -0.0011921400000000, -0.0000435900000000 ] - [ -0.0000119000000000, -0.0011814500000000, 0.0008527800000000 ] - [ 0.0000009400000000, 0.0000977700000000, -0.0003485700000000 ] - [ -0.0007788400000000, -0.0003189400000000, 0.0015379100000000 ] - [ 0.0002361900000000, -0.0000721300000000, -0.0001711700000000 ] - [ -0.0000335500000000, 0.0000059400000000, 0.0001785600000000 ] - [ -0.0005740100000000, -0.0007417600000000, -0.0010490000000000 ] - [ 0.0000328700000000, 0.0000057500000000, 0.0001796700000000 ] - [ 0.0005678600000000, -0.0007427600000000, -0.0010393700000000 ] - [ 0.0005673200000000, -0.0000614300000000, 0.0012764500000000 ] - [ -0.0002362000000000, -0.0000719500000000, -0.0001713700000000 ]- atom: 43 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ -0.0000001200000000, 0.0003430000000000, -0.0030108900000000 ] - [ -0.1008257100000000, -0.0221912000000000, 0.1070033800000000 ] - [ -0.0009236900000000, 0.0124111500000000, 0.0125524200000000 ] - [ -0.0000002400000000, -0.0005607700000000, -0.0033251800000000 ] - [ 0.0000002500000000, 0.0009409200000000, -0.0017747100000000 ] - [ 0.0004196600000000, -0.0032544100000000, -0.0040035700000000 ] - [ -0.0000031600000000, 0.0001622200000000, -0.0001577400000000 ] - [ -0.0000071200000000, 0.0000059900000000, -0.0035829600000000 ] - [ 0.0000000900000000, 0.0001828800000000, -0.0031178400000000 ] - [ -0.0016466400000000, -0.0017136400000000, -0.0131694100000000 ] - [ -0.0000026700000000, 0.0021343200000000, 0.0017234900000000 ] - [ 0.0000022500000000, -0.0008213200000000, -0.0036447500000000 ] - [ -0.0000034100000000, -0.0019447300000000, -0.0021637500000000 ] - [ -0.0000089800000000, 0.0007050600000000, -0.0018743000000000 ] - [ -0.0000002900000000, -0.0004955500000000, -0.0015401500000000 ] - [ 0.0000404000000000, 0.0037933300000000, -0.0033248400000000 ] - [ -0.0963674800000000, 0.0212708000000000, 0.1052181400000000 ] - [ -0.0000001200000000, -0.0003325800000000, -0.0027294500000000 ] - [ -0.0000002100000000, 0.0005495800000000, -0.0030432200000000 ] - [ -0.0009145400000000, -0.0124581000000000, 0.0122624100000000 ] - [ 0.0004177700000000, 0.0028756000000000, -0.0043890600000000 ] - [ 0.0000003100000000, -0.0013099400000000, -0.0013864600000000 ] - [ -0.0000071200000000, 0.0003669400000000, -0.0031879900000000 ] - [ -0.0000031400000000, 0.0002052100000000, -0.0005557900000000 ] - [ -0.0016390500000000, 0.0016091500000000, -0.0140518300000000 ] - [ 0.0000000500000000, -0.0002901900000000, -0.0021989100000000 ] - [ 0.0000022400000000, 0.0009265500000000, -0.0027239600000000 ] - [ -0.0000027600000000, -0.0020279100000000, 0.0007866600000000 ] - [ -0.0000089500000000, -0.0007021700000000, -0.0031489800000000 ] - [ -0.0000034600000000, 0.0019379900000000, -0.0008899400000000 ] - [ 0.0000400400000000, -0.0037780100000000, -0.0024722700000000 ] - [ -0.0000002500000000, 0.0004937900000000, -0.0023948700000000 ] - [ -0.0000000900000000, 0.0000752200000000, 0.0014554500000000 ] - [ -0.0121342100000000, -0.0208260100000000, -0.0006662800000000 ] - [ 0.0000005100000000, 0.0009349800000000, 0.0010031700000000 ] - [ 0.0001121500000000, -0.0031439500000000, 0.0040017300000000 ] - [ -0.0000019900000000, -0.0023161100000000, -0.0001928500000000 ] - [ 0.0000006200000000, -0.0004054000000000, 0.0009281800000000 ] - [ -0.0007334800000000, 0.0003832700000000, 0.0008479400000000 ] - [ -0.0007109500000000, -0.0006620200000000, 0.0014527100000000 ] - [ 0.0007233400000000, -0.0006691800000000, 0.0014736600000000 ] - [ 0.0007311800000000, 0.0003831800000000, 0.0008438100000000 ] - [ 0.2743425700000000, 0.0010602000000000, -0.2349464000000000 ] - [ -0.0049674100000000, -0.0001442400000000, -0.0070261000000000 ] - [ 0.0044485200000000, -0.0001424700000000, -0.0061133500000000 ] - [ -0.0133558300000000, 0.0001486600000000, -0.0193110700000000 ] - [ 0.0000000500000000, -0.0006364700000000, 0.0022766600000000 ] - [ -0.0169772300000000, 0.0067751300000000, 0.0236764700000000 ] - [ 0.0001786300000000, -0.0017765000000000, -0.0023075900000000 ] - [ -0.0000003200000000, 0.0008460300000000, 0.0026303200000000 ] - [ 0.0000009400000000, -0.0000094200000000, 0.0007670200000000 ] - [ -0.0000738600000000, -0.0003427400000000, 0.0032044900000000 ] - [ 0.0000008200000000, 0.0005753300000000, -0.0001976000000000 ] - [ 0.0000018400000000, 0.0003411400000000, 0.0012330600000000 ] - [ 0.0000019900000000, -0.0012374600000000, 0.0012065900000000 ] - [ -0.0000597000000000, 0.0023873100000000, 0.0007773400000000 ] - [ -0.0006074900000000, -0.0004043200000000, 0.0008597800000000 ] - [ -0.0025556300000000, 0.0024059400000000, 0.0038975700000000 ] - [ 0.0000783600000000, -0.0003889400000000, -0.0001320300000000 ] - [ 0.0008721700000000, 0.0004944900000000, 0.0013216400000000 ] - [ -0.0000711900000000, -0.0003890600000000, -0.0001446700000000 ] - [ -0.0008766900000000, 0.0004953100000000, 0.0013284600000000 ] - [ 0.0006076500000000, -0.0004043900000000, 0.0008599900000000 ] - [ 0.0017686300000000, 0.0017564100000000, 0.0027247100000000 ] - [ -0.0120296700000000, 0.0207038700000000, 0.0002711800000000 ] - [ 0.0000001100000000, -0.0000745300000000, 0.0005530600000000 ] - [ 0.0001126200000000, 0.0036527600000000, 0.0037570900000000 ] - [ -0.0000007000000000, -0.0004102000000000, 0.0012371200000000 ] - [ -0.0000005800000000, -0.0001171600000000, 0.0011625100000000 ] - [ -0.0000005800000000, 0.0017850500000000, -0.0004194800000000 ] - [ -0.0010213500000000, 0.0006594400000000, 0.0013005500000000 ] - [ -0.0004229700000000, -0.0003817100000000, 0.0009995500000000 ] - [ 0.0004209500000000, -0.0003815900000000, 0.0009966400000000 ] - [ 0.0010333700000000, 0.0006666000000000, 0.0013208400000000 ] - [ -0.0007970900000000, 0.0001438300000000, 0.0013698500000000 ] - [ 0.0008665800000000, -0.0001438000000000, 0.0014987400000000 ] - [ -0.0008666200000000, -0.0001428300000000, 0.0014987300000000 ] - [ 0.0007972800000000, 0.0001438200000000, 0.0013698900000000 ] - [ -0.0166608200000000, -0.0065872900000000, 0.0235206900000000 ] - [ -0.0000000100000000, 0.0006719400000000, 0.0021229400000000 ] - [ -0.0000004400000000, -0.0008809000000000, 0.0024754100000000 ] - [ 0.0001772600000000, 0.0017467400000000, -0.0021420700000000 ] - [ -0.0000733300000000, 0.0003422900000000, 0.0031990000000000 ] - [ 0.0000009400000000, 0.0000088000000000, 0.0007710100000000 ] - [ 0.0000012400000000, -0.0001455700000000, 0.0007155200000000 ] - [ 0.0000013900000000, -0.0003735700000000, 0.0003213400000000 ] - [ -0.0000586300000000, -0.0025772700000000, 0.0012930900000000 ] - [ 0.0000014000000000, 0.0010386500000000, 0.0006895800000000 ] - [ -0.0027702400000000, -0.0023540600000000, 0.0038675700000000 ] - [ -0.0003815200000000, 0.0004453900000000, 0.0008732000000000 ] - [ 0.0006451500000000, -0.0005349300000000, 0.0013331700000000 ] - [ 0.0003069300000000, 0.0003495500000000, -0.0001401400000000 ] - [ -0.0006496500000000, -0.0005357800000000, 0.0013399000000000 ] - [ -0.0002997900000000, 0.0003497200000000, -0.0001528000000000 ] - [ 0.0019892600000000, -0.0017106700000000, 0.0027066500000000 ] - [ 0.0003816600000000, 0.0004455600000000, 0.0008731700000000 ]- atom: 47 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0248376300000000, 0.0004038200000000, -0.0006290100000000 ] - [ -0.0000001100000000, 0.0000051500000000, 0.0001400800000000 ] - [ -0.0000000500000000, -0.0000050100000000, 0.0001406200000000 ] - [ -0.0006689300000000, -0.0000178800000000, -0.0001382600000000 ] - [ -0.0133190300000000, -0.0001824000000000, -0.0001901800000000 ] - [ -0.0000001900000000, -0.0001874300000000, 0.0001952900000000 ] - [ 0.0001381800000000, 0.0001880600000000, 0.0001961000000000 ] - [ -0.0000144400000000, 0.0001834100000000, -0.0001958100000000 ] - [ 0.0247090000000000, -0.0001167600000000, 0.0001677400000000 ] - [ 0.0000009900000000, -0.0000543500000000, 0.0004593900000000 ] - [ -0.0000371300000000, 0.0000544300000000, 0.0004600200000000 ] - [ 0.0000433300000000, 0.0000508000000000, -0.0004605200000000 ] - [ 0.0001673800000000, 0.0000012500000000, -0.0006408400000000 ] - [ 0.0000618100000000, -0.0000022300000000, 0.0006384400000000 ] - [ -0.0004688300000000, -0.0000186500000000, 0.0004217500000000 ] - [ 0.0000137900000000, -0.0000003300000000, -0.0004258300000000 ] - [ 0.0000002300000000, 0.0000053800000000, -0.0001414000000000 ] - [ -0.0138016200000000, 0.0000110300000000, 0.0001401500000000 ] - [ 0.0002003100000000, -0.0000032700000000, 0.0001439000000000 ] - [ -0.0000001500000000, -0.0000050700000000, -0.0001410100000000 ] - [ -0.0000001400000000, -0.0001853600000000, -0.0001960900000000 ] - [ -0.0000232000000000, -0.0001855200000000, 0.0001945100000000 ] - [ 0.0000018300000000, 0.0001851100000000, 0.0001959100000000 ] - [ 0.0000004300000000, 0.0001859000000000, -0.0001965000000000 ] - [ 0.0000002500000000, -0.0000532500000000, -0.0004605000000000 ] - [ 0.0000953900000000, -0.0000525900000000, 0.0004585800000000 ] - [ -0.0000046200000000, 0.0000533200000000, 0.0004613600000000 ] - [ -0.0000007600000000, 0.0000535300000000, -0.0004603900000000 ] - [ 0.0000002900000000, -0.0000003500000000, -0.0006378600000000 ] - [ 0.0000008100000000, 0.0000002700000000, 0.0006369200000000 ] - [ -0.0000005100000000, 0.0000000400000000, 0.0004264800000000 ] - [ -0.0000075300000000, 0.0000010600000000, -0.0004274900000000 ] - [ -0.0045915200000000, 0.0000176200000000, 0.0004374800000000 ] - [ -0.0000002800000000, 0.0000002700000000, -0.0004512900000000 ] - [ -0.0058377900000000, 0.0002742600000000, -0.0000862600000000 ] - [ 0.0000012000000000, 0.0002640800000000, 0.0001165300000000 ] - [ -0.0000040700000000, -0.0002611100000000, 0.0001164000000000 ] - [ -0.0000522100000000, -0.0002592000000000, -0.0001180400000000 ] - [ -0.0003873100000000, 0.0001801500000000, 0.0001868500000000 ] - [ 0.0001864800000000, 0.0000034200000000, 0.0000325800000000 ] - [ -0.0001246100000000, -0.0000019000000000, 0.0001184700000000 ] - [ -0.0000701000000000, -0.0001762600000000, -0.0003334900000000 ] - [ -0.0000000100000000, 0.0001436200000000, 0.0000060900000000 ] - [ 0.0000002100000000, -0.0001434500000000, -0.0000056900000000 ] - [ -0.0000003200000000, -0.0001433900000000, -0.0000064000000000 ] - [ -0.0000003800000000, 0.0001437000000000, 0.0000060600000000 ] - [ -0.0479789500000000, -0.0003804300000000, -0.0000925400000000 ] - [ -0.0000004200000000, 0.0000179600000000, -0.0000739500000000 ] - [ 0.0000069300000000, -0.0000176500000000, -0.0000802000000000 ] - [ 0.0000467700000000, -0.0000149200000000, 0.0000753500000000 ] - [ 0.0017996400000000, -0.0000016600000000, -0.0000024500000000 ] - [ 0.0000003000000000, 0.0000009800000000, -0.0000002700000000 ] - [ -0.0000250900000000, 0.0000968800000000, -0.0002576500000000 ] - [ -0.0000091700000000, 0.0001006800000000, 0.0002588200000000 ] - [ 0.0016128600000000, -0.0000964600000000, 0.0002572900000000 ] - [ -0.0000452300000000, -0.0000968900000000, -0.0002575900000000 ] - [ 0.0071211300000000, 0.0074973500000000, -0.0149498400000000 ] - [ 0.0001115500000000, 0.0000226600000000, 0.0000063900000000 ] - [ -0.0000640100000000, -0.0000293900000000, 0.0000791500000000 ] - [ 0.0001148300000000, -0.0000187700000000, 0.0000008700000000 ] - [ 0.0001618100000000, -0.0000126000000000, -0.0000663600000000 ] - [ -0.0001130400000000, -0.0000195600000000, -0.0000121200000000 ] - [ 0.0073418200000000, -0.0073919900000000, 0.0148203200000000 ] - [ -0.0001139400000000, 0.0000198500000000, 0.0000060200000000 ] - [ -0.0000003000000000, 0.0000001100000000, 0.0004513900000000 ] - [ 0.0019651000000000, -0.0000026100000000, -0.0004519100000000 ] - [ 0.0000004000000000, 0.0002612400000000, -0.0001167900000000 ] - [ -0.0000034800000000, 0.0002623900000000, 0.0001175400000000 ] - [ 0.0000009300000000, -0.0002611800000000, 0.0001165100000000 ] - [ 0.0000004000000000, -0.0002630200000000, -0.0001169500000000 ] - [ -0.0001556400000000, 0.0000001700000000, -0.0000760800000000 ] - [ 0.0001546200000000, -0.0000001300000000, 0.0000773300000000 ] - [ -0.0001556600000000, 0.0000003900000000, 0.0000753900000000 ] - [ 0.0001551300000000, 0.0000001700000000, -0.0000759900000000 ] - [ 0.0077996600000000, 0.0060234500000000, -0.0167434900000000 ] - [ -0.0001838400000000, 0.0000459000000000, -0.0001862900000000 ] - [ -0.0001792600000000, -0.0003298500000000, 0.0001696200000000 ] - [ 0.0078025900000000, -0.0057715300000000, 0.0168923000000000 ] - [ -0.0000001500000000, 0.0000178300000000, 0.0000803200000000 ] - [ 0.0017576900000000, 0.0000179500000000, -0.0000730500000000 ] - [ -0.0000596700000000, -0.0000171400000000, -0.0000820300000000 ] - [ -0.0000001100000000, -0.0000174200000000, 0.0000744100000000 ] - [ -0.0000005800000000, 0.0000002600000000, -0.0000000100000000 ] - [ 0.0000057100000000, -0.0000000400000000, 0.0000007000000000 ] - [ -0.0000010200000000, 0.0000992300000000, -0.0002585500000000 ] - [ -0.0000001700000000, 0.0000988200000000, 0.0002586800000000 ] - [ -0.0000001500000000, -0.0000986000000000, 0.0002583400000000 ] - [ 0.0000031100000000, -0.0000981200000000, -0.0002583500000000 ] - [ -0.0001134000000000, 0.0000207300000000, -0.0000064700000000 ] - [ 0.0001565300000000, -0.0000137600000000, -0.0000486100000000 ] - [ -0.0001150100000000, -0.0000192400000000, 0.0000038200000000 ] - [ 0.0001132300000000, -0.0000203400000000, -0.0000053200000000 ] - [ 0.0001117200000000, -0.0000209300000000, 0.0000084400000000 ] - [ -0.0001132900000000, -0.0000204100000000, -0.0000059800000000 ] - [ 0.0001129200000000, 0.0000207500000000, -0.0000064100000000 ] - [ -0.0000694900000000, 0.0000549500000000, 0.0000614100000000 ]- atom: 47 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0000000000000000, 0.1231969700000000, -0.1167936200000000 ] - [ 0.0000000000000000, -0.0002827500000000, 0.0014402900000000 ] - [ 0.0000000000000000, -0.0006319800000000, 0.0020940700000000 ] - [ 0.0000000000000000, -0.0133850700000000, -0.0002786600000000 ] - [ 0.0000000000000000, -0.0056129500000000, 0.0080609400000000 ] - [ 0.0000000000000000, -0.0004694600000000, -0.0003992300000000 ] - [ 0.0000000000000000, 0.0034885900000000, 0.0050448700000000 ] - [ 0.0000000000000000, -0.0038054800000000, -0.0024636000000000 ] - [ 0.0000000000000000, 0.0371904300000000, -0.0279859600000000 ] - [ 0.0000000000000000, -0.0013702800000000, 0.0014272300000000 ] - [ 0.0000000000000000, -0.0005463300000000, 0.0028579400000000 ] - [ 0.0000000000000000, -0.0027579700000000, -0.0065414600000000 ] - [ 0.0000000000000000, 0.0022085400000000, -0.0027184500000000 ] - [ 0.0000000000000000, -0.0059607100000000, 0.0026299600000000 ] - [ 0.0000000000000000, -0.0000096200000000, -0.0033135800000000 ] - [ 0.0000000000000000, -0.0015180300000000, 0.0016985800000000 ] - [ 0.0000000000000000, -0.0003811500000000, 0.0012956100000000 ] - [ 0.0000000000000000, 0.0015602300000000, 0.0042172400000000 ] - [ 0.0000000000000000, -0.0014678600000000, 0.0036443200000000 ] - [ 0.0000000000000000, 0.0001110700000000, 0.0015741100000000 ] - [ 0.0000000000000000, -0.0005310400000000, 0.0010544400000000 ] - [ 0.0000000000000000, 0.0006172500000000, 0.0012516600000000 ] - [ 0.0000000000000000, -0.0006481400000000, 0.0014488100000000 ] - [ 0.0000000000000000, 0.0005939000000000, 0.0010434000000000 ] - [ 0.0000000000000000, -0.0003830500000000, 0.0009817900000000 ] - [ 0.0000000000000000, 0.0012074500000000, 0.0029706700000000 ] - [ 0.0000000000000000, -0.0009206100000000, 0.0028623100000000 ] - [ 0.0000000000000000, 0.0003443300000000, 0.0010793900000000 ] - [ 0.0000000000000000, -0.0001172000000000, 0.0001036000000000 ] - [ 0.0000000000000000, 0.0000481000000000, 0.0019675300000000 ] - [ 0.0000000000000000, -0.0000526300000000, 0.0014034800000000 ] - [ 0.0000000000000000, 0.0000582700000000, 0.0011554600000000 ] - [ 0.0000000000000000, 0.0281168600000000, -0.0106287300000000 ] - [ 0.0000000000000000, 0.0003764100000000, -0.0010174500000000 ] - [ 0.0000000000000000, -0.0020570000000000, 0.0144290200000000 ] - [ 0.0000000000000000, 0.0017578300000000, -0.0009847500000000 ] - [ 0.0000000000000000, -0.0001126500000000, -0.0007207800000000 ] - [ 0.0000000000000000, -0.0008709500000000, 0.0022793400000000 ] - [ -0.0015096800000000, -0.0004034000000000, 0.0015143100000000 ] - [ 0.0007970000000000, 0.0011711100000000, -0.0009902600000000 ] - [ -0.0007970000000000, 0.0011711100000000, -0.0009902600000000 ] - [ 0.0015096800000000, -0.0004034000000000, 0.0015143100000000 ] - [ 0.0003894800000000, 0.0002471900000000, -0.0006451500000000 ] - [ -0.0004913200000000, -0.0000762900000000, -0.0008659800000000 ] - [ 0.0004913200000000, -0.0000762900000000, -0.0008659800000000 ] - [ -0.0003894800000000, 0.0002471900000000, -0.0006451500000000 ] - [ 0.0000000000000000, -0.1742359000000000, 0.1827928200000000 ] - [ 0.0000000000000000, 0.0000347400000000, -0.0008834800000000 ] - [ 0.0000000000000000, 0.0006043400000000, -0.0018519900000000 ] - [ 0.0000000000000000, 0.0039354000000000, 0.0049392500000000 ] - [ 0.0000000000000000, -0.0018414500000000, -0.0076029600000000 ] - [ 0.0000000000000000, 0.0004935000000000, 0.0008400300000000 ] - [ 0.0000000000000000, -0.0023624800000000, -0.0001316300000000 ] - [ 0.0000000000000000, 0.0037514900000000, 0.0009105800000000 ] - [ 0.0000000000000000, 0.0051768900000000, -0.0020063100000000 ] - [ 0.0000000000000000, -0.0002019100000000, 0.0001145700000000 ] - [ 0.0102723500000000, 0.0016136700000000, -0.0158530100000000 ] - [ -0.0000742500000000, 0.0003429600000000, 0.0000459900000000 ] - [ -0.0007815600000000, -0.0000893500000000, -0.0013498200000000 ] - [ 0.0014845500000000, 0.0016698700000000, 0.0017386400000000 ] - [ 0.0007815600000000, -0.0000893500000000, -0.0013498200000000 ] - [ -0.0014845500000000, 0.0016698700000000, 0.0017386400000000 ] - [ -0.0102723500000000, 0.0016136700000000, -0.0158530100000000 ] - [ 0.0000742500000000, 0.0003429600000000, 0.0000459900000000 ] - [ 0.0000000000000000, 0.0001539900000000, -0.0000699400000000 ] - [ 0.0000000000000000, 0.0004652600000000, -0.0016153400000000 ] - [ 0.0000000000000000, 0.0001031100000000, -0.0006403800000000 ] - [ 0.0000000000000000, 0.0003921100000000, -0.0007533600000000 ] - [ 0.0000000000000000, -0.0004836800000000, -0.0007739200000000 ] - [ 0.0000000000000000, -0.0000325300000000, -0.0006807200000000 ] - [ 0.0001307100000000, 0.0000268600000000, -0.0005314600000000 ] - [ 0.0006046200000000, -0.0000149400000000, -0.0006559000000000 ] - [ -0.0006046200000000, -0.0000149400000000, -0.0006559000000000 ] - [ -0.0001307100000000, 0.0000268600000000, -0.0005314600000000 ] - [ 0.0047126800000000, -0.0029813300000000, -0.0066640100000000 ] - [ -0.0019555400000000, 0.0024037300000000, -0.0017564400000000 ] - [ 0.0019555400000000, 0.0024037300000000, -0.0017564400000000 ] - [ -0.0047126800000000, -0.0029813300000000, -0.0066640100000000 ] - [ 0.0000000000000000, 0.0004295200000000, -0.0010919800000000 ] - [ 0.0000000000000000, -0.0018637400000000, -0.0033541800000000 ] - [ 0.0000000000000000, 0.0012098300000000, -0.0025728500000000 ] - [ 0.0000000000000000, -0.0004133900000000, -0.0012031600000000 ] - [ 0.0000000000000000, -0.0000645700000000, -0.0009953900000000 ] - [ 0.0000000000000000, 0.0000530800000000, -0.0009435700000000 ] - [ 0.0000000000000000, 0.0006740100000000, -0.0005629500000000 ] - [ 0.0000000000000000, -0.0003105100000000, -0.0002428900000000 ] - [ 0.0000000000000000, 0.0002519700000000, -0.0002318800000000 ] - [ 0.0000000000000000, -0.0005563700000000, -0.0004836800000000 ] - [ 0.0002080000000000, 0.0002713500000000, -0.0005562100000000 ] - [ 0.0006681200000000, -0.0006127700000000, -0.0006792600000000 ] - [ -0.0006250000000000, 0.0005339500000000, -0.0007163400000000 ] - [ -0.0002133200000000, -0.0002756300000000, -0.0005723800000000 ] - [ 0.0006250000000000, 0.0005339500000000, -0.0007163400000000 ] - [ 0.0002133200000000, -0.0002756300000000, -0.0005723800000000 ] - [ -0.0002080000000000, 0.0002713500000000, -0.0005562100000000 ] - [ -0.0006681200000000, -0.0006127700000000, -0.0006792600000000 ]- atom: 47 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0000000000000000, -0.1257633500000000, 0.1221200400000000 ] - [ 0.0000000000000000, 0.0002943900000000, -0.0011708300000000 ] - [ 0.0000000000000000, 0.0006261300000000, -0.0018273200000000 ] - [ 0.0000000000000000, 0.0134737800000000, 0.0000086200000000 ] - [ 0.0000000000000000, 0.0052860700000000, -0.0084991400000000 ] - [ 0.0000000000000000, 0.0000842900000000, 0.0007945600000000 ] - [ 0.0000000000000000, -0.0031192700000000, -0.0046806400000000 ] - [ 0.0000000000000000, 0.0041892600000000, 0.0020943300000000 ] - [ 0.0000000000000000, -0.0377174300000000, 0.0279413900000000 ] - [ 0.0000000000000000, 0.0012650300000000, -0.0005163100000000 ] - [ 0.0000000000000000, 0.0006629600000000, -0.0019544900000000 ] - [ 0.0000000000000000, 0.0028574500000000, 0.0056916000000000 ] - [ 0.0000000000000000, -0.0022188800000000, 0.0014276500000000 ] - [ 0.0000000000000000, 0.0059920900000000, -0.0013580400000000 ] - [ 0.0000000000000000, -0.0000969700000000, 0.0041486400000000 ] - [ 0.0000000000000000, 0.0015266500000000, -0.0025575500000000 ] - [ 0.0000000000000000, 0.0003952400000000, -0.0015903200000000 ] - [ 0.0000000000000000, -0.0015582500000000, -0.0039357700000000 ] - [ 0.0000000000000000, 0.0014481700000000, -0.0033998400000000 ] - [ 0.0000000000000000, -0.0001226400000000, -0.0018694500000000 ] - [ 0.0000000000000000, 0.0001622600000000, -0.0014578600000000 ] - [ 0.0000000000000000, -0.0009900600000000, -0.0008698800000000 ] - [ 0.0000000000000000, 0.0010238600000000, -0.0010695100000000 ] - [ 0.0000000000000000, -0.0002250500000000, -0.0014455000000000 ] - [ 0.0000000000000000, 0.0002791100000000, -0.0019149900000000 ] - [ 0.0000000000000000, -0.0013176100000000, -0.0020607600000000 ] - [ 0.0000000000000000, 0.0010310700000000, -0.0019614900000000 ] - [ 0.0000000000000000, -0.0002388900000000, -0.0020124100000000 ] - [ 0.0000000000000000, 0.0001192200000000, -0.0013868500000000 ] - [ 0.0000000000000000, -0.0000486100000000, -0.0007031000000000 ] - [ 0.0000000000000000, 0.0000535500000000, -0.0005595900000000 ] - [ 0.0000000000000000, -0.0000607200000000, -0.0020212100000000 ] - [ 0.0000000000000000, -0.0287086900000000, 0.0117751600000000 ] - [ 0.0000000000000000, -0.0003784100000000, 0.0001195900000000 ] - [ 0.0000000000000000, 0.0026826500000000, -0.0146715800000000 ] - [ 0.0000000000000000, -0.0012360300000000, 0.0012232700000000 ] - [ 0.0000000000000000, -0.0004135000000000, 0.0009578000000000 ] - [ 0.0000000000000000, 0.0003874200000000, -0.0025446100000000 ] - [ 0.0011895300000000, 0.0004193100000000, -0.0016546300000000 ] - [ -0.0004883700000000, -0.0011767400000000, 0.0011451400000000 ] - [ 0.0004883700000000, -0.0011767400000000, 0.0011451400000000 ] - [ -0.0011895300000000, 0.0004193100000000, -0.0016546300000000 ] - [ -0.0003923500000000, 0.0000397100000000, 0.0006629900000000 ] - [ 0.0004956600000000, -0.0002112600000000, 0.0008607700000000 ] - [ -0.0004956600000000, -0.0002112600000000, 0.0008607700000000 ] - [ 0.0003923500000000, 0.0000397100000000, 0.0006629900000000 ] - [ 0.0000000000000000, 0.1777377200000000, -0.1892876000000000 ] - [ 0.0000000000000000, 0.0000023700000000, 0.0007431300000000 ] - [ 0.0000000000000000, -0.0006447900000000, 0.0017048100000000 ] - [ 0.0000000000000000, -0.0039965800000000, -0.0048442400000000 ] - [ 0.0000000000000000, 0.0018436200000000, 0.0076248300000000 ] - [ 0.0000000000000000, -0.0004895000000000, -0.0008515800000000 ] - [ 0.0000000000000000, 0.0025617600000000, -0.0003793800000000 ] - [ 0.0000000000000000, -0.0035700400000000, -0.0003996700000000 ] - [ 0.0000000000000000, -0.0054095800000000, 0.0025318200000000 ] - [ 0.0000000000000000, 0.0000185600000000, -0.0006258400000000 ] - [ -0.0104740400000000, -0.0016323700000000, 0.0157993700000000 ] - [ 0.0002993500000000, -0.0002994400000000, -0.0000325000000000 ] - [ 0.0005604500000000, 0.0000447800000000, 0.0013714000000000 ] - [ -0.0012654600000000, -0.0017144200000000, -0.0017665000000000 ] - [ -0.0005604500000000, 0.0000447800000000, 0.0013714000000000 ] - [ 0.0012654600000000, -0.0017144200000000, -0.0017665000000000 ] - [ 0.0104740400000000, -0.0016323700000000, 0.0157993700000000 ] - [ -0.0002993500000000, -0.0002994400000000, -0.0000325000000000 ] - [ 0.0000000000000000, -0.0001547900000000, 0.0009774500000000 ] - [ 0.0000000000000000, -0.0004476600000000, 0.0007164900000000 ] - [ 0.0000000000000000, 0.0004211300000000, 0.0004118100000000 ] - [ 0.0000000000000000, 0.0001339300000000, 0.0009921000000000 ] - [ 0.0000000000000000, -0.0000336200000000, 0.0010154100000000 ] - [ 0.0000000000000000, -0.0004962100000000, 0.0004521300000000 ] - [ -0.0004441300000000, -0.0000270500000000, 0.0003840700000000 ] - [ -0.0002976400000000, 0.0000159900000000, 0.0008140200000000 ] - [ 0.0002976400000000, 0.0000159900000000, 0.0008140200000000 ] - [ 0.0004441300000000, -0.0000270500000000, 0.0003840700000000 ] - [ -0.0047315600000000, 0.0033266600000000, 0.0066966600000000 ] - [ 0.0019822300000000, -0.0027155100000000, 0.0017672000000000 ] - [ -0.0019822300000000, -0.0027155100000000, 0.0017672000000000 ] - [ 0.0047315600000000, 0.0033266600000000, 0.0066966600000000 ] - [ 0.0000000000000000, -0.0003973300000000, 0.0012625700000000 ] - [ 0.0000000000000000, 0.0019046200000000, 0.0032165900000000 ] - [ 0.0000000000000000, -0.0012506300000000, 0.0024338100000000 ] - [ 0.0000000000000000, 0.0003816300000000, 0.0013622500000000 ] - [ 0.0000000000000000, 0.0000664000000000, 0.0010052000000000 ] - [ 0.0000000000000000, -0.0000541400000000, 0.0009519800000000 ] - [ 0.0000000000000000, -0.0004805900000000, 0.0000501000000000 ] - [ 0.0000000000000000, 0.0005112600000000, 0.0007642400000000 ] - [ 0.0000000000000000, -0.0004510600000000, 0.0007522900000000 ] - [ 0.0000000000000000, 0.0003614700000000, -0.0000304600000000 ] - [ -0.0004369900000000, -0.0002317400000000, 0.0005482100000000 ] - [ -0.0004443200000000, 0.0006559500000000, 0.0006954900000000 ] - [ 0.0004024000000000, -0.0005777100000000, 0.0007358400000000 ] - [ 0.0004423000000000, 0.0002366900000000, 0.0005655500000000 ] - [ -0.0004024000000000, -0.0005777100000000, 0.0007358400000000 ] - [ -0.0004423000000000, 0.0002366900000000, 0.0005655500000000 ] - [ 0.0004369900000000, -0.0002317400000000, 0.0005482100000000 ] - [ 0.0004443200000000, 0.0006559500000000, 0.0006954900000000 ]- atom: 47 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0000000000000000, -0.1187379400000000, 0.1857699100000000 ] - [ 0.0000000000000000, -0.0000854100000000, -0.0043358300000000 ] - [ 0.0000000000000000, 0.0014225800000000, -0.0053824200000000 ] - [ 0.0000000000000000, 0.0132025100000000, 0.0081645100000000 ] - [ 0.0000000000000000, 0.0108262400000000, -0.0098365600000000 ] - [ 0.0000000000000000, -0.0034447600000000, -0.0000682700000000 ] - [ 0.0000000000000000, -0.0009462200000000, -0.0082541300000000 ] - [ 0.0000000000000000, 0.0031558000000000, 0.0040346100000000 ] - [ 0.0000000000000000, -0.0314763500000000, 0.2611118500000000 ] - [ 0.0000000000000000, 0.0002625300000000, -0.0032406800000000 ] - [ 0.0000000000000000, 0.0026802500000000, -0.0054646400000000 ] - [ 0.0000000000000000, -0.0020272200000000, 0.0132919900000000 ] - [ 0.0000000000000000, -0.0030615300000000, -0.0045700900000000 ] - [ 0.0000000000000000, 0.0082284700000000, -0.0011100900000000 ] - [ 0.0000000000000000, -0.0213327700000000, -0.0024996800000000 ] - [ 0.0000000000000000, 0.0022677600000000, -0.0031975500000000 ] - [ 0.0000000000000000, 0.0008421900000000, -0.0048762400000000 ] - [ 0.0000000000000000, 0.0034420100000000, -0.0149423800000000 ] - [ 0.0000000000000000, 0.0099465700000000, 0.0024024000000000 ] - [ 0.0000000000000000, -0.0006120000000000, -0.0054291100000000 ] - [ 0.0000000000000000, 0.0009558500000000, -0.0037278100000000 ] - [ 0.0000000000000000, -0.0025069900000000, -0.0049281800000000 ] - [ 0.0000000000000000, 0.0009166700000000, -0.0025943700000000 ] - [ 0.0000000000000000, -0.0004760200000000, -0.0047805700000000 ] - [ 0.0000000000000000, 0.0005373200000000, -0.0050907300000000 ] - [ 0.0000000000000000, -0.0015273000000000, -0.0090550100000000 ] - [ 0.0000000000000000, 0.0021960000000000, -0.0024441200000000 ] - [ 0.0000000000000000, -0.0008588500000000, -0.0055320700000000 ] - [ 0.0000000000000000, -0.0011228500000000, -0.0036898800000000 ] - [ 0.0000000000000000, 0.0003570200000000, -0.0032262700000000 ] - [ 0.0000000000000000, -0.0002244600000000, -0.0031474500000000 ] - [ 0.0000000000000000, 0.0019537600000000, -0.0048341600000000 ] - [ 0.0000000000000000, -0.0197509200000000, -0.0040828600000000 ] - [ 0.0000000000000000, -0.0005387500000000, 0.0012006300000000 ] - [ 0.0000000000000000, 0.0269451500000000, 0.0281203500000000 ] - [ 0.0000000000000000, -0.0014646500000000, 0.0019592100000000 ] - [ 0.0000000000000000, -0.0009992500000000, 0.0015692900000000 ] - [ 0.0000000000000000, 0.0083863000000000, -0.0063008800000000 ] - [ -0.0024236400000000, 0.0035548400000000, 0.0024797000000000 ] - [ -0.0006667000000000, -0.0016475200000000, 0.0013327900000000 ] - [ 0.0006667000000000, -0.0016475200000000, 0.0013327900000000 ] - [ 0.0024236400000000, 0.0035548400000000, 0.0024797000000000 ] - [ -0.0012879500000000, 0.0000387800000000, 0.0022003000000000 ] - [ 0.0014638900000000, -0.0002614800000000, 0.0025465700000000 ] - [ -0.0014638900000000, -0.0002614800000000, 0.0025465700000000 ] - [ 0.0012879500000000, 0.0000387800000000, 0.0022003000000000 ] - [ 0.0000000000000000, 0.1887142600000000, -0.5446008500000000 ] - [ 0.0000000000000000, 0.0008294500000000, 0.0031191300000000 ] - [ 0.0000000000000000, -0.0017922800000000, 0.0045909300000000 ] - [ 0.0000000000000000, -0.0048918400000000, -0.0107803700000000 ] - [ 0.0000000000000000, 0.0010796000000000, 0.0096274500000000 ] - [ 0.0000000000000000, 0.0005538800000000, -0.0017094600000000 ] - [ 0.0000000000000000, 0.0010237400000000, 0.0013911900000000 ] - [ 0.0000000000000000, -0.0038632900000000, -0.0012369900000000 ] - [ 0.0000000000000000, -0.0095977600000000, 0.0025856100000000 ] - [ 0.0000000000000000, 0.0031532900000000, 0.0013806500000000 ] - [ -0.0162524900000000, -0.0111855400000000, 0.0178185700000000 ] - [ -0.0004015200000000, 0.0006666900000000, 0.0008618400000000 ] - [ 0.0015980600000000, -0.0010663700000000, 0.0029393800000000 ] - [ -0.0012503900000000, -0.0008000200000000, -0.0032213400000000 ] - [ -0.0015980600000000, -0.0010663700000000, 0.0029393800000000 ] - [ 0.0012503900000000, -0.0008000200000000, -0.0032213400000000 ] - [ 0.0162524900000000, -0.0111855400000000, 0.0178185700000000 ] - [ 0.0004015200000000, 0.0006666900000000, 0.0008618400000000 ] - [ 0.0000000000000000, -0.0001573400000000, 0.0021218800000000 ] - [ 0.0000000000000000, -0.0108523300000000, 0.0026364400000000 ] - [ 0.0000000000000000, 0.0011737500000000, 0.0017737400000000 ] - [ 0.0000000000000000, -0.0019059200000000, 0.0034976200000000 ] - [ 0.0000000000000000, -0.0008736000000000, 0.0014397700000000 ] - [ 0.0000000000000000, -0.0009527000000000, 0.0017812300000000 ] - [ -0.0012087500000000, 0.0002112700000000, 0.0016334300000000 ] - [ -0.0011221000000000, -0.0003425000000000, 0.0021649400000000 ] - [ 0.0011221000000000, -0.0003425000000000, 0.0021649400000000 ] - [ 0.0012087500000000, 0.0002112700000000, 0.0016334300000000 ] - [ -0.0194320400000000, -0.0118284600000000, 0.0237265100000000 ] - [ -0.0010688400000000, -0.0034836000000000, -0.0022389900000000 ] - [ 0.0010688400000000, -0.0034836000000000, -0.0022389900000000 ] - [ 0.0194320400000000, -0.0118284600000000, 0.0237265100000000 ] - [ 0.0000000000000000, -0.0011585300000000, 0.0038398700000000 ] - [ 0.0000000000000000, 0.0033050900000000, 0.0098830800000000 ] - [ 0.0000000000000000, -0.0025188200000000, 0.0019388500000000 ] - [ 0.0000000000000000, 0.0012639900000000, 0.0041850200000000 ] - [ 0.0000000000000000, 0.0003262300000000, 0.0025607600000000 ] - [ 0.0000000000000000, -0.0005298300000000, 0.0039191100000000 ] - [ 0.0000000000000000, -0.0003018000000000, 0.0006337400000000 ] - [ 0.0000000000000000, 0.0008844200000000, 0.0017884900000000 ] - [ 0.0000000000000000, -0.0013309400000000, 0.0017537200000000 ] - [ 0.0000000000000000, 0.0019218000000000, 0.0012384700000000 ] - [ -0.0010290800000000, -0.0006569700000000, 0.0016365300000000 ] - [ -0.0015967200000000, 0.0015215600000000, 0.0028679400000000 ] - [ 0.0007381900000000, -0.0008558100000000, 0.0011475800000000 ] - [ 0.0011937100000000, 0.0007184800000000, 0.0019333600000000 ] - [ -0.0007381900000000, -0.0008558100000000, 0.0011475800000000 ] - [ -0.0011937100000000, 0.0007184800000000, 0.0019333600000000 ] - [ 0.0010290800000000, -0.0006569700000000, 0.0016365300000000 ] - [ 0.0015967200000000, 0.0015215600000000, 0.0028679400000000 ]- atom: 47 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.1110163700000000, -0.1785005200000000 ] - [ 0.0000000000000000, 0.0000958500000000, 0.0046283000000000 ] - [ 0.0000000000000000, -0.0014397400000000, 0.0056804600000000 ] - [ 0.0000000000000000, -0.0133487500000000, -0.0084437400000000 ] - [ 0.0000000000000000, -0.0112393800000000, 0.0094730900000000 ] - [ 0.0000000000000000, 0.0030859300000000, 0.0004518500000000 ] - [ 0.0000000000000000, 0.0013253700000000, 0.0086762500000000 ] - [ 0.0000000000000000, -0.0028025200000000, -0.0044529100000000 ] - [ 0.0000000000000000, 0.0341267900000000, -0.2794038500000000 ] - [ 0.0000000000000000, -0.0003725200000000, 0.0041678900000000 ] - [ 0.0000000000000000, -0.0025845200000000, 0.0064034600000000 ] - [ 0.0000000000000000, 0.0021320700000000, -0.0142822200000000 ] - [ 0.0000000000000000, 0.0030774200000000, 0.0033011200000000 ] - [ 0.0000000000000000, -0.0082673000000000, 0.0023858000000000 ] - [ 0.0000000000000000, 0.0214126100000000, 0.0033408500000000 ] - [ 0.0000000000000000, -0.0022792700000000, 0.0023498900000000 ] - [ 0.0000000000000000, -0.0008336000000000, 0.0046067800000000 ] - [ 0.0000000000000000, -0.0034353500000000, 0.0152457000000000 ] - [ 0.0000000000000000, -0.0099416500000000, -0.0020757700000000 ] - [ 0.0000000000000000, 0.0006014700000000, 0.0051623500000000 ] - [ 0.0000000000000000, -0.0013283700000000, 0.0033480100000000 ] - [ 0.0000000000000000, 0.0021370900000000, 0.0053282600000000 ] - [ 0.0000000000000000, -0.0005497700000000, 0.0029980100000000 ] - [ 0.0000000000000000, 0.0008495000000000, 0.0043994500000000 ] - [ 0.0000000000000000, -0.0006457100000000, 0.0041834300000000 ] - [ 0.0000000000000000, 0.0014230900000000, 0.0099828300000000 ] - [ 0.0000000000000000, -0.0020912800000000, 0.0033845700000000 ] - [ 0.0000000000000000, 0.0009667600000000, 0.0046256200000000 ] - [ 0.0000000000000000, 0.0011213100000000, 0.0024240300000000 ] - [ 0.0000000000000000, -0.0003563400000000, 0.0045106000000000 ] - [ 0.0000000000000000, 0.0002237900000000, 0.0040114400000000 ] - [ 0.0000000000000000, -0.0019502900000000, 0.0039901400000000 ] - [ 0.0000000000000000, 0.0200146400000000, 0.0048272600000000 ] - [ 0.0000000000000000, 0.0005417000000000, -0.0021075400000000 ] - [ 0.0000000000000000, -0.0267336000000000, -0.0287320000000000 ] - [ 0.0000000000000000, 0.0019981800000000, -0.0017310700000000 ] - [ 0.0000000000000000, 0.0004822900000000, -0.0013392800000000 ] - [ 0.0000000000000000, -0.0089524400000000, 0.0061016600000000 ] - [ 0.0021245600000000, -0.0035737700000000, -0.0026419900000000 ] - [ 0.0009790600000000, 0.0016557200000000, -0.0011843800000000 ] - [ -0.0009790600000000, 0.0016557200000000, -0.0011843800000000 ] - [ -0.0021245600000000, -0.0035737700000000, -0.0026419900000000 ] - [ 0.0012920500000000, 0.0002481800000000, -0.0021949600000000 ] - [ -0.0014677700000000, -0.0000245400000000, -0.0025668900000000 ] - [ 0.0014677700000000, -0.0000245400000000, -0.0025668900000000 ] - [ -0.0012920500000000, 0.0002481800000000, -0.0021949600000000 ] - [ 0.0000000000000000, -0.1834916400000000, 0.5551289100000000 ] - [ 0.0000000000000000, -0.0007968800000000, -0.0032752300000000 ] - [ 0.0000000000000000, 0.0017639000000000, -0.0047662700000000 ] - [ 0.0000000000000000, 0.0048896900000000, 0.0109769700000000 ] - [ 0.0000000000000000, -0.0010865800000000, -0.0096769300000000 ] - [ 0.0000000000000000, -0.0005566000000000, 0.0017223500000000 ] - [ 0.0000000000000000, -0.0008347100000000, -0.0019116500000000 ] - [ 0.0000000000000000, 0.0040818400000000, 0.0017631400000000 ] - [ 0.0000000000000000, 0.0094534400000000, -0.0020781100000000 ] - [ 0.0000000000000000, -0.0033630700000000, -0.0019020900000000 ] - [ 0.0162399500000000, 0.0113697000000000, -0.0180668800000000 ] - [ 0.0006282300000000, -0.0006277000000000, -0.0008503900000000 ] - [ -0.0018308800000000, 0.0010290300000000, -0.0029375200000000 ] - [ 0.0014853800000000, 0.0007660400000000, 0.0032256100000000 ] - [ 0.0018308800000000, 0.0010290300000000, -0.0029375200000000 ] - [ -0.0014853800000000, 0.0007660400000000, 0.0032256100000000 ] - [ -0.0162399500000000, 0.0113697000000000, -0.0180668800000000 ] - [ -0.0006282300000000, -0.0006277000000000, -0.0008503900000000 ] - [ 0.0000000000000000, 0.0001584300000000, -0.0012245100000000 ] - [ 0.0000000000000000, 0.0108103600000000, -0.0035336800000000 ] - [ 0.0000000000000000, -0.0006538400000000, -0.0020136100000000 ] - [ 0.0000000000000000, 0.0024320100000000, -0.0032677700000000 ] - [ 0.0000000000000000, 0.0003462100000000, -0.0012142300000000 ] - [ 0.0000000000000000, 0.0004292900000000, -0.0020218000000000 ] - [ 0.0009015100000000, -0.0002110200000000, -0.0017913600000000 ] - [ 0.0014356000000000, 0.0003419800000000, -0.0020185600000000 ] - [ -0.0014356000000000, 0.0003419800000000, -0.0020185600000000 ] - [ -0.0009015100000000, -0.0002110200000000, -0.0017913600000000 ] - [ 0.0192009500000000, 0.0119286000000000, -0.0234667700000000 ] - [ 0.0010440600000000, 0.0032184100000000, 0.0022021100000000 ] - [ -0.0010440600000000, 0.0032184100000000, 0.0022021100000000 ] - [ -0.0192009500000000, 0.0119286000000000, -0.0234667700000000 ] - [ 0.0000000000000000, 0.0011965100000000, -0.0036916400000000 ] - [ 0.0000000000000000, -0.0032656200000000, -0.0100315600000000 ] - [ 0.0000000000000000, 0.0024871800000000, -0.0021208000000000 ] - [ 0.0000000000000000, -0.0013018400000000, -0.0040492100000000 ] - [ 0.0000000000000000, -0.0003279500000000, -0.0025716800000000 ] - [ 0.0000000000000000, 0.0005312100000000, -0.0039275700000000 ] - [ 0.0000000000000000, 0.0005029600000000, -0.0011546900000000 ] - [ 0.0000000000000000, -0.0006901300000000, -0.0012768200000000 ] - [ 0.0000000000000000, 0.0011356000000000, -0.0012431700000000 ] - [ 0.0000000000000000, -0.0021197200000000, -0.0017593100000000 ] - [ 0.0008054800000000, 0.0006994800000000, -0.0016558200000000 ] - [ 0.0018249400000000, -0.0014821400000000, -0.0028593600000000 ] - [ -0.0009684000000000, 0.0008180100000000, -0.0011413800000000 ] - [ -0.0009698700000000, -0.0007609300000000, -0.0019510700000000 ] - [ 0.0009684000000000, 0.0008180100000000, -0.0011413800000000 ] - [ 0.0009698700000000, -0.0007609300000000, -0.0019510700000000 ] - [ -0.0008054800000000, 0.0006994800000000, -0.0016558200000000 ] - [ -0.0018249400000000, -0.0014821400000000, -0.0028593600000000 ]- atom: 51 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0001435000000000, 0.0000047900000000, -0.0001414600000000 ] - [ -0.0000059200000000, 0.0000041900000000, 0.0001406400000000 ] - [ 0.0001435000000000, -0.0000047900000000, 0.0001414600000000 ] - [ -0.0000059200000000, -0.0000041900000000, -0.0001406400000000 ] - [ 0.0258893600000000, -0.0003877600000000, -0.0006968700000000 ] - [ 0.0000342700000000, -0.0001882300000000, 0.0001952600000000 ] - [ 0.0258893600000000, 0.0003877600000000, 0.0006968700000000 ] - [ 0.0000342700000000, 0.0001882300000000, -0.0001952600000000 ] - [ -0.0143555300000000, -0.0000642400000000, -0.0004718400000000 ] - [ -0.0000117000000000, -0.0000557000000000, 0.0004600400000000 ] - [ -0.0143555300000000, 0.0000642400000000, 0.0004718400000000 ] - [ -0.0000117000000000, 0.0000557000000000, -0.0004600400000000 ] - [ 0.0009748400000000, -0.0000155600000000, -0.0006129700000000 ] - [ 0.0009748400000000, 0.0000155600000000, 0.0006129700000000 ] - [ -0.0011294400000000, 0.0000109300000000, 0.0004275000000000 ] - [ -0.0011294400000000, -0.0000109300000000, -0.0004275000000000 ] - [ 0.0000009100000000, 0.0000049700000000, -0.0001406900000000 ] - [ -0.0000300700000000, 0.0000051200000000, 0.0001400600000000 ] - [ 0.0000009100000000, -0.0000049700000000, 0.0001406900000000 ] - [ -0.0000300700000000, -0.0000051200000000, -0.0001400600000000 ] - [ -0.0000001800000000, -0.0001856300000000, -0.0001957800000000 ] - [ -0.0000013300000000, -0.0001856100000000, 0.0001956200000000 ] - [ -0.0000001800000000, 0.0001856300000000, 0.0001957800000000 ] - [ -0.0000013300000000, 0.0001856100000000, -0.0001956200000000 ] - [ -0.0000003700000000, -0.0000534700000000, -0.0004599500000000 ] - [ 0.0000003500000000, -0.0000534800000000, 0.0004596000000000 ] - [ -0.0000003700000000, 0.0000534700000000, 0.0004599500000000 ] - [ 0.0000003500000000, 0.0000534800000000, -0.0004596000000000 ] - [ -0.0000004600000000, 0.0000000500000000, -0.0006371700000000 ] - [ -0.0000004600000000, -0.0000000500000000, 0.0006371700000000 ] - [ -0.0000003000000000, -0.0000000100000000, 0.0004272400000000 ] - [ -0.0000003000000000, 0.0000000100000000, -0.0004272400000000 ] - [ -0.0000148000000000, -0.0000004100000000, 0.0004520400000000 ] - [ -0.0000148000000000, 0.0000004100000000, -0.0004520400000000 ] - [ 0.0016334400000000, 0.0002598500000000, -0.0001128500000000 ] - [ 0.0000775600000000, 0.0002655000000000, 0.0001165900000000 ] - [ 0.0016334400000000, -0.0002598500000000, 0.0001128500000000 ] - [ 0.0000775600000000, -0.0002655000000000, -0.0001165900000000 ] - [ -0.0001279200000000, 0.0005176000000000, -0.0000311400000000 ] - [ 0.0001734400000000, 0.0005223500000000, 0.0001308700000000 ] - [ -0.0001279200000000, -0.0005176000000000, 0.0000311400000000 ] - [ 0.0001734400000000, -0.0005223500000000, -0.0001308700000000 ] - [ -0.0000007700000000, 0.0001431500000000, 0.0000068400000000 ] - [ 0.0000477700000000, -0.0001554100000000, 0.0000672100000000 ] - [ 0.0000476300000000, -0.0001320800000000, -0.0000799600000000 ] - [ -0.0000015200000000, 0.0001445100000000, 0.0000049300000000 ] - [ 0.0017993400000000, 0.0000187500000000, 0.0000816100000000 ] - [ -0.0000000300000000, 0.0000181400000000, -0.0000741600000000 ] - [ 0.0017993400000000, -0.0000187500000000, -0.0000816100000000 ] - [ -0.0000000300000000, -0.0000181400000000, 0.0000741600000000 ] - [ -0.0476194900000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0000268200000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0055214900000000, 0.0001156400000000, -0.0002500800000000 ] - [ -0.0000216200000000, 0.0000938100000000, 0.0002607800000000 ] - [ -0.0055214900000000, -0.0001156400000000, 0.0002500800000000 ] - [ -0.0000216200000000, -0.0000938100000000, -0.0002607800000000 ] - [ 0.0069927600000000, 0.0013662600000000, -0.0157217500000000 ] - [ 0.0001135400000000, 0.0000202100000000, 0.0000011200000000 ] - [ 0.0069927600000000, -0.0013662600000000, 0.0157217500000000 ] - [ 0.0001135400000000, -0.0000202100000000, -0.0000011200000000 ] - [ 0.0072240700000000, 0.0013181500000000, -0.0158426500000000 ] - [ -0.0001113100000000, -0.0000229300000000, -0.0000111800000000 ] - [ 0.0072240700000000, -0.0013181500000000, 0.0158426500000000 ] - [ -0.0001113100000000, 0.0000229300000000, 0.0000111800000000 ] - [ 0.0000056100000000, 0.0000000500000000, 0.0004514700000000 ] - [ 0.0000056100000000, -0.0000000500000000, -0.0004514700000000 ] - [ -0.0000005100000000, 0.0002609500000000, -0.0001169400000000 ] - [ -0.0000005600000000, 0.0002631100000000, 0.0001170900000000 ] - [ -0.0000005100000000, -0.0002609500000000, 0.0001169400000000 ] - [ -0.0000005600000000, -0.0002631100000000, -0.0001170900000000 ] - [ -0.0001556800000000, -0.0000001300000000, -0.0000763600000000 ] - [ 0.0001548900000000, -0.0000000300000000, 0.0000765000000000 ] - [ -0.0001556800000000, 0.0000001300000000, 0.0000763600000000 ] - [ 0.0001548900000000, 0.0000000300000000, -0.0000765000000000 ] - [ 0.0000477700000000, 0.0001554100000000, -0.0000672100000000 ] - [ -0.0000007700000000, -0.0001431500000000, -0.0000068400000000 ] - [ -0.0000015200000000, -0.0001445100000000, -0.0000049300000000 ] - [ 0.0000476300000000, 0.0001320800000000, 0.0000799600000000 ] - [ -0.0000008700000000, 0.0000178300000000, 0.0000800000000000 ] - [ 0.0000054100000000, 0.0000177300000000, -0.0000739100000000 ] - [ -0.0000008700000000, -0.0000178300000000, -0.0000800000000000 ] - [ 0.0000054100000000, -0.0000177300000000, 0.0000739100000000 ] - [ -0.0000005300000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0000003400000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0000005100000000, 0.0000986500000000, -0.0002584400000000 ] - [ -0.0000004700000000, 0.0000987000000000, 0.0002586900000000 ] - [ -0.0000005100000000, -0.0000986500000000, 0.0002584400000000 ] - [ -0.0000004700000000, -0.0000987000000000, -0.0002586900000000 ] - [ -0.0001136200000000, 0.0000206000000000, -0.0000064600000000 ] - [ 0.0001127400000000, 0.0000205000000000, 0.0000055300000000 ] - [ -0.0001136200000000, -0.0000206000000000, 0.0000064600000000 ] - [ 0.0001127400000000, -0.0000205000000000, -0.0000055300000000 ] - [ 0.0001125400000000, -0.0000206500000000, 0.0000064100000000 ] - [ -0.0001134200000000, -0.0000207100000000, -0.0000062200000000 ] - [ 0.0001125400000000, 0.0000206500000000, -0.0000064100000000 ] - [ -0.0001134200000000, 0.0000207100000000, 0.0000062200000000 ]- atom: 51 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0000000000000000, 0.0014701500000000, -0.0007387600000000 ] - [ 0.0000000000000000, 0.0000745300000000, 0.0005279500000000 ] - [ 0.0000000000000000, 0.0014784500000000, -0.0004707600000000 ] - [ 0.0000000000000000, 0.0000514400000000, 0.0002380900000000 ] - [ 0.0000000000000000, 0.0569461200000000, 0.0658628700000000 ] - [ 0.0000000000000000, -0.0066521700000000, 0.0016068500000000 ] - [ 0.0000000000000000, 0.0576686800000000, 0.0650254200000000 ] - [ 0.0000000000000000, -0.0062916800000000, 0.0012086900000000 ] - [ 0.0000000000000000, 0.0086859700000000, 0.0011802600000000 ] - [ 0.0000000000000000, -0.0040742900000000, 0.0017442700000000 ] - [ 0.0000000000000000, 0.0088955200000000, 0.0020945800000000 ] - [ 0.0000000000000000, -0.0039723700000000, 0.0008098200000000 ] - [ 0.0000000000000000, -0.0163019400000000, 0.0073474000000000 ] - [ 0.0000000000000000, -0.0163583100000000, 0.0086458200000000 ] - [ 0.0000000000000000, -0.0007188200000000, 0.0089968300000000 ] - [ 0.0000000000000000, -0.0006995400000000, 0.0081870800000000 ] - [ 0.0000000000000000, 0.0001661700000000, -0.0003287800000000 ] - [ 0.0000000000000000, 0.0003001300000000, -0.0005246900000000 ] - [ 0.0000000000000000, 0.0001507000000000, -0.0000509200000000 ] - [ 0.0000000000000000, 0.0002936800000000, -0.0008113900000000 ] - [ 0.0000000000000000, -0.0001869400000000, -0.0007437300000000 ] - [ 0.0000000000000000, -0.0002158000000000, -0.0004721800000000 ] - [ 0.0000000000000000, 0.0001847600000000, -0.0003526700000000 ] - [ 0.0000000000000000, 0.0001545300000000, -0.0008639700000000 ] - [ 0.0000000000000000, -0.0000670000000000, -0.0009763100000000 ] - [ 0.0000000000000000, -0.0000110700000000, -0.0002659400000000 ] - [ 0.0000000000000000, 0.0000387000000000, -0.0000575700000000 ] - [ 0.0000000000000000, 0.0000956200000000, -0.0011878000000000 ] - [ 0.0000000000000000, -0.0000282400000000, -0.0011717200000000 ] - [ 0.0000000000000000, -0.0000294500000000, 0.0001031300000000 ] - [ 0.0000000000000000, 0.0000560700000000, -0.0001272600000000 ] - [ 0.0000000000000000, 0.0000546300000000, -0.0009811600000000 ] - [ 0.0000000000000000, -0.0005781700000000, 0.0002131300000000 ] - [ 0.0000000000000000, -0.0005909800000000, -0.0006905600000000 ] - [ 0.0000000000000000, -0.0046148200000000, -0.0041726400000000 ] - [ 0.0000000000000000, 0.0034514900000000, -0.0028107900000000 ] - [ 0.0000000000000000, -0.0051790300000000, -0.0039643700000000 ] - [ 0.0000000000000000, 0.0029263300000000, -0.0030346000000000 ] - [ 0.0027330700000000, 0.0024886400000000, -0.0037174800000000 ] - [ 0.0030574700000000, 0.0024969200000000, -0.0035794000000000 ] - [ -0.0030574700000000, 0.0024969200000000, -0.0035794000000000 ] - [ -0.0027330700000000, 0.0024886400000000, -0.0037174800000000 ] - [ 0.0000079600000000, 0.0001463900000000, -0.0000045200000000 ] - [ 0.0001711700000000, -0.0004356900000000, 0.0003387100000000 ] - [ -0.0001711700000000, -0.0004356900000000, 0.0003387100000000 ] - [ -0.0000079600000000, 0.0001463900000000, -0.0000045200000000 ] - [ 0.0000000000000000, -0.0018144100000000, 0.0011518900000000 ] - [ 0.0000000000000000, 0.0005054400000000, -0.0006351900000000 ] - [ 0.0000000000000000, -0.0018719900000000, 0.0010140800000000 ] - [ 0.0000000000000000, 0.0004764000000000, -0.0004749200000000 ] - [ 0.0000000000000000, -0.1122082700000000, -0.1787246000000000 ] - [ 0.0000000000000000, 0.0030541100000000, -0.0029094200000000 ] - [ 0.0000000000000000, 0.0199822400000000, 0.0130308500000000 ] - [ 0.0000000000000000, 0.0068838900000000, 0.0003404800000000 ] - [ 0.0000000000000000, 0.0200705100000000, 0.0138523600000000 ] - [ 0.0000000000000000, 0.0066685600000000, -0.0001789900000000 ] - [ -0.0031455400000000, -0.0085620200000000, 0.0023316800000000 ] - [ -0.0007127900000000, 0.0019423100000000, 0.0000640200000000 ] - [ 0.0029659500000000, -0.0085754600000000, 0.0024148700000000 ] - [ 0.0009428600000000, 0.0019057500000000, 0.0000571400000000 ] - [ -0.0029659500000000, -0.0085754600000000, 0.0024148700000000 ] - [ -0.0009428600000000, 0.0019057500000000, 0.0000571400000000 ] - [ 0.0031455400000000, -0.0085620200000000, 0.0023316800000000 ] - [ 0.0007127900000000, 0.0019423100000000, 0.0000640200000000 ] - [ 0.0000000000000000, -0.0002549200000000, 0.0006066600000000 ] - [ 0.0000000000000000, -0.0002497000000000, -0.0002965800000000 ] - [ 0.0000000000000000, 0.0003781300000000, 0.0001243900000000 ] - [ 0.0000000000000000, 0.0000647200000000, 0.0004216400000000 ] - [ 0.0000000000000000, -0.0001426700000000, 0.0003586100000000 ] - [ 0.0000000000000000, -0.0004624200000000, 0.0001884400000000 ] - [ -0.0003214300000000, -0.0000032100000000, 0.0001985700000000 ] - [ -0.0000107500000000, -0.0000027400000000, 0.0003510300000000 ] - [ 0.0000107500000000, -0.0000027400000000, 0.0003510300000000 ] - [ 0.0003214300000000, -0.0000032100000000, 0.0001985700000000 ] - [ -0.0001683100000000, -0.0001459100000000, 0.0003462600000000 ] - [ -0.0000061000000000, -0.0001375500000000, -0.0000137800000000 ] - [ 0.0000061000000000, -0.0001375500000000, -0.0000137800000000 ] - [ 0.0001683100000000, -0.0001459100000000, 0.0003462600000000 ] - [ 0.0000000000000000, -0.0000490200000000, 0.0004062900000000 ] - [ 0.0000000000000000, 0.0000699300000000, 0.0004553500000000 ] - [ 0.0000000000000000, -0.0000834400000000, 0.0002476200000000 ] - [ 0.0000000000000000, 0.0000356400000000, 0.0006058200000000 ] - [ 0.0000000000000000, 0.0001088200000000, 0.0004493400000000 ] - [ 0.0000000000000000, -0.0001227300000000, 0.0005416000000000 ] - [ 0.0000000000000000, 0.0000342200000000, -0.0000442500000000 ] - [ 0.0000000000000000, 0.0002045000000000, 0.0004971200000000 ] - [ 0.0000000000000000, -0.0001625000000000, 0.0004716900000000 ] - [ 0.0000000000000000, 0.0000062900000000, -0.0000199400000000 ] - [ -0.0002133000000000, -0.0000156300000000, 0.0002048300000000 ] - [ -0.0000164300000000, 0.0000740400000000, 0.0002821100000000 ] - [ -0.0000128200000000, -0.0000565300000000, 0.0002182600000000 ] - [ 0.0002429400000000, 0.0000335000000000, 0.0002707100000000 ] - [ 0.0000128200000000, -0.0000565300000000, 0.0002182600000000 ] - [ -0.0002429400000000, 0.0000335000000000, 0.0002707100000000 ] - [ 0.0002133000000000, -0.0000156300000000, 0.0002048300000000 ] - [ 0.0000164300000000, 0.0000740400000000, 0.0002821100000000 ]- atom: 51 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0068053400000000, -0.0078654200000000 ] - [ 0.0000000000000000, 0.0036226500000000, -0.0001638200000000 ] - [ 0.0000000000000000, 0.0067775100000000, -0.0075748600000000 ] - [ 0.0000000000000000, 0.0036232300000000, -0.0004347900000000 ] - [ 0.0000000000000000, 0.0655307500000000, 0.2246578400000000 ] - [ 0.0000000000000000, -0.0042724700000000, 0.0059333600000000 ] - [ 0.0000000000000000, 0.0601032900000000, 0.2115122800000000 ] - [ 0.0000000000000000, -0.0038922800000000, 0.0055498900000000 ] - [ 0.0000000000000000, 0.0283981000000000, -0.0053333100000000 ] - [ 0.0000000000000000, -0.0002424400000000, 0.0034653900000000 ] - [ 0.0000000000000000, 0.0283862800000000, -0.0044444900000000 ] - [ 0.0000000000000000, -0.0001370400000000, 0.0025620000000000 ] - [ 0.0000000000000000, -0.0172586100000000, 0.0208665700000000 ] - [ 0.0000000000000000, -0.0172125400000000, 0.0221693900000000 ] - [ 0.0000000000000000, 0.0091134200000000, 0.0169074100000000 ] - [ 0.0000000000000000, 0.0091185500000000, 0.0160079500000000 ] - [ 0.0000000000000000, 0.0019792700000000, -0.0025811900000000 ] - [ 0.0000000000000000, 0.0009789800000000, -0.0055622200000000 ] - [ 0.0000000000000000, 0.0019728400000000, -0.0022951400000000 ] - [ 0.0000000000000000, 0.0009640300000000, -0.0058384300000000 ] - [ 0.0000000000000000, 0.0002710000000000, -0.0031809600000000 ] - [ 0.0000000000000000, -0.0008537500000000, -0.0035465000000000 ] - [ 0.0000000000000000, 0.0006415600000000, -0.0027891100000000 ] - [ 0.0000000000000000, -0.0004819400000000, -0.0039372700000000 ] - [ 0.0000000000000000, 0.0004964000000000, -0.0038152300000000 ] - [ 0.0000000000000000, -0.0004463200000000, -0.0042534800000000 ] - [ 0.0000000000000000, 0.0006034100000000, -0.0028936300000000 ] - [ 0.0000000000000000, -0.0003401500000000, -0.0051710100000000 ] - [ 0.0000000000000000, -0.0001808600000000, -0.0035621600000000 ] - [ 0.0000000000000000, -0.0001800400000000, -0.0022875000000000 ] - [ 0.0000000000000000, 0.0003501600000000, -0.0027790200000000 ] - [ 0.0000000000000000, 0.0003514800000000, -0.0036332700000000 ] - [ 0.0000000000000000, -0.0042485700000000, 0.0013096800000000 ] - [ 0.0000000000000000, -0.0042356400000000, 0.0004089500000000 ] - [ 0.0000000000000000, -0.0147560600000000, -0.0081053700000000 ] - [ 0.0000000000000000, -0.0000466500000000, -0.0031347200000000 ] - [ 0.0000000000000000, -0.0152350900000000, -0.0078322100000000 ] - [ 0.0000000000000000, -0.0005704800000000, -0.0033791600000000 ] - [ 0.0054551100000000, 0.0005953200000000, -0.0093939300000000 ] - [ 0.0057603700000000, 0.0005821900000000, -0.0092386100000000 ] - [ -0.0057603700000000, 0.0005821900000000, -0.0092386100000000 ] - [ -0.0054551100000000, 0.0005953200000000, -0.0093939300000000 ] - [ -0.0005337300000000, -0.0006413700000000, 0.0007763500000000 ] - [ 0.0017440400000000, -0.0012491900000000, 0.0031935100000000 ] - [ -0.0017440400000000, -0.0012491900000000, 0.0031935100000000 ] - [ 0.0005337300000000, -0.0006413700000000, 0.0007763500000000 ] - [ 0.0000000000000000, -0.0076097500000000, 0.0097461300000000 ] - [ 0.0000000000000000, -0.0008261700000000, -0.0017848700000000 ] - [ 0.0000000000000000, -0.0076187100000000, 0.0095564800000000 ] - [ 0.0000000000000000, -0.0008654900000000, -0.0016490300000000 ] - [ 0.0000000000000000, -0.1788440800000000, -0.5460289600000000 ] - [ 0.0000000000000000, 0.0029095800000000, -0.0062104400000000 ] - [ 0.0000000000000000, 0.0297676700000000, -0.0002764200000000 ] - [ 0.0000000000000000, 0.0054418100000000, -0.0025060400000000 ] - [ 0.0000000000000000, 0.0296996900000000, 0.0001973300000000 ] - [ 0.0000000000000000, 0.0052503400000000, -0.0030184000000000 ] - [ -0.0201653500000000, -0.0038572000000000, 0.0235943500000000 ] - [ 0.0006116600000000, 0.0004428500000000, -0.0014438200000000 ] - [ 0.0196628900000000, -0.0039147600000000, 0.0232680400000000 ] - [ -0.0003878000000000, 0.0004002200000000, -0.0014602800000000 ] - [ -0.0196628900000000, -0.0039147600000000, 0.0232680400000000 ] - [ 0.0003878000000000, 0.0004002200000000, -0.0014602800000000 ] - [ 0.0201653500000000, -0.0038572000000000, 0.0235943500000000 ] - [ -0.0006116600000000, 0.0004428500000000, -0.0014438200000000 ] - [ 0.0000000000000000, -0.0016795900000000, 0.0018197900000000 ] - [ 0.0000000000000000, -0.0016847200000000, 0.0009174300000000 ] - [ 0.0000000000000000, 0.0007653100000000, 0.0013253200000000 ] - [ 0.0000000000000000, -0.0007658100000000, 0.0019695400000000 ] - [ 0.0000000000000000, 0.0002426700000000, 0.0015585700000000 ] - [ 0.0000000000000000, -0.0012908800000000, 0.0017347800000000 ] - [ -0.0011024000000000, -0.0000226900000000, 0.0014786600000000 ] - [ -0.0007917500000000, -0.0000229700000000, 0.0016311900000000 ] - [ 0.0007917500000000, -0.0000229700000000, 0.0016311900000000 ] - [ 0.0011024000000000, -0.0000226900000000, 0.0014786600000000 ] - [ -0.0017459500000000, -0.0009653900000000, 0.0032102200000000 ] - [ 0.0005328800000000, -0.0009303600000000, 0.0007614400000000 ] - [ -0.0005328800000000, -0.0009303600000000, 0.0007614400000000 ] - [ 0.0017459500000000, -0.0009653900000000, 0.0032102200000000 ] - [ 0.0000000000000000, -0.0009826800000000, 0.0026458800000000 ] - [ 0.0000000000000000, 0.0009653900000000, 0.0038499400000000 ] - [ 0.0000000000000000, -0.0010178100000000, 0.0024845300000000 ] - [ 0.0000000000000000, 0.0009306900000000, 0.0039956000000000 ] - [ 0.0000000000000000, 0.0004494400000000, 0.0024323100000000 ] - [ 0.0000000000000000, -0.0005413700000000, 0.0030173500000000 ] - [ 0.0000000000000000, -0.0004783200000000, 0.0008546500000000 ] - [ 0.0000000000000000, 0.0009319400000000, 0.0015252800000000 ] - [ 0.0000000000000000, -0.0006763700000000, 0.0013708900000000 ] - [ 0.0000000000000000, 0.0007352100000000, 0.0010086200000000 ] - [ -0.0008129700000000, -0.0004437500000000, 0.0012554900000000 ] - [ -0.0007779600000000, 0.0006000200000000, 0.0016826500000000 ] - [ 0.0005865300000000, -0.0004845500000000, 0.0012682600000000 ] - [ 0.0010040300000000, 0.0005590100000000, 0.0016701500000000 ] - [ -0.0005865300000000, -0.0004845500000000, 0.0012682600000000 ] - [ -0.0010040300000000, 0.0005590100000000, 0.0016701500000000 ] - [ 0.0008129700000000, -0.0004437500000000, 0.0012554900000000 ] - [ 0.0007779600000000, 0.0006000200000000, 0.0016826500000000 ]- atom: 53 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0000070900000000, 0.0000047000000000, -0.0001394800000000 ] - [ -0.0000060700000000, 0.0000040100000000, 0.0001393400000000 ] - [ 0.0000811900000000, -0.0000075500000000, 0.0001418800000000 ] - [ -0.0000054800000000, -0.0000048800000000, -0.0001392900000000 ] - [ -0.0004049900000000, -0.0001855100000000, -0.0001757800000000 ] - [ -0.0004096200000000, -0.0001980500000000, 0.0001916000000000 ] - [ 0.0259356500000000, -0.0004715900000000, 0.0001484100000000 ] - [ 0.0000704500000000, 0.0001863900000000, -0.0001946100000000 ] - [ -0.0000469600000000, -0.0000575000000000, -0.0004603100000000 ] - [ 0.0000643400000000, -0.0000535500000000, 0.0004565300000000 ] - [ -0.0140981600000000, 0.0000464500000000, 0.0004550400000000 ] - [ 0.0000944300000000, 0.0000527700000000, -0.0004586900000000 ] - [ 0.0244837200000000, 0.0005083200000000, -0.0010174300000000 ] - [ 0.0000122300000000, 0.0000041200000000, 0.0006334800000000 ] - [ -0.0154009300000000, 0.0000082500000000, 0.0004298300000000 ] - [ 0.0000953400000000, -0.0000015500000000, -0.0004309600000000 ] - [ 0.0000019700000000, 0.0000048300000000, -0.0001407400000000 ] - [ 0.0000013000000000, 0.0000053700000000, 0.0001421000000000 ] - [ 0.0000010400000000, -0.0000053700000000, 0.0001423200000000 ] - [ -0.0000180100000000, -0.0000059100000000, -0.0001390700000000 ] - [ -0.0000006500000000, -0.0001855200000000, -0.0001947000000000 ] - [ 0.0000001800000000, -0.0001853700000000, 0.0001969700000000 ] - [ -0.0000002200000000, 0.0001854800000000, 0.0001970200000000 ] - [ -0.0000007900000000, 0.0001857400000000, -0.0001943700000000 ] - [ 0.0000002000000000, -0.0000532300000000, -0.0004590600000000 ] - [ -0.0000001500000000, -0.0000531100000000, 0.0004612900000000 ] - [ -0.0000004300000000, 0.0000532900000000, 0.0004615300000000 ] - [ 0.0000002900000000, 0.0000533500000000, -0.0004582800000000 ] - [ 0.0000003800000000, 0.0000000700000000, -0.0006363400000000 ] - [ -0.0000006200000000, 0.0000001000000000, 0.0006384700000000 ] - [ -0.0000000600000000, -0.0000001100000000, 0.0004281500000000 ] - [ 0.0000001800000000, 0.0000000400000000, -0.0004259700000000 ] - [ 0.0000062700000000, 0.0000000800000000, 0.0004512900000000 ] - [ -0.0000027300000000, 0.0000015400000000, -0.0004511000000000 ] - [ 0.0015105400000000, 0.0002618000000000, -0.0001157100000000 ] - [ -0.0000425500000000, 0.0002633800000000, 0.0001184400000000 ] - [ 0.0020760500000000, -0.0002569500000000, 0.0001202000000000 ] - [ 0.0025817300000000, -0.0002639800000000, -0.0001163600000000 ] - [ 0.0088298600000000, 0.0106177200000000, -0.0162190300000000 ] - [ 0.0001855000000000, -0.0000017100000000, 0.0000291800000000 ] - [ -0.0001219800000000, 0.0000014800000000, 0.0001277400000000 ] - [ 0.0091425000000000, -0.0107097700000000, 0.0161970100000000 ] - [ -0.0000005200000000, 0.0001443400000000, 0.0000075300000000 ] - [ 0.0000416500000000, -0.0001549800000000, 0.0000526700000000 ] - [ 0.0000417200000000, -0.0001308300000000, -0.0000656500000000 ] - [ -0.0000008300000000, 0.0001429900000000, 0.0000053000000000 ] - [ -0.0000247900000000, 0.0000185800000000, 0.0000791700000000 ] - [ -0.0000095300000000, 0.0000180900000000, -0.0000718000000000 ] - [ 0.0016124800000000, -0.0000160200000000, -0.0000813900000000 ] - [ -0.0000449300000000, -0.0000178400000000, 0.0000735900000000 ] - [ -0.0055212300000000, -0.0000217600000000, -0.0000146400000000 ] - [ -0.0000213300000000, 0.0000016700000000, -0.0000006000000000 ] - [ -0.0531457300000000, 0.0002086300000000, 0.0000908100000000 ] - [ -0.0000012800000000, 0.0000979700000000, 0.0002593000000000 ] - [ 0.0001349900000000, -0.0001039800000000, 0.0002564100000000 ] - [ -0.0037356900000000, -0.0000876800000000, -0.0002625700000000 ] - [ -0.0001546600000000, -0.0000497500000000, 0.0000495600000000 ] - [ -0.0000080100000000, 0.0001692800000000, 0.0000983100000000 ] - [ 0.0080437500000000, -0.0170629400000000, 0.0067170900000000 ] - [ 0.0001515000000000, 0.0000198400000000, 0.0000344300000000 ] - [ 0.0082789400000000, 0.0171662900000000, -0.0067612700000000 ] - [ -0.0000743800000000, -0.0000611300000000, -0.0000463500000000 ] - [ 0.0000659700000000, 0.0000939300000000, -0.0000662200000000 ] - [ -0.0002305300000000, -0.0001253200000000, -0.0000819100000000 ] - [ 0.0000044500000000, 0.0000006600000000, 0.0004513400000000 ] - [ -0.0000007800000000, 0.0000001500000000, -0.0004517400000000 ] - [ 0.0000003600000000, 0.0002608000000000, -0.0001171200000000 ] - [ -0.0000025300000000, 0.0002631400000000, 0.0001166500000000 ] - [ -0.0000008500000000, -0.0002611000000000, 0.0001165800000000 ] - [ 0.0000003100000000, -0.0002626700000000, -0.0001174600000000 ] - [ -0.0001553100000000, -0.0000000300000000, -0.0000763700000000 ] - [ 0.0001553500000000, 0.0000001600000000, 0.0000758300000000 ] - [ -0.0001556800000000, 0.0000001700000000, 0.0000760400000000 ] - [ 0.0001546200000000, 0.0000000000000000, -0.0000766100000000 ] - [ -0.0000001900000000, 0.0001429200000000, 0.0000070800000000 ] - [ -0.0000012500000000, -0.0001447600000000, -0.0000081200000000 ] - [ -0.0000011600000000, -0.0001422500000000, -0.0000047200000000 ] - [ -0.0000013900000000, 0.0001444000000000, 0.0000039800000000 ] - [ -0.0000007300000000, 0.0000178300000000, 0.0000797500000000 ] - [ -0.0000005000000000, 0.0000171900000000, -0.0000750500000000 ] - [ -0.0000005400000000, -0.0000172900000000, -0.0000810300000000 ] - [ 0.0000033600000000, -0.0000175900000000, 0.0000732200000000 ] - [ -0.0000002600000000, -0.0000001000000000, -0.0000006300000000 ] - [ -0.0000001900000000, 0.0000002400000000, -0.0000007000000000 ] - [ -0.0000005200000000, 0.0000989400000000, -0.0002586900000000 ] - [ 0.0000000300000000, 0.0000986100000000, 0.0002582600000000 ] - [ 0.0000003800000000, -0.0000983700000000, 0.0002579100000000 ] - [ -0.0000005500000000, -0.0000988000000000, -0.0002588800000000 ] - [ -0.0001131800000000, 0.0000206300000000, -0.0000067500000000 ] - [ 0.0001131100000000, 0.0000203100000000, 0.0000057400000000 ] - [ -0.0001136500000000, -0.0000202500000000, 0.0000062000000000 ] - [ 0.0001127700000000, -0.0000205900000000, -0.0000057600000000 ] - [ 0.0001131200000000, -0.0000202800000000, 0.0000061900000000 ] - [ -0.0001130200000000, -0.0000205800000000, -0.0000065500000000 ] - [ 0.0001126600000000, 0.0000207400000000, -0.0000065700000000 ] - [ -0.0001136400000000, 0.0000203300000000, 0.0000056200000000 ]- atom: 53 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0000000000000000, 0.0025551100000000, 0.0001795300000000 ] - [ 0.0000000000000000, -0.0061613900000000, -0.0019438000000000 ] - [ 0.0000000000000000, -0.0067869500000000, 0.0071337200000000 ] - [ 0.0000000000000000, 0.0013963100000000, 0.0030169600000000 ] - [ 0.0000000000000000, -0.0025877400000000, -0.0224212500000000 ] - [ 0.0000000000000000, -0.0223467900000000, -0.0018826900000000 ] - [ 0.0000000000000000, 0.2686719200000000, 0.0013309200000000 ] - [ 0.0000000000000000, -0.0084245700000000, 0.0033205500000000 ] - [ 0.0000000000000000, 0.0131138100000000, -0.0015754400000000 ] - [ 0.0000000000000000, -0.0118255500000000, -0.0035737800000000 ] - [ 0.0000000000000000, -0.0154385000000000, 0.0107872000000000 ] - [ 0.0000000000000000, -0.0060369100000000, 0.0042960900000000 ] - [ 0.0000000000000000, 0.1874531200000000, -0.1084787800000000 ] - [ 0.0000000000000000, -0.0092421900000000, -0.0025738600000000 ] - [ 0.0000000000000000, 0.0084162500000000, 0.0188204600000000 ] - [ 0.0000000000000000, -0.0140730500000000, -0.0038907800000000 ] - [ 0.0000000000000000, -0.0023156900000000, -0.0004057300000000 ] - [ 0.0000000000000000, 0.0009277800000000, 0.0009540400000000 ] - [ 0.0000000000000000, 0.0002397100000000, 0.0021441800000000 ] - [ 0.0000000000000000, -0.0014224900000000, 0.0036089100000000 ] - [ 0.0000000000000000, -0.0002881100000000, 0.0003828500000000 ] - [ 0.0000000000000000, -0.0000597800000000, 0.0011131100000000 ] - [ 0.0000000000000000, -0.0002068000000000, 0.0010425500000000 ] - [ 0.0000000000000000, 0.0007419600000000, 0.0009753900000000 ] - [ 0.0000000000000000, -0.0005846600000000, 0.0000511900000000 ] - [ 0.0000000000000000, 0.0003011200000000, 0.0014171300000000 ] - [ 0.0000000000000000, -0.0001140600000000, 0.0018303100000000 ] - [ 0.0000000000000000, 0.0002608400000000, 0.0016468400000000 ] - [ 0.0000000000000000, -0.0002089200000000, 0.0001608400000000 ] - [ 0.0000000000000000, 0.0003686600000000, 0.0013471900000000 ] - [ 0.0000000000000000, -0.0005383100000000, 0.0013515300000000 ] - [ 0.0000000000000000, 0.0002340700000000, 0.0004086800000000 ] - [ 0.0000000000000000, -0.0016142100000000, -0.0004749300000000 ] - [ 0.0000000000000000, 0.0051716500000000, -0.0011953000000000 ] - [ 0.0000000000000000, -0.0111899700000000, -0.0068996000000000 ] - [ 0.0000000000000000, 0.0093695100000000, -0.0020463400000000 ] - [ 0.0000000000000000, 0.0135574600000000, 0.0042654000000000 ] - [ 0.0000000000000000, 0.0054822700000000, -0.0072141200000000 ] - [ 0.0154776400000000, 0.0036804400000000, -0.0214058000000000 ] - [ -0.0008742000000000, 0.0035353100000000, 0.0018611700000000 ] - [ 0.0008742000000000, 0.0035353100000000, 0.0018611700000000 ] - [ -0.0154776400000000, 0.0036804400000000, -0.0214058000000000 ] - [ -0.0001286500000000, 0.0014345000000000, 0.0004782800000000 ] - [ -0.0013258700000000, 0.0009383400000000, -0.0024939900000000 ] - [ 0.0013258700000000, 0.0009383400000000, -0.0024939900000000 ] - [ 0.0001286500000000, 0.0014345000000000, 0.0004782800000000 ] - [ 0.0000000000000000, -0.0024494600000000, 0.0010073200000000 ] - [ 0.0000000000000000, 0.0036789600000000, 0.0038964200000000 ] - [ 0.0000000000000000, 0.0052832700000000, -0.0096288000000000 ] - [ 0.0000000000000000, -0.0001249200000000, -0.0031893700000000 ] - [ 0.0000000000000000, 0.0201117200000000, 0.0298548100000000 ] - [ 0.0000000000000000, 0.0067680200000000, -0.0053243400000000 ] - [ 0.0000000000000000, -0.5619217500000000, 0.1400608300000000 ] - [ 0.0000000000000000, 0.0073696300000000, 0.0015872500000000 ] - [ 0.0000000000000000, 0.0052349100000000, 0.0031567700000000 ] - [ 0.0000000000000000, 0.0394443200000000, -0.0016923500000000 ] - [ -0.0042825800000000, -0.0035060500000000, 0.0047915500000000 ] - [ -0.0044578600000000, 0.0068793100000000, 0.0032475400000000 ] - [ -0.0199743500000000, 0.0244110500000000, -0.0102228100000000 ] - [ 0.0008043200000000, 0.0024342200000000, -0.0007387400000000 ] - [ 0.0199743500000000, 0.0244110500000000, -0.0102228100000000 ] - [ -0.0008043200000000, 0.0024342200000000, -0.0007387400000000 ] - [ 0.0042825800000000, -0.0035060500000000, 0.0047915500000000 ] - [ 0.0044578600000000, 0.0068793100000000, 0.0032475400000000 ] - [ 0.0000000000000000, 0.0021133700000000, -0.0001165200000000 ] - [ 0.0000000000000000, -0.0006564600000000, -0.0009111100000000 ] - [ 0.0000000000000000, 0.0004763800000000, -0.0003493500000000 ] - [ 0.0000000000000000, 0.0002760100000000, -0.0002452300000000 ] - [ 0.0000000000000000, -0.0005798200000000, -0.0004162100000000 ] - [ 0.0000000000000000, 0.0002868000000000, -0.0008791000000000 ] - [ 0.0001134300000000, 0.0001124900000000, -0.0005136900000000 ] - [ 0.0003995400000000, -0.0000913400000000, -0.0003206100000000 ] - [ -0.0003995400000000, -0.0000913400000000, -0.0003206100000000 ] - [ -0.0001134300000000, 0.0001124900000000, -0.0005136900000000 ] - [ 0.0002052500000000, -0.0003854100000000, -0.0002391700000000 ] - [ -0.0006456400000000, -0.0003381300000000, -0.0011466500000000 ] - [ 0.0006456400000000, -0.0003381300000000, -0.0011466500000000 ] - [ -0.0002052500000000, -0.0003854100000000, -0.0002391700000000 ] - [ 0.0000000000000000, 0.0005963000000000, -0.0003262800000000 ] - [ 0.0000000000000000, -0.0003955900000000, -0.0008642800000000 ] - [ 0.0000000000000000, 0.0003351400000000, -0.0013167800000000 ] - [ 0.0000000000000000, -0.0004779600000000, -0.0019521500000000 ] - [ 0.0000000000000000, -0.0000641500000000, -0.0005796900000000 ] - [ 0.0000000000000000, 0.0001058600000000, -0.0008356800000000 ] - [ 0.0000000000000000, 0.0004812700000000, -0.0005940100000000 ] - [ 0.0000000000000000, -0.0004186500000000, -0.0001105800000000 ] - [ 0.0000000000000000, -0.0000779000000000, 0.0000761100000000 ] - [ 0.0000000000000000, -0.0002059900000000, -0.0005423200000000 ] - [ 0.0000650200000000, 0.0002028000000000, -0.0002255000000000 ] - [ 0.0003453000000000, -0.0001617100000000, -0.0003701400000000 ] - [ -0.0003653600000000, 0.0001890900000000, -0.0004357600000000 ] - [ -0.0002514700000000, -0.0003270000000000, -0.0006529400000000 ] - [ 0.0003653600000000, 0.0001890900000000, -0.0004357600000000 ] - [ 0.0002514700000000, -0.0003270000000000, -0.0006529400000000 ] - [ -0.0000650200000000, 0.0002028000000000, -0.0002255000000000 ] - [ -0.0003453000000000, -0.0001617100000000, -0.0003701400000000 ]- atom: 53 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0000000000000000, -0.0025376500000000, -0.0004521200000000 ] - [ 0.0000000000000000, 0.0061627500000000, 0.0022327100000000 ] - [ 0.0000000000000000, 0.0067624800000000, -0.0068243200000000 ] - [ 0.0000000000000000, -0.0014073300000000, -0.0032847800000000 ] - [ 0.0000000000000000, 0.0022353400000000, 0.0219828300000000 ] - [ 0.0000000000000000, 0.0219934500000000, 0.0022509300000000 ] - [ 0.0000000000000000, -0.2507839100000000, -0.0005977800000000 ] - [ 0.0000000000000000, 0.0087712100000000, -0.0037452600000000 ] - [ 0.0000000000000000, -0.0131611400000000, 0.0006676100000000 ] - [ 0.0000000000000000, 0.0117109500000000, 0.0044964400000000 ] - [ 0.0000000000000000, 0.0155152600000000, -0.0098360500000000 ] - [ 0.0000000000000000, 0.0060856300000000, -0.0052008600000000 ] - [ 0.0000000000000000, -0.1969229100000000, 0.1150079100000000 ] - [ 0.0000000000000000, 0.0092335500000000, 0.0038209700000000 ] - [ 0.0000000000000000, -0.0083850000000000, -0.0178375900000000 ] - [ 0.0000000000000000, 0.0140449400000000, 0.0030095600000000 ] - [ 0.0000000000000000, 0.0023211500000000, 0.0001330700000000 ] - [ 0.0000000000000000, -0.0009133200000000, -0.0006646000000000 ] - [ 0.0000000000000000, -0.0002518900000000, -0.0018523500000000 ] - [ 0.0000000000000000, 0.0014127300000000, -0.0038736400000000 ] - [ 0.0000000000000000, -0.0000848800000000, -0.0007685100000000 ] - [ 0.0000000000000000, -0.0003092700000000, -0.0007163500000000 ] - [ 0.0000000000000000, 0.0005762700000000, -0.0006456000000000 ] - [ 0.0000000000000000, -0.0003676800000000, -0.0013604300000000 ] - [ 0.0000000000000000, 0.0004758800000000, -0.0009630700000000 ] - [ 0.0000000000000000, -0.0004051600000000, -0.0004903300000000 ] - [ 0.0000000000000000, 0.0002190700000000, -0.0009022700000000 ] - [ 0.0000000000000000, -0.0001511700000000, -0.0025560100000000 ] - [ 0.0000000000000000, 0.0002091300000000, -0.0014305400000000 ] - [ 0.0000000000000000, -0.0003681300000000, -0.0000677400000000 ] - [ 0.0000000000000000, 0.0005380100000000, -0.0004912200000000 ] - [ 0.0000000000000000, -0.0002334900000000, -0.0012576400000000 ] - [ 0.0000000000000000, 0.0016120300000000, 0.0013717000000000 ] - [ 0.0000000000000000, -0.0051610900000000, 0.0002872700000000 ] - [ 0.0000000000000000, 0.0116738400000000, 0.0066349700000000 ] - [ 0.0000000000000000, -0.0088346300000000, 0.0022813300000000 ] - [ 0.0000000000000000, -0.0140236200000000, -0.0040134500000000 ] - [ 0.0000000000000000, -0.0059618500000000, 0.0069316900000000 ] - [ -0.0157446400000000, -0.0035485500000000, 0.0212727400000000 ] - [ 0.0011753800000000, -0.0035289000000000, -0.0016940100000000 ] - [ -0.0011753800000000, -0.0035289000000000, -0.0016940100000000 ] - [ 0.0157446400000000, -0.0035485500000000, 0.0212727400000000 ] - [ 0.0001322000000000, -0.0011446500000000, -0.0004709200000000 ] - [ 0.0013199000000000, -0.0012239200000000, 0.0024706200000000 ] - [ -0.0013199000000000, -0.0012239200000000, 0.0024706200000000 ] - [ -0.0001322000000000, -0.0011446500000000, -0.0004709200000000 ] - [ 0.0000000000000000, 0.0024764000000000, -0.0008512800000000 ] - [ 0.0000000000000000, -0.0036408400000000, -0.0040491200000000 ] - [ 0.0000000000000000, -0.0053026300000000, 0.0094225700000000 ] - [ 0.0000000000000000, 0.0000958300000000, 0.0033268000000000 ] - [ 0.0000000000000000, -0.0199402100000000, -0.0296148400000000 ] - [ 0.0000000000000000, -0.0067845600000000, 0.0053676100000000 ] - [ 0.0000000000000000, 0.5534928500000000, -0.1488912800000000 ] - [ 0.0000000000000000, -0.0071576000000000, -0.0010556000000000 ] - [ 0.0000000000000000, -0.0054291400000000, -0.0026249900000000 ] - [ 0.0000000000000000, -0.0401824300000000, 0.0012558100000000 ] - [ 0.0040385100000000, 0.0035283800000000, -0.0047873000000000 ] - [ 0.0046945600000000, -0.0068492000000000, -0.0032414200000000 ] - [ 0.0194848600000000, -0.0241427400000000, 0.0101093300000000 ] - [ -0.0005656200000000, -0.0024571300000000, 0.0007354400000000 ] - [ -0.0194848600000000, -0.0241427400000000, 0.0101093300000000 ] - [ 0.0005656200000000, -0.0024571300000000, 0.0007354400000000 ] - [ -0.0040385100000000, 0.0035283800000000, -0.0047873000000000 ] - [ -0.0046945600000000, -0.0068492000000000, -0.0032414200000000 ] - [ 0.0000000000000000, -0.0021092400000000, 0.0010151800000000 ] - [ 0.0000000000000000, 0.0006560700000000, 0.0000049900000000 ] - [ 0.0000000000000000, 0.0000449900000000, 0.0001125500000000 ] - [ 0.0000000000000000, 0.0002516000000000, 0.0004765000000000 ] - [ 0.0000000000000000, 0.0000572400000000, 0.0006469200000000 ] - [ 0.0000000000000000, -0.0008109900000000, 0.0006412100000000 ] - [ -0.0004220300000000, -0.0001121900000000, 0.0003585200000000 ] - [ -0.0000876000000000, 0.0000918400000000, 0.0004702700000000 ] - [ 0.0000876000000000, 0.0000918400000000, 0.0004702700000000 ] - [ 0.0004220300000000, -0.0001121900000000, 0.0003585200000000 ] - [ -0.0002023700000000, 0.0006710700000000, 0.0002473200000000 ] - [ 0.0006431100000000, 0.0000522100000000, 0.0011293700000000 ] - [ -0.0006431100000000, 0.0000522100000000, 0.0011293700000000 ] - [ 0.0002023700000000, 0.0006710700000000, 0.0002473200000000 ] - [ 0.0000000000000000, -0.0005571300000000, 0.0004784100000000 ] - [ 0.0000000000000000, 0.0004278600000000, 0.0007100200000000 ] - [ 0.0000000000000000, -0.0003671400000000, 0.0011497100000000 ] - [ 0.0000000000000000, 0.0004394200000000, 0.0020894600000000 ] - [ 0.0000000000000000, 0.0000640600000000, 0.0005750700000000 ] - [ 0.0000000000000000, -0.0001050100000000, 0.0008309000000000 ] - [ 0.0000000000000000, -0.0002819600000000, 0.0000752400000000 ] - [ 0.0000000000000000, 0.0006141200000000, 0.0006254000000000 ] - [ 0.0000000000000000, -0.0001170200000000, 0.0004374600000000 ] - [ 0.0000000000000000, 0.0000078000000000, 0.0000229200000000 ] - [ -0.0002895300000000, -0.0001598000000000, 0.0002095500000000 ] - [ -0.0001173300000000, 0.0002012800000000, 0.0003796600000000 ] - [ 0.0001373000000000, -0.0002281600000000, 0.0004460200000000 ] - [ 0.0004757600000000, 0.0002845200000000, 0.0006377600000000 ] - [ -0.0001373000000000, -0.0002281600000000, 0.0004460200000000 ] - [ -0.0004757600000000, 0.0002845200000000, 0.0006377600000000 ] - [ 0.0002895300000000, -0.0001598000000000, 0.0002095500000000 ] - [ 0.0001173300000000, 0.0002012800000000, 0.0003796600000000 ]- atom: 53 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0000000000000000, -0.0000475800000000, -0.0023336100000000 ] - [ 0.0000000000000000, 0.0016417500000000, 0.0007069700000000 ] - [ 0.0000000000000000, 0.0028927000000000, -0.0021507200000000 ] - [ 0.0000000000000000, 0.0001136600000000, -0.0023064100000000 ] - [ 0.0000000000000000, -0.0031040600000000, -0.0018899400000000 ] - [ 0.0000000000000000, 0.0012522200000000, 0.0043479300000000 ] - [ 0.0000000000000000, 0.0064426600000000, 0.0351151200000000 ] - [ 0.0000000000000000, 0.0025827600000000, 0.0023232300000000 ] - [ 0.0000000000000000, -0.0038760900000000, -0.0026049400000000 ] - [ 0.0000000000000000, 0.0013053400000000, 0.0029322000000000 ] - [ 0.0000000000000000, 0.0076261800000000, -0.0013470700000000 ] - [ 0.0000000000000000, 0.0052936400000000, -0.0025301100000000 ] - [ 0.0000000000000000, -0.1155827500000000, 0.1136960800000000 ] - [ 0.0000000000000000, -0.0008508100000000, 0.0049796500000000 ] - [ 0.0000000000000000, -0.0028851900000000, -0.0096009500000000 ] - [ 0.0000000000000000, 0.0040537400000000, 0.0049594000000000 ] - [ 0.0000000000000000, 0.0007715000000000, -0.0007911300000000 ] - [ 0.0000000000000000, -0.0003415500000000, -0.0018789300000000 ] - [ 0.0000000000000000, 0.0003565500000000, -0.0018325100000000 ] - [ 0.0000000000000000, 0.0007053900000000, -0.0022540200000000 ] - [ 0.0000000000000000, -0.0001075600000000, -0.0015302900000000 ] - [ 0.0000000000000000, -0.0004233500000000, -0.0013255000000000 ] - [ 0.0000000000000000, 0.0004799100000000, -0.0012068600000000 ] - [ 0.0000000000000000, -0.0000544300000000, -0.0018154000000000 ] - [ 0.0000000000000000, 0.0000903100000000, -0.0017518400000000 ] - [ 0.0000000000000000, -0.0003269400000000, -0.0013909500000000 ] - [ 0.0000000000000000, 0.0002899400000000, -0.0013456800000000 ] - [ 0.0000000000000000, 0.0000475500000000, -0.0023914500000000 ] - [ 0.0000000000000000, 0.0000418000000000, -0.0018483000000000 ] - [ 0.0000000000000000, -0.0001406300000000, -0.0007130700000000 ] - [ 0.0000000000000000, 0.0002078500000000, -0.0008949600000000 ] - [ 0.0000000000000000, -0.0000276900000000, -0.0018906000000000 ] - [ 0.0000000000000000, -0.0000277400000000, 0.0013436200000000 ] - [ 0.0000000000000000, -0.0017903300000000, -0.0003273700000000 ] - [ 0.0000000000000000, 0.0038986100000000, 0.0030114600000000 ] - [ 0.0000000000000000, -0.0009128900000000, -0.0008011500000000 ] - [ 0.0000000000000000, -0.0070519100000000, -0.0031254500000000 ] - [ 0.0000000000000000, -0.0053195000000000, 0.0048715700000000 ] - [ -0.0127349700000000, -0.0124635400000000, 0.0099015800000000 ] - [ 0.0017418300000000, -0.0004371000000000, -0.0024065700000000 ] - [ -0.0017418300000000, -0.0004371000000000, -0.0024065700000000 ] - [ 0.0127349700000000, -0.0124635400000000, 0.0099015800000000 ] - [ -0.0000698800000000, -0.0001594500000000, 0.0000689900000000 ] - [ 0.0005283200000000, -0.0007386200000000, 0.0010345800000000 ] - [ -0.0005283200000000, -0.0007386200000000, 0.0010345800000000 ] - [ 0.0000698800000000, -0.0001594500000000, 0.0000689900000000 ] - [ 0.0000000000000000, 0.0001454200000000, 0.0017315900000000 ] - [ 0.0000000000000000, -0.0006410600000000, -0.0015772800000000 ] - [ 0.0000000000000000, -0.0022955600000000, 0.0022674000000000 ] - [ 0.0000000000000000, -0.0003889900000000, 0.0017208300000000 ] - [ 0.0000000000000000, 0.0134950300000000, -0.0000581300000000 ] - [ 0.0000000000000000, -0.0000832800000000, -0.0027647500000000 ] - [ 0.0000000000000000, 0.1475550200000000, -0.1520849300000000 ] - [ 0.0000000000000000, -0.0012317600000000, -0.0009868100000000 ] - [ 0.0000000000000000, 0.0027888600000000, -0.0003213500000000 ] - [ 0.0000000000000000, 0.0013687600000000, -0.0069249800000000 ] - [ 0.0003590100000000, 0.0012879900000000, -0.0001005900000000 ] - [ 0.0010409400000000, -0.0007130500000000, -0.0014740300000000 ] - [ 0.0083524200000000, -0.0136884900000000, -0.0019493700000000 ] - [ -0.0008849700000000, -0.0015736000000000, -0.0005477500000000 ] - [ -0.0083524200000000, -0.0136884900000000, -0.0019493700000000 ] - [ 0.0008849700000000, -0.0015736000000000, -0.0005477500000000 ] - [ -0.0003590100000000, 0.0012879900000000, -0.0001005900000000 ] - [ -0.0010409400000000, -0.0007130500000000, -0.0014740300000000 ] - [ 0.0000000000000000, -0.0007863400000000, 0.0009247300000000 ] - [ 0.0000000000000000, -0.0000087500000000, 0.0002120000000000 ] - [ 0.0000000000000000, 0.0004549900000000, 0.0004505500000000 ] - [ 0.0000000000000000, -0.0000598200000000, 0.0008617500000000 ] - [ 0.0000000000000000, 0.0000927000000000, 0.0008678800000000 ] - [ 0.0000000000000000, -0.0007561900000000, 0.0006604000000000 ] - [ -0.0005485000000000, -0.0000370900000000, 0.0005697100000000 ] - [ -0.0002759800000000, 0.0000263200000000, 0.0007868500000000 ] - [ 0.0002759800000000, 0.0000263200000000, 0.0007868500000000 ] - [ 0.0005485000000000, -0.0000370900000000, 0.0005697100000000 ] - [ -0.0005750800000000, 0.0002194900000000, 0.0009818100000000 ] - [ 0.0005673900000000, -0.0002333800000000, 0.0009451500000000 ] - [ -0.0005673900000000, -0.0002333800000000, 0.0009451500000000 ] - [ 0.0005750800000000, 0.0002194900000000, 0.0009818100000000 ] - [ 0.0000000000000000, -0.0002893800000000, 0.0009757200000000 ] - [ 0.0000000000000000, 0.0005220400000000, 0.0014602800000000 ] - [ 0.0000000000000000, -0.0005107800000000, 0.0014206800000000 ] - [ 0.0000000000000000, 0.0002106100000000, 0.0015767900000000 ] - [ 0.0000000000000000, 0.0002141300000000, 0.0011153800000000 ] - [ 0.0000000000000000, -0.0002388100000000, 0.0012697700000000 ] - [ 0.0000000000000000, -0.0002366100000000, 0.0002378900000000 ] - [ 0.0000000000000000, 0.0004676300000000, 0.0008512500000000 ] - [ 0.0000000000000000, -0.0002794300000000, 0.0007698000000000 ] - [ 0.0000000000000000, 0.0001844700000000, 0.0002413800000000 ] - [ -0.0003885100000000, -0.0001275600000000, 0.0005193400000000 ] - [ -0.0002553500000000, 0.0002716400000000, 0.0006735300000000 ] - [ 0.0002371500000000, -0.0002651600000000, 0.0006415400000000 ] - [ 0.0004660100000000, 0.0001736400000000, 0.0007023000000000 ] - [ -0.0002371500000000, -0.0002651600000000, 0.0006415400000000 ] - [ -0.0004660100000000, 0.0001736400000000, 0.0007023000000000 ] - [ 0.0003885100000000, -0.0001275600000000, 0.0005193400000000 ] - [ 0.0002553500000000, 0.0002716400000000, 0.0006735300000000 ]- atom: 53 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000516200000000, 0.0020487300000000 ] - [ 0.0000000000000000, -0.0016168100000000, -0.0004242500000000 ] - [ 0.0000000000000000, -0.0028855400000000, 0.0024098800000000 ] - [ 0.0000000000000000, -0.0001264000000000, 0.0020157000000000 ] - [ 0.0000000000000000, 0.0027335200000000, 0.0015654900000000 ] - [ 0.0000000000000000, -0.0016176100000000, -0.0039455200000000 ] - [ 0.0000000000000000, -0.0072688300000000, -0.0348130000000000 ] - [ 0.0000000000000000, -0.0021862200000000, -0.0027053300000000 ] - [ 0.0000000000000000, 0.0037246600000000, 0.0016852700000000 ] - [ 0.0000000000000000, -0.0013891100000000, -0.0020054600000000 ] - [ 0.0000000000000000, -0.0074594700000000, 0.0022297900000000 ] - [ 0.0000000000000000, -0.0051560000000000, 0.0015976100000000 ] - [ 0.0000000000000000, 0.1111039500000000, -0.1136699500000000 ] - [ 0.0000000000000000, 0.0008703500000000, -0.0036893200000000 ] - [ 0.0000000000000000, 0.0028472800000000, 0.0103742500000000 ] - [ 0.0000000000000000, -0.0040170400000000, -0.0057938300000000 ] - [ 0.0000000000000000, -0.0007546400000000, 0.0005075300000000 ] - [ 0.0000000000000000, 0.0003494600000000, 0.0021563300000000 ] - [ 0.0000000000000000, -0.0003669200000000, 0.0021081300000000 ] - [ 0.0000000000000000, -0.0007139500000000, 0.0019615800000000 ] - [ 0.0000000000000000, -0.0002625700000000, 0.0011367200000000 ] - [ 0.0000000000000000, 0.0000515400000000, 0.0017138700000000 ] - [ 0.0000000000000000, -0.0001073800000000, 0.0015956700000000 ] - [ 0.0000000000000000, 0.0004236100000000, 0.0014207700000000 ] - [ 0.0000000000000000, -0.0001948100000000, 0.0008289800000000 ] - [ 0.0000000000000000, 0.0002192100000000, 0.0023070000000000 ] - [ 0.0000000000000000, -0.0001824500000000, 0.0022614000000000 ] - [ 0.0000000000000000, 0.0000579100000000, 0.0014656100000000 ] - [ 0.0000000000000000, -0.0000412500000000, 0.0005710800000000 ] - [ 0.0000000000000000, 0.0001397300000000, 0.0019857900000000 ] - [ 0.0000000000000000, -0.0002066200000000, 0.0017460700000000 ] - [ 0.0000000000000000, 0.0000271600000000, 0.0010337500000000 ] - [ 0.0000000000000000, 0.0000311900000000, -0.0004358200000000 ] - [ 0.0000000000000000, 0.0017776100000000, -0.0005709700000000 ] - [ 0.0000000000000000, -0.0033381000000000, -0.0032190400000000 ] - [ 0.0000000000000000, 0.0014209200000000, 0.0010394300000000 ] - [ 0.0000000000000000, 0.0064939100000000, 0.0033467600000000 ] - [ 0.0000000000000000, 0.0047621900000000, -0.0050645700000000 ] - [ 0.0122027400000000, 0.0122411100000000, -0.0098971400000000 ] - [ -0.0014264600000000, 0.0004292000000000, 0.0025519600000000 ] - [ 0.0014264600000000, 0.0004292000000000, 0.0025519600000000 ] - [ -0.0122027400000000, 0.0122411100000000, -0.0098971400000000 ] - [ 0.0000696100000000, 0.0004435600000000, -0.0000550100000000 ] - [ -0.0005232300000000, 0.0004488400000000, -0.0010371700000000 ] - [ 0.0005232300000000, 0.0004488400000000, -0.0010371700000000 ] - [ -0.0000696100000000, 0.0004435600000000, -0.0000550100000000 ] - [ 0.0000000000000000, -0.0001029100000000, -0.0015696600000000 ] - [ 0.0000000000000000, 0.0006692000000000, 0.0014246900000000 ] - [ 0.0000000000000000, 0.0022433800000000, -0.0023951400000000 ] - [ 0.0000000000000000, 0.0003514100000000, -0.0015606300000000 ] - [ 0.0000000000000000, -0.0133863200000000, 0.0000179900000000 ] - [ 0.0000000000000000, 0.0000772400000000, 0.0027594300000000 ] - [ 0.0000000000000000, -0.1413185000000000, 0.1499356800000000 ] - [ 0.0000000000000000, 0.0014105200000000, 0.0014992400000000 ] - [ 0.0000000000000000, -0.0029927900000000, 0.0008311100000000 ] - [ 0.0000000000000000, -0.0015808800000000, 0.0063664700000000 ] - [ -0.0005719100000000, -0.0012336800000000, 0.0000749800000000 ] - [ -0.0008089200000000, 0.0007452400000000, 0.0014817000000000 ] - [ -0.0085787100000000, 0.0136387500000000, 0.0020140500000000 ] - [ 0.0011052500000000, 0.0015215200000000, 0.0005354300000000 ] - [ 0.0085787100000000, 0.0136387500000000, 0.0020140500000000 ] - [ -0.0011052500000000, 0.0015215200000000, 0.0005354300000000 ] - [ 0.0005719100000000, -0.0012336800000000, 0.0000749800000000 ] - [ 0.0008089200000000, 0.0007452400000000, 0.0014817000000000 ] - [ 0.0000000000000000, 0.0007811200000000, -0.0000182100000000 ] - [ 0.0000000000000000, 0.0000103400000000, -0.0011116700000000 ] - [ 0.0000000000000000, 0.0000668000000000, -0.0006815400000000 ] - [ 0.0000000000000000, 0.0005874900000000, -0.0006278800000000 ] - [ 0.0000000000000000, -0.0006134100000000, -0.0006306000000000 ] - [ 0.0000000000000000, 0.0002284200000000, -0.0008905900000000 ] - [ 0.0002368200000000, 0.0000366900000000, -0.0007190200000000 ] - [ 0.0005852900000000, -0.0000258200000000, -0.0006312500000000 ] - [ -0.0005852900000000, -0.0000258200000000, -0.0006312500000000 ] - [ -0.0002368200000000, 0.0000366900000000, -0.0007190200000000 ] - [ 0.0005742300000000, 0.0000693800000000, -0.0009664600000000 ] - [ -0.0005644800000000, -0.0000538400000000, -0.0009519700000000 ] - [ 0.0005644800000000, -0.0000538400000000, -0.0009519700000000 ] - [ -0.0005742300000000, 0.0000693800000000, -0.0009664600000000 ] - [ 0.0000000000000000, 0.0003226300000000, -0.0008110200000000 ] - [ 0.0000000000000000, -0.0004851900000000, -0.0016033900000000 ] - [ 0.0000000000000000, 0.0004738300000000, -0.0015749100000000 ] - [ 0.0000000000000000, -0.0002437000000000, -0.0014198900000000 ] - [ 0.0000000000000000, -0.0002137100000000, -0.0011112800000000 ] - [ 0.0000000000000000, 0.0002383800000000, -0.0012650300000000 ] - [ 0.0000000000000000, 0.0004326000000000, -0.0007524200000000 ] - [ 0.0000000000000000, -0.0002683700000000, -0.0003313400000000 ] - [ 0.0000000000000000, 0.0000818000000000, -0.0002512200000000 ] - [ 0.0000000000000000, -0.0003809300000000, -0.0007564500000000 ] - [ 0.0001613400000000, 0.0001680100000000, -0.0005295100000000 ] - [ 0.0004805600000000, -0.0002297700000000, -0.0006587000000000 ] - [ -0.0004623700000000, 0.0002232200000000, -0.0006256200000000 ] - [ -0.0002383300000000, -0.0002136900000000, -0.0007102300000000 ] - [ 0.0004623700000000, 0.0002232200000000, -0.0006256200000000 ] - [ 0.0002383300000000, -0.0002136900000000, -0.0007102300000000 ] - [ -0.0001613400000000, 0.0001680100000000, -0.0005295100000000 ] - [ -0.0004805600000000, -0.0002297700000000, -0.0006587000000000 ]- atom: 57 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0011479800000000, -0.0054119800000000, 0.0069316300000000 ] - [ -0.0000003400000000, -0.0004374300000000, 0.0011029200000000 ] - [ 0.0000045200000000, -0.0006828100000000, 0.0019119600000000 ] - [ -0.0000129300000000, -0.0031095500000000, -0.0003723800000000 ] - [ 0.1637199700000000, 0.0701811400000000, -0.1067738800000000 ] - [ 0.0000009600000000, -0.0014849000000000, -0.0005240000000000 ] - [ 0.0011364900000000, 0.0067656300000000, 0.0083640000000000 ] - [ -0.0000133800000000, -0.0038609300000000, -0.0020981000000000 ] - [ 0.1552493900000000, 0.1036430000000000, -0.0610616300000000 ] - [ 0.0000021900000000, -0.0018626000000000, 0.0010942600000000 ] - [ -0.0003573400000000, -0.0008392000000000, 0.0023677400000000 ] - [ -0.0000161300000000, -0.0035431800000000, -0.0019111400000000 ] - [ -0.0002361300000000, 0.0026887400000000, -0.0051507800000000 ] - [ 0.0012186700000000, -0.0093293700000000, 0.0042856200000000 ] - [ 0.0011064100000000, -0.0088015400000000, -0.0092329200000000 ] - [ -0.0002817800000000, -0.0012055300000000, 0.0015880600000000 ] - [ 0.0000000800000000, -0.0003577100000000, 0.0009710800000000 ] - [ -0.0002905800000000, -0.0003132100000000, 0.0027555100000000 ] - [ 0.0000041400000000, -0.0013062700000000, 0.0008308800000000 ] - [ -0.0000013400000000, 0.0000534800000000, 0.0013386700000000 ] - [ -0.0000007500000000, -0.0004190300000000, 0.0007059100000000 ] - [ -0.0000012800000000, 0.0002113300000000, 0.0013272100000000 ] - [ -0.0000002900000000, -0.0000358500000000, 0.0010189700000000 ] - [ 0.0000000600000000, 0.0003919400000000, 0.0008833200000000 ] - [ -0.0000005200000000, -0.0002390300000000, 0.0006661100000000 ] - [ 0.0000024400000000, 0.0002450900000000, 0.0022380300000000 ] - [ -0.0000003300000000, -0.0003371900000000, 0.0014770900000000 ] - [ 0.0000000500000000, 0.0002567500000000, 0.0008400600000000 ] - [ 0.0000001200000000, 0.0001315000000000, 0.0001543800000000 ] - [ -0.0000004800000000, -0.0000181500000000, 0.0015448400000000 ] - [ -0.0000003700000000, -0.0000107800000000, 0.0013358300000000 ] - [ 0.0000000000000000, -0.0002246100000000, 0.0005995600000000 ] - [ -0.0000999500000000, 0.0035171000000000, -0.0003560900000000 ] - [ -0.0000004900000000, 0.0004577800000000, -0.0009336300000000 ] - [ 0.0082674000000000, 0.0214266700000000, 0.0059678400000000 ] - [ 0.0000540700000000, 0.0020521300000000, -0.0011214600000000 ] - [ 0.0000612900000000, -0.0001155200000000, -0.0005337400000000 ] - [ -0.0001838000000000, 0.0035316400000000, 0.0002485600000000 ] - [ -0.0026375900000000, 0.0003911400000000, 0.0030103100000000 ] - [ 0.0019391500000000, 0.0016629700000000, -0.0019640100000000 ] - [ -0.0014868800000000, 0.0013492300000000, -0.0012326900000000 ] - [ 0.0028489500000000, 0.0005354400000000, 0.0034902200000000 ] - [ 0.0003018000000000, 0.0002666500000000, -0.0004884400000000 ] - [ -0.0004310300000000, -0.0000640800000000, -0.0007645800000000 ] - [ 0.0004334100000000, -0.0000634800000000, -0.0007690400000000 ] - [ -0.0003021900000000, 0.0002667100000000, -0.0004885900000000 ] - [ 0.0072541300000000, 0.0103449000000000, -0.0161038300000000 ] - [ -0.0000012000000000, 0.0002045200000000, -0.0005891200000000 ] - [ 0.0000486200000000, 0.0006531400000000, -0.0017939100000000 ] - [ 0.0000009800000000, 0.0013571100000000, 0.0014409400000000 ] - [ 0.0070614700000000, -0.0030457000000000, -0.0199583100000000 ] - [ 0.0000014400000000, 0.0008288500000000, 0.0004987300000000 ] - [ -0.0000447200000000, -0.0040618900000000, 0.0002069200000000 ] - [ -0.0001189000000000, 0.0046786200000000, 0.0011841900000000 ] - [ 0.0081361100000000, 0.0197038000000000, -0.0082463000000000 ] - [ 0.0000383200000000, 0.0005877400000000, 0.0007367800000000 ] - [ -0.4444219900000000, -0.2054314500000000, 0.1914986500000000 ] - [ -0.0002487600000000, 0.0006327500000000, 0.0002056100000000 ] - [ -0.0011824800000000, -0.0003229600000000, -0.0014575300000000 ] - [ 0.0013505500000000, 0.0016605600000000, 0.0010553100000000 ] - [ 0.0017154600000000, -0.0002679400000000, -0.0022976900000000 ] - [ -0.0013822500000000, 0.0016991400000000, 0.0010630200000000 ] - [ 0.0898412900000000, -0.0096045700000000, 0.0100483300000000 ] - [ 0.0002523000000000, 0.0006376100000000, 0.0002080200000000 ] - [ -0.0000001100000000, 0.0001761700000000, 0.0000208100000000 ] - [ 0.0000482100000000, 0.0011086500000000, -0.0010434400000000 ] - [ 0.0000004200000000, 0.0000721800000000, -0.0005752000000000 ] - [ -0.0000009300000000, 0.0006246000000000, -0.0005451600000000 ] - [ -0.0000007600000000, -0.0002991700000000, -0.0003069800000000 ] - [ 0.0000004100000000, -0.0000461400000000, -0.0006152500000000 ] - [ 0.0001120700000000, -0.0000190500000000, -0.0005119200000000 ] - [ 0.0004544300000000, 0.0000361900000000, -0.0004138300000000 ] - [ -0.0004547000000000, 0.0000362300000000, -0.0004136200000000 ] - [ -0.0001126300000000, -0.0000190100000000, -0.0005121600000000 ] - [ 0.0018862200000000, 0.0008063200000000, -0.0026553400000000 ] - [ -0.0002215600000000, 0.0005426300000000, -0.0001987100000000 ] - [ 0.0002145300000000, 0.0005365500000000, -0.0001915300000000 ] - [ -0.0014102500000000, 0.0005950800000000, -0.0018699400000000 ] - [ -0.0000001500000000, 0.0003401900000000, -0.0008370700000000 ] - [ 0.0000435700000000, -0.0005382600000000, -0.0017839700000000 ] - [ -0.0000016900000000, 0.0004961200000000, -0.0009330700000000 ] - [ 0.0000000300000000, -0.0003450400000000, -0.0010074500000000 ] - [ -0.0000002300000000, -0.0000999500000000, -0.0006994300000000 ] - [ -0.0000000100000000, 0.0001298100000000, -0.0008904100000000 ] - [ -0.0000004800000000, 0.0002761000000000, -0.0005332100000000 ] - [ 0.0000000600000000, -0.0001322100000000, -0.0001093600000000 ] - [ 0.0000000800000000, 0.0001528300000000, -0.0000915800000000 ] - [ -0.0000003500000000, -0.0004618500000000, -0.0006106400000000 ] - [ 0.0001165400000000, 0.0001898900000000, -0.0004129500000000 ] - [ 0.0004483100000000, -0.0002585800000000, -0.0005697500000000 ] - [ -0.0003497900000000, 0.0001866400000000, -0.0003599500000000 ] - [ -0.0001515500000000, -0.0002065400000000, -0.0004812500000000 ] - [ 0.0003493100000000, 0.0001865700000000, -0.0003598900000000 ] - [ 0.0001511400000000, -0.0002064800000000, -0.0004813400000000 ] - [ -0.0001169100000000, 0.0001899100000000, -0.0004128600000000 ] - [ -0.0004472400000000, -0.0002567600000000, -0.0005667900000000 ]- atom: 57 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0011446500000000, 0.0054238200000000, -0.0072144500000000 ] - [ 0.0000003500000000, 0.0004491200000000, -0.0008222100000000 ] - [ -0.0000045200000000, 0.0006738100000000, -0.0016316400000000 ] - [ 0.0000127200000000, 0.0031026000000000, 0.0000923000000000 ] - [ -0.1547981800000000, -0.0661698200000000, 0.0998735800000000 ] - [ -0.0000008800000000, 0.0011110100000000, 0.0009161800000000 ] - [ -0.0011461500000000, -0.0063964900000000, -0.0079890400000000 ] - [ 0.0000139000000000, 0.0042291100000000, 0.0017075300000000 ] - [ -0.1641735300000000, -0.1105248700000000, 0.0641336400000000 ] - [ -0.0000021900000000, 0.0017553100000000, -0.0001743600000000 ] - [ 0.0003606900000000, 0.0009501400000000, -0.0014504000000000 ] - [ 0.0000155900000000, 0.0036466400000000, 0.0009946600000000 ] - [ 0.0002384800000000, -0.0026903000000000, 0.0038733200000000 ] - [ -0.0012211800000000, 0.0093308600000000, -0.0030109000000000 ] - [ -0.0011016700000000, 0.0087841900000000, 0.0100790200000000 ] - [ 0.0002808100000000, 0.0012104500000000, -0.0024388900000000 ] - [ -0.0000000300000000, 0.0003693000000000, -0.0012537200000000 ] - [ 0.0002897500000000, 0.0003247800000000, -0.0024764600000000 ] - [ -0.0000039700000000, 0.0012974100000000, -0.0005493800000000 ] - [ 0.0000013500000000, -0.0000634100000000, -0.0016210600000000 ] - [ 0.0000007500000000, 0.0000483600000000, -0.0010985000000000 ] - [ 0.0000013300000000, -0.0005823800000000, -0.0009371300000000 ] - [ 0.0000002700000000, 0.0004077100000000, -0.0006282000000000 ] - [ 0.0000000100000000, -0.0000203200000000, -0.0012760800000000 ] - [ 0.0000005600000000, 0.0001332400000000, -0.0015872300000000 ] - [ -0.0000024200000000, -0.0003512400000000, -0.0013203200000000 ] - [ 0.0000003800000000, 0.0004445000000000, -0.0005578300000000 ] - [ -0.0000000500000000, -0.0001496900000000, -0.0017609800000000 ] - [ -0.0000001400000000, -0.0001309900000000, -0.0014298300000000 ] - [ 0.0000004900000000, 0.0000184700000000, -0.0002712200000000 ] - [ 0.0000004600000000, 0.0000113100000000, -0.0004828000000000 ] - [ 0.0000000300000000, 0.0002253100000000, -0.0014550100000000 ] - [ 0.0001000800000000, -0.0035268800000000, 0.0012593000000000 ] - [ 0.0000007300000000, -0.0004579900000000, 0.0000309000000000 ] - [ -0.0081617300000000, -0.0210001200000000, -0.0061887600000000 ] - [ -0.0000553200000000, -0.0015246100000000, 0.0013538100000000 ] - [ -0.0000626900000000, -0.0004091700000000, 0.0007663900000000 ] - [ 0.0001839800000000, -0.0040573400000000, -0.0004848900000000 ] - [ 0.0023287400000000, -0.0003884600000000, -0.0031632800000000 ] - [ -0.0016227100000000, -0.0016606000000000, 0.0021109300000000 ] - [ 0.0011686600000000, -0.0013469800000000, 0.0013780100000000 ] - [ -0.0025371300000000, -0.0005342300000000, -0.0036388400000000 ] - [ -0.0003012800000000, 0.0000203700000000, 0.0005005800000000 ] - [ 0.0004316300000000, -0.0002225300000000, 0.0007528500000000 ] - [ -0.0004342100000000, -0.0002232900000000, 0.0007574000000000 ] - [ 0.0003018800000000, 0.0000204100000000, 0.0005006900000000 ] - [ -0.0072070200000000, -0.0104007200000000, 0.0163854000000000 ] - [ 0.0000011400000000, -0.0001692600000000, 0.0004407200000000 ] - [ -0.0000492400000000, -0.0006887300000000, 0.0016351400000000 ] - [ -0.0000008500000000, -0.0013927100000000, -0.0012948800000000 ] - [ -0.0071545500000000, 0.0030656500000000, 0.0198660200000000 ] - [ -0.0000014500000000, -0.0008265800000000, -0.0005005800000000 ] - [ 0.0000439000000000, 0.0042589200000000, -0.0007241700000000 ] - [ 0.0001195000000000, -0.0044729900000000, -0.0006660100000000 ] - [ -0.0081847800000000, -0.0197521000000000, 0.0086841200000000 ] - [ -0.0000389000000000, -0.0007820300000000, -0.0012532400000000 ] - [ 0.4441970400000000, 0.2078668100000000, -0.1889141400000000 ] - [ 0.0004747500000000, -0.0005907600000000, -0.0001935500000000 ] - [ 0.0009524200000000, 0.0002813400000000, 0.0014673500000000 ] - [ -0.0011238200000000, -0.0017001600000000, -0.0010674200000000 ] - [ -0.0014910200000000, 0.0002254600000000, 0.0023159200000000 ] - [ 0.0011555000000000, -0.0017381000000000, -0.0010752600000000 ] - [ -0.0896207800000000, 0.0096388300000000, -0.0100722300000000 ] - [ -0.0004782600000000, -0.0005955600000000, -0.0001961200000000 ] - [ -0.0000000800000000, -0.0001761600000000, 0.0008821500000000 ] - [ -0.0000478000000000, -0.0011096900000000, 0.0001412800000000 ] - [ 0.0000008300000000, 0.0004500600000000, 0.0003416500000000 ] - [ -0.0000002600000000, -0.0000986900000000, 0.0007799100000000 ] - [ -0.0000004100000000, -0.0002218900000000, 0.0005412600000000 ] - [ 0.0000008400000000, -0.0004796700000000, 0.0003814900000000 ] - [ -0.0004230200000000, 0.0000193200000000, 0.0003602900000000 ] - [ -0.0001441200000000, -0.0000355100000000, 0.0005663500000000 ] - [ 0.0001447200000000, -0.0000355100000000, 0.0005666700000000 ] - [ 0.0004232900000000, 0.0000193600000000, 0.0003600400000000 ] - [ -0.0018889000000000, -0.0005195500000000, 0.0026703000000000 ] - [ 0.0002223600000000, -0.0008299400000000, 0.0001866100000000 ] - [ -0.0002155200000000, -0.0008236000000000, 0.0001794700000000 ] - [ 0.0014157800000000, -0.0003090100000000, 0.0018878500000000 ] - [ 0.0000003000000000, -0.0003049300000000, 0.0009975900000000 ] - [ -0.0000435100000000, 0.0005740100000000, 0.0016377400000000 ] - [ 0.0000015700000000, -0.0005311300000000, 0.0007735400000000 ] - [ 0.0000000500000000, 0.0003107400000000, 0.0011563000000000 ] - [ 0.0000002100000000, 0.0001005800000000, 0.0007000300000000 ] - [ 0.0000000200000000, -0.0001295200000000, 0.0008914100000000 ] - [ -0.0000000500000000, -0.0000784700000000, 0.0000166600000000 ] - [ 0.0000004900000000, 0.0003303700000000, 0.0006265500000000 ] - [ 0.0000005100000000, -0.0003498000000000, 0.0006079500000000 ] - [ -0.0000002100000000, 0.0002654600000000, 0.0000937500000000 ] - [ -0.0003429300000000, -0.0001485100000000, 0.0004000700000000 ] - [ -0.0002223400000000, 0.0002999700000000, 0.0005825000000000 ] - [ 0.0001236700000000, -0.0002271000000000, 0.0003733100000000 ] - [ 0.0003781000000000, 0.0001661800000000, 0.0004699400000000 ] - [ -0.0001231600000000, -0.0002271100000000, 0.0003731500000000 ] - [ -0.0003776900000000, 0.0001661600000000, 0.0004699700000000 ] - [ 0.0003433600000000, -0.0001484900000000, 0.0004001700000000 ] - [ 0.0002213200000000, 0.0002982300000000, 0.0005793400000000 ]- atom: 57 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0007242600000000, -0.0036085500000000, 0.0062045800000000 ] - [ -0.0000002200000000, -0.0002871700000000, 0.0010982600000000 ] - [ 0.0000005300000000, -0.0000775200000000, 0.0013726700000000 ] - [ -0.0000037300000000, -0.0032499800000000, 0.0003045400000000 ] - [ 0.0557606100000000, 0.0543928700000000, -0.0373595400000000 ] - [ 0.0000029300000000, -0.0035714400000000, -0.0001491700000000 ] - [ 0.0003615500000000, 0.0047524200000000, 0.0021304200000000 ] - [ -0.0000239300000000, -0.0067449700000000, -0.0015790900000000 ] - [ 0.0914214800000000, 0.0913744500000000, -0.0362425500000000 ] - [ 0.0000037000000000, -0.0030838900000000, 0.0014364100000000 ] - [ -0.0000211800000000, 0.0024747900000000, 0.0021293800000000 ] - [ -0.0000251800000000, -0.0062903400000000, -0.0008409700000000 ] - [ -0.0001146800000000, 0.0005217600000000, -0.0069937100000000 ] - [ 0.0015930700000000, -0.0139062700000000, 0.0081748200000000 ] - [ 0.0013695200000000, -0.0135594200000000, -0.0100996200000000 ] - [ -0.0002766900000000, -0.0008602900000000, 0.0052482200000000 ] - [ 0.0000000200000000, -0.0002336700000000, 0.0007465100000000 ] - [ -0.0002414000000000, 0.0000759200000000, 0.0027471400000000 ] - [ 0.0000015000000000, -0.0012616000000000, 0.0010683100000000 ] - [ -0.0000005300000000, 0.0001425600000000, 0.0008718500000000 ] - [ -0.0000000800000000, -0.0004013200000000, 0.0004152400000000 ] - [ -0.0000003100000000, 0.0002316600000000, 0.0009267100000000 ] - [ 0.0000002200000000, -0.0001026200000000, 0.0007382600000000 ] - [ 0.0000002500000000, 0.0003722100000000, 0.0005123300000000 ] - [ -0.0000000200000000, -0.0002277700000000, 0.0003391900000000 ] - [ 0.0000017900000000, 0.0003692200000000, 0.0018754100000000 ] - [ -0.0000001600000000, -0.0004065200000000, 0.0013296700000000 ] - [ 0.0000002400000000, 0.0002485500000000, 0.0004066300000000 ] - [ -0.0000000300000000, 0.0000856100000000, -0.0001819100000000 ] - [ 0.0000000300000000, -0.0000215900000000, 0.0012901400000000 ] - [ 0.0000001400000000, 0.0000079000000000, 0.0009952000000000 ] - [ -0.0000002100000000, -0.0001569200000000, 0.0003422600000000 ] - [ -0.0000178000000000, 0.0024375400000000, -0.0006964700000000 ] - [ 0.0000002200000000, 0.0001505900000000, -0.0009235800000000 ] - [ 0.0176762800000000, 0.0256218000000000, 0.0063690000000000 ] - [ 0.0000729500000000, 0.0029680900000000, -0.0021087300000000 ] - [ 0.0000114500000000, -0.0020862400000000, -0.0019248100000000 ] - [ -0.0002467100000000, 0.0060549400000000, -0.0009737200000000 ] - [ -0.0026031000000000, 0.0015100800000000, 0.0036152700000000 ] - [ 0.0029097200000000, 0.0023723500000000, -0.0041596700000000 ] - [ -0.0021633100000000, 0.0019200300000000, -0.0030083400000000 ] - [ 0.0030551900000000, 0.0016156900000000, 0.0044233100000000 ] - [ 0.0002589800000000, 0.0002365600000000, -0.0004190300000000 ] - [ -0.0003015800000000, -0.0001708200000000, -0.0005194200000000 ] - [ 0.0003020500000000, -0.0001705100000000, -0.0005202400000000 ] - [ -0.0002589100000000, 0.0002363600000000, -0.0004191500000000 ] - [ 0.0074117100000000, 0.0016723100000000, -0.0111646200000000 ] - [ -0.0000014300000000, 0.0003370700000000, -0.0007236000000000 ] - [ 0.0000081400000000, -0.0000888600000000, -0.0011233100000000 ] - [ 0.0000004300000000, 0.0016740400000000, 0.0008609700000000 ] - [ 0.0013162100000000, -0.0085701700000000, -0.0038133000000000 ] - [ 0.0000014000000000, 0.0019243000000000, -0.0004248600000000 ] - [ -0.0000720600000000, -0.0034006100000000, 0.0010004100000000 ] - [ -0.0001476600000000, 0.0069644700000000, 0.0009871300000000 ] - [ 0.0172657600000000, 0.0243329100000000, -0.0134837200000000 ] - [ 0.0000398600000000, 0.0023467700000000, 0.0012851700000000 ] - [ -0.2052930700000000, -0.1595446500000000, 0.0902065900000000 ] - [ -0.0004975000000000, 0.0012272500000000, 0.0002436500000000 ] - [ 0.0001944300000000, -0.0012040100000000, -0.0002716300000000 ] - [ 0.0017923600000000, 0.0027326900000000, 0.0010401200000000 ] - [ -0.0001410600000000, -0.0010922400000000, -0.0003617800000000 ] - [ -0.0018305300000000, 0.0028001300000000, 0.0010467100000000 ] - [ 0.0097291900000000, -0.0157728100000000, 0.0031583600000000 ] - [ 0.0005023600000000, 0.0012342300000000, 0.0002468700000000 ] - [ -0.0000000400000000, 0.0000549200000000, 0.0001394300000000 ] - [ 0.0000452000000000, 0.0008608300000000, -0.0010366400000000 ] - [ 0.0000006400000000, 0.0001478000000000, -0.0004222300000000 ] - [ -0.0000006100000000, 0.0004812900000000, -0.0003885000000000 ] - [ -0.0000005500000000, -0.0002548700000000, -0.0002199800000000 ] - [ 0.0000006400000000, -0.0001522900000000, -0.0004333700000000 ] - [ 0.0000109900000000, -0.0000143300000000, -0.0003433200000000 ] - [ 0.0003756900000000, 0.0000270900000000, -0.0002827700000000 ] - [ -0.0003755100000000, 0.0000271100000000, -0.0002825600000000 ] - [ -0.0000111100000000, -0.0000142700000000, -0.0003438100000000 ] - [ 0.0014937500000000, 0.0004827800000000, -0.0023739800000000 ] - [ -0.0002975100000000, 0.0005773500000000, -0.0003737100000000 ] - [ 0.0002986700000000, 0.0005784000000000, -0.0003738400000000 ] - [ -0.0010833500000000, 0.0002258800000000, -0.0017281400000000 ] - [ 0.0000000800000000, 0.0002684500000000, -0.0005976500000000 ] - [ 0.0000343600000000, -0.0006169200000000, -0.0015757600000000 ] - [ -0.0000008900000000, 0.0005372800000000, -0.0009155800000000 ] - [ 0.0000001000000000, -0.0002741400000000, -0.0006642300000000 ] - [ -0.0000000100000000, -0.0000358700000000, -0.0004634000000000 ] - [ 0.0000001200000000, 0.0000537200000000, -0.0005785500000000 ] - [ -0.0000003100000000, 0.0002797100000000, -0.0004058700000000 ] - [ 0.0000002900000000, -0.0000822000000000, 0.0000082400000000 ] - [ 0.0000003000000000, 0.0001098400000000, 0.0000142700000000 ] - [ -0.0000002600000000, -0.0004046600000000, -0.0004519700000000 ] - [ 0.0000558600000000, 0.0001596400000000, -0.0002919300000000 ] - [ 0.0003923400000000, -0.0002622800000000, -0.0004151800000000 ] - [ -0.0003197800000000, 0.0002024300000000, -0.0002738100000000 ] - [ -0.0000728300000000, -0.0001662800000000, -0.0003233400000000 ] - [ 0.0003197900000000, 0.0002024100000000, -0.0002737300000000 ] - [ 0.0000728400000000, -0.0001662200000000, -0.0003236800000000 ] - [ -0.0000558100000000, 0.0001596300000000, -0.0002918400000000 ] - [ -0.0003905200000000, -0.0002595800000000, -0.0004137500000000 ]- atom: 57 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0007194700000000, 0.0036024800000000, -0.0064780700000000 ] - [ 0.0000002600000000, 0.0003044200000000, -0.0008148600000000 ] - [ -0.0000004900000000, 0.0000758000000000, -0.0010976800000000 ] - [ 0.0000036100000000, 0.0032379500000000, -0.0005950700000000 ] - [ -0.0549166300000000, -0.0553371400000000, 0.0364593100000000 ] - [ -0.0000028500000000, 0.0032034800000000, 0.0005495400000000 ] - [ -0.0003722400000000, -0.0044376100000000, -0.0018214400000000 ] - [ 0.0000237600000000, 0.0071197300000000, 0.0011943200000000 ] - [ -0.0948188100000000, -0.0922239500000000, 0.0366057900000000 ] - [ -0.0000036200000000, 0.0029827300000000, -0.0005107600000000 ] - [ 0.0000247600000000, -0.0023415000000000, -0.0012204500000000 ] - [ 0.0000256000000000, 0.0064115700000000, -0.0000882400000000 ] - [ 0.0001175500000000, -0.0005475600000000, 0.0057541500000000 ] - [ -0.0015867300000000, 0.0139065200000000, -0.0068824000000000 ] - [ -0.0013863600000000, 0.0136191800000000, 0.0110201200000000 ] - [ 0.0002761400000000, 0.0008786000000000, -0.0060853600000000 ] - [ 0.0000000600000000, 0.0002476400000000, -0.0010285700000000 ] - [ 0.0002405000000000, -0.0000685900000000, -0.0024655400000000 ] - [ -0.0000013500000000, 0.0012503000000000, -0.0007925900000000 ] - [ 0.0000005700000000, -0.0001499900000000, -0.0011571300000000 ] - [ 0.0000001200000000, 0.0000313500000000, -0.0008085900000000 ] - [ 0.0000004000000000, -0.0006014200000000, -0.0005368800000000 ] - [ -0.0000002100000000, 0.0004757500000000, -0.0003489400000000 ] - [ -0.0000001700000000, -0.0000004500000000, -0.0009058200000000 ] - [ 0.0000000900000000, 0.0001228600000000, -0.0012606400000000 ] - [ -0.0000017700000000, -0.0004752700000000, -0.0009568600000000 ] - [ 0.0000002400000000, 0.0005145500000000, -0.0004131100000000 ] - [ -0.0000001900000000, -0.0001404700000000, -0.0013291400000000 ] - [ 0.0000000500000000, -0.0000835500000000, -0.0010942300000000 ] - [ 0.0000000100000000, 0.0000221700000000, -0.0000172900000000 ] - [ -0.0000000300000000, -0.0000059800000000, -0.0001428400000000 ] - [ 0.0000002700000000, 0.0001571900000000, -0.0011985600000000 ] - [ 0.0000170400000000, -0.0024265600000000, 0.0016031800000000 ] - [ 0.0000000500000000, -0.0001546800000000, 0.0000210400000000 ] - [ -0.0180486200000000, -0.0255367800000000, -0.0066729000000000 ] - [ -0.0000736800000000, -0.0024435800000000, 0.0023392500000000 ] - [ -0.0000128400000000, 0.0015477500000000, 0.0021515800000000 ] - [ 0.0002517600000000, -0.0066077600000000, 0.0007421700000000 ] - [ 0.0023077400000000, -0.0015087800000000, -0.0037884800000000 ] - [ -0.0025865400000000, -0.0023687600000000, 0.0042914300000000 ] - [ 0.0018453600000000, -0.0019209200000000, 0.0031507600000000 ] - [ -0.0027664600000000, -0.0016196200000000, -0.0046107700000000 ] - [ -0.0002581700000000, 0.0000506100000000, 0.0004305900000000 ] - [ 0.0003032400000000, -0.0001165800000000, 0.0005097100000000 ] - [ -0.0003038400000000, -0.0001171300000000, 0.0005106400000000 ] - [ 0.0002583700000000, 0.0000509800000000, 0.0004306600000000 ] - [ -0.0074771200000000, -0.0015713100000000, 0.0113891400000000 ] - [ 0.0000013900000000, -0.0003031200000000, 0.0005706800000000 ] - [ -0.0000086700000000, 0.0000476900000000, 0.0009720500000000 ] - [ -0.0000003400000000, -0.0017078900000000, -0.0007050100000000 ] - [ -0.0013678500000000, 0.0085678700000000, 0.0039584700000000 ] - [ -0.0000012900000000, -0.0019221200000000, 0.0004179000000000 ] - [ 0.0000715800000000, 0.0036344800000000, -0.0015213900000000 ] - [ 0.0001467000000000, -0.0067624700000000, -0.0004716100000000 ] - [ -0.0169649300000000, -0.0242209100000000, 0.0138444500000000 ] - [ -0.0000410800000000, -0.0025428300000000, -0.0018102500000000 ] - [ 0.2078319100000000, 0.1608401400000000, -0.0909614600000000 ] - [ 0.0007259600000000, -0.0011868800000000, -0.0002349000000000 ] - [ -0.0004098600000000, 0.0011624100000000, 0.0002995000000000 ] - [ -0.0015684500000000, -0.0027765400000000, -0.0010522200000000 ] - [ 0.0003523700000000, 0.0010503400000000, 0.0003967400000000 ] - [ 0.0016067900000000, -0.0028426600000000, -0.0010585800000000 ] - [ -0.0095111600000000, 0.0158337500000000, -0.0031710000000000 ] - [ -0.0007307400000000, -0.0011938200000000, -0.0002382900000000 ] - [ -0.0000001100000000, -0.0000560600000000, 0.0007640500000000 ] - [ -0.0000449200000000, -0.0008562700000000, 0.0001347900000000 ] - [ 0.0000006400000000, 0.0003751900000000, 0.0001888900000000 ] - [ -0.0000005400000000, 0.0000462500000000, 0.0006231700000000 ] - [ -0.0000005900000000, -0.0002646000000000, 0.0004553400000000 ] - [ 0.0000006400000000, -0.0003735600000000, 0.0002003000000000 ] - [ -0.0003221600000000, 0.0000151400000000, 0.0001919100000000 ] - [ -0.0000655800000000, -0.0000253800000000, 0.0004360100000000 ] - [ 0.0000657900000000, -0.0000253800000000, 0.0004363200000000 ] - [ 0.0003220500000000, 0.0000151600000000, 0.0001919900000000 ] - [ -0.0014936500000000, -0.0001920400000000, 0.0023862900000000 ] - [ 0.0002998000000000, -0.0008627400000000, 0.0003649100000000 ] - [ -0.0003011800000000, -0.0008637000000000, 0.0003651500000000 ] - [ 0.0010829000000000, 0.0000658000000000, 0.0017390700000000 ] - [ 0.0000001000000000, -0.0002323400000000, 0.0007586900000000 ] - [ -0.0000343100000000, 0.0006541200000000, 0.0014281100000000 ] - [ 0.0000007900000000, -0.0005721000000000, 0.0007584600000000 ] - [ 0.0000000200000000, 0.0002403900000000, 0.0008149100000000 ] - [ 0.0000000200000000, 0.0000374400000000, 0.0004649900000000 ] - [ -0.0000000700000000, -0.0000527700000000, 0.0005800700000000 ] - [ -0.0000002000000000, -0.0000819600000000, -0.0001103400000000 ] - [ 0.0000003000000000, 0.0002817500000000, 0.0005096200000000 ] - [ 0.0000003200000000, -0.0003059500000000, 0.0005027500000000 ] - [ -0.0000002700000000, 0.0002085100000000, -0.0000648900000000 ] - [ -0.0002823800000000, -0.0001174100000000, 0.0002794800000000 ] - [ -0.0001663300000000, 0.0003045900000000, 0.0004277800000000 ] - [ 0.0000941100000000, -0.0002425800000000, 0.0002879500000000 ] - [ 0.0002996900000000, 0.0001267300000000, 0.0003125500000000 ] - [ -0.0000940100000000, -0.0002426100000000, 0.0002878100000000 ] - [ -0.0002996100000000, 0.0001266600000000, 0.0003129500000000 ] - [ 0.0002824400000000, -0.0001173800000000, 0.0002795500000000 ] - [ 0.0001646200000000, 0.0003019700000000, 0.0004261400000000 ]- atom: 57 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ -0.0015346800000000, 0.0097988100000000, -0.0091419100000000 ] - [ 0.0000003500000000, 0.0006239000000000, -0.0014836100000000 ] - [ -0.0000073200000000, 0.0013171000000000, -0.0028982200000000 ] - [ 0.0000311500000000, 0.0047037500000000, 0.0015606000000000 ] - [ -0.0876738400000000, -0.0380923200000000, 0.0879134900000000 ] - [ 0.0000019600000000, -0.0004647400000000, 0.0012741700000000 ] - [ -0.0016196300000000, -0.0070583200000000, -0.0117371700000000 ] - [ 0.0000216700000000, 0.0027750200000000, 0.0027566400000000 ] - [ -0.0490472300000000, -0.0337605500000000, 0.0521278900000000 ] - [ -0.0000011900000000, 0.0012493700000000, -0.0004653400000000 ] - [ 0.0004798000000000, 0.0030273300000000, -0.0032793800000000 ] - [ -0.0000043000000000, 0.0014319000000000, 0.0038653400000000 ] - [ 0.0002911700000000, -0.0042593700000000, 0.0029906100000000 ] - [ -0.0005610900000000, 0.0065097300000000, 0.0004955500000000 ] - [ -0.0004374300000000, 0.0011284700000000, 0.0064691100000000 ] - [ 0.0000050800000000, 0.0028989200000000, -0.0009041900000000 ] - [ -0.0000000600000000, 0.0006010500000000, -0.0021148900000000 ] - [ 0.0003395900000000, 0.0014238400000000, -0.0044692200000000 ] - [ -0.0000095500000000, 0.0022897600000000, -0.0003336900000000 ] - [ 0.0000016500000000, -0.0000855600000000, -0.0027574400000000 ] - [ -0.0000001300000000, 0.0002023700000000, -0.0018299800000000 ] - [ 0.0000018700000000, -0.0007963800000000, -0.0019633400000000 ] - [ 0.0000001600000000, 0.0004082200000000, -0.0012668600000000 ] - [ 0.0000003000000000, -0.0001205200000000, -0.0021990900000000 ] - [ -0.0000000100000000, 0.0002223600000000, -0.0025045300000000 ] - [ -0.0000055800000000, -0.0003354700000000, -0.0027114600000000 ] - [ -0.0000000300000000, 0.0005896100000000, -0.0010685600000000 ] - [ 0.0000001500000000, -0.0002740600000000, -0.0028213400000000 ] - [ 0.0000000200000000, -0.0003089000000000, -0.0021658100000000 ] - [ -0.0000000200000000, 0.0000571800000000, -0.0009788600000000 ] - [ 0.0000001100000000, 0.0000011700000000, -0.0012815300000000 ] - [ 0.0000001800000000, 0.0005011900000000, -0.0022222800000000 ] - [ 0.0001236400000000, -0.0056641600000000, 0.0006293500000000 ] - [ 0.0000008800000000, -0.0007909600000000, 0.0003133400000000 ] - [ 0.0002584700000000, -0.0019346100000000, -0.0103207900000000 ] - [ -0.0000116700000000, -0.0013908500000000, 0.0009991700000000 ] - [ -0.0000261600000000, -0.0019447100000000, 0.0004258200000000 ] - [ -0.0000051200000000, 0.0000498600000000, -0.0021213700000000 ] - [ 0.0015725900000000, 0.0007344300000000, -0.0026312000000000 ] - [ -0.0000555100000000, -0.0013887800000000, 0.0002872200000000 ] - [ -0.0001121300000000, -0.0014059800000000, -0.0000394600000000 ] - [ -0.0017139700000000, 0.0004385600000000, -0.0028438300000000 ] - [ -0.0005241800000000, -0.0000332700000000, 0.0008736800000000 ] - [ 0.0007494500000000, -0.0003147300000000, 0.0013206300000000 ] - [ -0.0007538800000000, -0.0003159500000000, 0.0013273700000000 ] - [ 0.0005243100000000, -0.0000332900000000, 0.0008738100000000 ] - [ -0.0150071700000000, -0.0158993800000000, 0.0181364000000000 ] - [ 0.0000000900000000, -0.0000206600000000, 0.0007842600000000 ] - [ -0.0000725400000000, -0.0013745400000000, 0.0028538500000000 ] - [ -0.0000065000000000, -0.0017704600000000, -0.0031546400000000 ] - [ -0.0156119300000000, 0.0023630300000000, 0.0232189200000000 ] - [ -0.0000050300000000, -0.0000601200000000, -0.0014481400000000 ] - [ 0.0000566100000000, 0.0048688200000000, -0.0003433800000000 ] - [ 0.0000901500000000, -0.0031445000000000, -0.0012166800000000 ] - [ -0.0067193400000000, -0.0102544000000000, -0.0016767400000000 ] - [ -0.0000404500000000, 0.0006394000000000, -0.0007952400000000 ] - [ 0.1886195200000000, 0.0901257800000000, -0.1432052700000000 ] - [ 0.0003115000000000, -0.0002175900000000, -0.0001046800000000 ] - [ 0.0013445300000000, -0.0003058000000000, 0.0024290200000000 ] - [ -0.0009467600000000, -0.0010640300000000, -0.0015731100000000 ] - [ -0.0021846100000000, -0.0003986400000000, 0.0037575900000000 ] - [ 0.0009544400000000, -0.0010704700000000, -0.0015919800000000 ] - [ -0.0099452100000000, 0.0031852000000000, -0.0164780400000000 ] - [ -0.0003140200000000, -0.0002208600000000, -0.0001056600000000 ] - [ -0.0000004300000000, -0.0002998300000000, 0.0012178800000000 ] - [ -0.0000598300000000, -0.0021991800000000, 0.0004210400000000 ] - [ 0.0000006000000000, 0.0006429300000000, 0.0007373900000000 ] - [ -0.0000004000000000, -0.0004945400000000, 0.0013153900000000 ] - [ -0.0000006500000000, -0.0002242400000000, 0.0007914000000000 ] - [ 0.0000006000000000, -0.0006733300000000, 0.0008029400000000 ] - [ -0.0006593800000000, 0.0000487400000000, 0.0007492500000000 ] - [ -0.0003727200000000, -0.0000822000000000, 0.0009417800000000 ] - [ 0.0003728600000000, -0.0000822000000000, 0.0009419600000000 ] - [ 0.0006591700000000, 0.0000487900000000, 0.0007490000000000 ] - [ -0.0022572400000000, -0.0013989200000000, 0.0038946200000000 ] - [ 0.0000414600000000, -0.0011858700000000, -0.0001433200000000 ] - [ -0.0000324900000000, -0.0011756800000000, -0.0001560300000000 ] - [ 0.0015426000000000, -0.0011382700000000, 0.0027233500000000 ] - [ 0.0000000700000000, -0.0005346200000000, 0.0017255800000000 ] - [ -0.0000552500000000, 0.0007045400000000, 0.0027900600000000 ] - [ 0.0000022500000000, -0.0007431500000000, 0.0010628900000000 ] - [ -0.0000003000000000, 0.0005516700000000, 0.0020150000000000 ] - [ -0.0000000200000000, 0.0002116000000000, 0.0012621400000000 ] - [ -0.0000003800000000, -0.0002760900000000, 0.0016767400000000 ] - [ -0.0000003400000000, -0.0001184300000000, 0.0002664500000000 ] - [ 0.0000002600000000, 0.0004735100000000, 0.0009247200000000 ] - [ 0.0000002800000000, -0.0005394300000000, 0.0008918400000000 ] - [ -0.0000006800000000, 0.0005470700000000, 0.0004482300000000 ] - [ -0.0005195200000000, -0.0002651300000000, 0.0007277900000000 ] - [ -0.0004629400000000, 0.0004418100000000, 0.0010655100000000 ] - [ 0.0002531800000000, -0.0003008500000000, 0.0006042100000000 ] - [ 0.0005885600000000, 0.0002976900000000, 0.0008641100000000 ] - [ -0.0002531100000000, -0.0003008000000000, 0.0006040400000000 ] - [ -0.0005886600000000, 0.0002980000000000, 0.0008636800000000 ] - [ 0.0005194900000000, -0.0002651000000000, 0.0007278800000000 ] - [ 0.0004598300000000, 0.0004403200000000, 0.0010575300000000 ]- atom: 57 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0015298500000000, -0.0097752700000000, 0.0088611400000000 ] - [ -0.0000003400000000, -0.0006186500000000, 0.0017617500000000 ] - [ 0.0000074100000000, -0.0013344400000000, 0.0031860500000000 ] - [ -0.0000310300000000, -0.0047091600000000, -0.0018311600000000 ] - [ 0.0907267300000000, 0.0390082500000000, -0.0888380600000000 ] - [ -0.0000019500000000, 0.0000891300000000, -0.0008925400000000 ] - [ 0.0016357300000000, 0.0074809300000000, 0.0121955800000000 ] - [ -0.0000215700000000, -0.0024076200000000, -0.0031548800000000 ] - [ 0.0485481700000000, 0.0333506800000000, -0.0536588500000000 ] - [ 0.0000011900000000, -0.0013612200000000, 0.0013782600000000 ] - [ -0.0004830100000000, -0.0029419800000000, 0.0042101300000000 ] - [ 0.0000041000000000, -0.0013423800000000, -0.0047714600000000 ] - [ -0.0002943300000000, 0.0042859200000000, -0.0043057500000000 ] - [ 0.0005541500000000, -0.0064926900000000, 0.0007531400000000 ] - [ 0.0004494200000000, -0.0012103400000000, -0.0056953400000000 ] - [ -0.0000020800000000, -0.0029173600000000, 0.0000340500000000 ] - [ 0.0000001100000000, -0.0005923000000000, 0.0018325000000000 ] - [ -0.0003392500000000, -0.0014082900000000, 0.0047482600000000 ] - [ 0.0000096000000000, -0.0022969600000000, 0.0006213700000000 ] - [ -0.0000016600000000, 0.0000736800000000, 0.0024796400000000 ] - [ 0.0000001300000000, -0.0005733900000000, 0.0014392700000000 ] - [ -0.0000018000000000, 0.0004251800000000, 0.0023547900000000 ] - [ -0.0000001700000000, -0.0000376600000000, 0.0016597900000000 ] - [ -0.0000002500000000, 0.0004924800000000, 0.0018085400000000 ] - [ 0.0000000300000000, -0.0003292900000000, 0.0015850100000000 ] - [ 0.0000055500000000, 0.0002296300000000, 0.0036303900000000 ] - [ 0.0000000700000000, -0.0004826800000000, 0.0019914700000000 ] - [ -0.0000001400000000, 0.0003810600000000, 0.0019036700000000 ] - [ -0.0000000300000000, 0.0003083900000000, 0.0008919500000000 ] - [ 0.0000000300000000, -0.0000566000000000, 0.0022540700000000 ] - [ -0.0000000400000000, -0.0000016500000000, 0.0021364900000000 ] - [ -0.0000001500000000, -0.0004998900000000, 0.0013685900000000 ] - [ -0.0001222700000000, 0.0056487300000000, 0.0002676100000000 ] - [ -0.0000006600000000, 0.0007962500000000, -0.0012167900000000 ] - [ -0.0001903700000000, 0.0026091100000000, 0.0101184100000000 ] - [ 0.0000100600000000, 0.0019211800000000, -0.0007626000000000 ] - [ 0.0000248400000000, 0.0014394800000000, -0.0001865300000000 ] - [ 0.0000049100000000, -0.0005445900000000, 0.0018825900000000 ] - [ -0.0019008500000000, -0.0007314000000000, 0.0025044000000000 ] - [ 0.0003564100000000, 0.0013884700000000, -0.0001215900000000 ] - [ -0.0001902500000000, 0.0014089500000000, 0.0002036100000000 ] - [ 0.0020440900000000, -0.0004334900000000, 0.0027209800000000 ] - [ 0.0005246600000000, 0.0003216800000000, -0.0008614900000000 ] - [ -0.0007503900000000, 0.0000286300000000, -0.0013354900000000 ] - [ 0.0007546800000000, 0.0000296300000000, -0.0013422700000000 ] - [ -0.0005245900000000, 0.0003218400000000, -0.0008616500000000 ] - [ 0.0147643100000000, 0.0157558700000000, -0.0177494000000000 ] - [ -0.0000001500000000, 0.0000586300000000, -0.0009283100000000 ] - [ 0.0000730900000000, 0.0013455500000000, -0.0030235400000000 ] - [ 0.0000065400000000, 0.0017335600000000, 0.0032930000000000 ] - [ 0.0159546300000000, -0.0023843000000000, -0.0236466400000000 ] - [ 0.0000051200000000, 0.0000605200000000, 0.0014541800000000 ] - [ -0.0000591500000000, -0.0047100900000000, -0.0001697600000000 ] - [ -0.0000896100000000, 0.0033439400000000, 0.0017382200000000 ] - [ 0.0067582500000000, 0.0100757900000000, 0.0022868900000000 ] - [ 0.0000403900000000, -0.0008350100000000, 0.0002859800000000 ] - [ -0.1916250300000000, -0.0910364700000000, 0.1444389900000000 ] - [ -0.0000877500000000, 0.0002612600000000, 0.0001199200000000 ] - [ -0.0015803800000000, 0.0002652500000000, -0.0024286500000000 ] - [ 0.0011760700000000, 0.0010277900000000, 0.0015612700000000 ] - [ 0.0024292700000000, 0.0003594900000000, -0.0037742800000000 ] - [ -0.0011838500000000, 0.0010344800000000, 0.0015801200000000 ] - [ 0.0101735400000000, -0.0031440200000000, 0.0164829700000000 ] - [ 0.0000902900000000, 0.0002645900000000, 0.0001207400000000 ] - [ 0.0000002500000000, 0.0003018900000000, -0.0003161200000000 ] - [ 0.0000598400000000, 0.0021945100000000, -0.0013245100000000 ] - [ 0.0000006500000000, -0.0001208500000000, -0.0009719600000000 ] - [ -0.0000007900000000, 0.0010200900000000, -0.0010814800000000 ] - [ -0.0000005200000000, -0.0002984100000000, -0.0005588500000000 ] - [ 0.0000006500000000, 0.0001479800000000, -0.0010383300000000 ] - [ 0.0003490400000000, -0.0000485900000000, -0.0009023000000000 ] - [ 0.0006836400000000, 0.0000823400000000, -0.0007903100000000 ] - [ -0.0006834600000000, 0.0000823700000000, -0.0007899800000000 ] - [ -0.0003491300000000, -0.0000485600000000, -0.0009024600000000 ] - [ 0.0022533700000000, 0.0016822900000000, -0.0038730700000000 ] - [ -0.0000427600000000, 0.0008970900000000, 0.0001274800000000 ] - [ 0.0000336500000000, 0.0008871900000000, 0.0001401200000000 ] - [ -0.0015420000000000, 0.0014229300000000, -0.0027105800000000 ] - [ 0.0000000900000000, 0.0005707900000000, -0.0015663800000000 ] - [ 0.0000549400000000, -0.0006695300000000, -0.0029377600000000 ] - [ -0.0000023600000000, 0.0007080800000000, -0.0012263800000000 ] - [ 0.0000003900000000, -0.0005873700000000, -0.0018691700000000 ] - [ 0.0000000000000000, -0.0002116100000000, -0.0012636300000000 ] - [ 0.0000004000000000, 0.0002763400000000, -0.0016776200000000 ] - [ -0.0000002000000000, 0.0003166400000000, -0.0007844300000000 ] - [ 0.0000003000000000, -0.0002765700000000, -0.0004083300000000 ] - [ 0.0000003100000000, 0.0003423000000000, -0.0003759800000000 ] - [ 0.0000001200000000, -0.0007438200000000, -0.0009661800000000 ] - [ 0.0002935500000000, 0.0003066900000000, -0.0007415500000000 ] - [ 0.0006893400000000, -0.0004007600000000, -0.0010536500000000 ] - [ -0.0004800100000000, 0.0002603400000000, -0.0005924600000000 ] - [ -0.0003626000000000, -0.0003390000000000, -0.0008766800000000 ] - [ 0.0004799700000000, 0.0002602100000000, -0.0005923800000000 ] - [ 0.0003626900000000, -0.0003392900000000, -0.0008763400000000 ] - [ -0.0002934800000000, 0.0003066900000000, -0.0007414700000000 ] - [ -0.0006862000000000, -0.0003992300000000, -0.0010459600000000 ]