# Fileset [phonopy_params.yaml.xz](https://mdr.nims.go.jp/filesets/a95a34ef-d03c-4c38-96ed-b980ebf012d0/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 Ti3H2O7 / Cm (8) / materials id 626557](https://mdr.nims.go.jp/datasets/315120e6-ad49-494d-ac6c-f6b59c73905c) ## 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: "Cm" number: 8 Hall_symbol: "C -2y"primitive_matrix:- [ 0.500000000000000, 0.500000000000000, 0.000000000000000 ]- [ -0.500000000000000, 0.500000000000000, 0.000000000000000 ]- [ 0.000000000000000, 0.000000000000000, 1.000000000000000 ]supercell_matrix:- [ 1, 0, 0 ]- [ 0, 3, 0 ]- [ 0, 0, 1 ]primitive_cell: lattice: - [ 7.947918725000000, -1.875030470000000, 0.004578365000000 ] # a - [ 7.947918725000000, 1.875030470000000, 0.004578365000000 ] # b - [ -1.881748950000000, 0.000000000000000, 8.936621860000001 ] # c points: - symbol: Ti # 1 coordinates: [ 0.231725270000000, 0.231725270000000, 0.214832560000000 ] mass: 47.867000 - symbol: Ti # 2 coordinates: [ 0.770125280000000, 0.770125280000000, 0.783723780000000 ] mass: 47.867000 - symbol: Ti # 3 coordinates: [ 0.172930360000000, 0.172930360000000, 0.510018690000000 ] mass: 47.867000 - symbol: Ti # 4 coordinates: [ 0.831354160000000, 0.831354160000000, 0.481753120000000 ] mass: 47.867000 - symbol: Ti # 5 coordinates: [ 0.122537450000000, 0.122537450000000, 0.828594010000000 ] mass: 47.867000 - symbol: Ti # 6 coordinates: [ 0.882528040000000, 0.882528040000000, 0.175554950000000 ] mass: 47.867000 - symbol: H # 7 coordinates: [ 0.948640090000000, 0.948640090000000, 0.787978680000000 ] mass: 1.007940 - symbol: H # 8 coordinates: [ 0.014196560000000, 0.014196560000000, 0.524096580000000 ] mass: 1.007940 - symbol: H # 9 coordinates: [ 0.999070300000000, 0.999070300000000, 0.978415630000000 ] mass: 1.007940 - symbol: H # 10 coordinates: [ 0.047207590000000, 0.047207590000000, 0.203202010000000 ] mass: 1.007940 - symbol: O # 11 coordinates: [ 0.168767900000000, 0.168767900000000, 0.029179770000000 ] mass: 15.999400 - symbol: O # 12 coordinates: [ 0.826355040000000, 0.826355040000000, 0.969611060000000 ] mass: 15.999400 - symbol: O # 13 coordinates: [ 0.133737000000000, 0.133737000000000, 0.311535060000000 ] mass: 15.999400 - symbol: O # 14 coordinates: [ 0.866195870000000, 0.866195870000000, 0.687004870000000 ] mass: 15.999400 - symbol: O # 15 coordinates: [ 0.073262310000000, 0.073262310000000, 0.594019230000000 ] mass: 15.999400 - symbol: O # 16 coordinates: [ 0.924222250000000, 0.924222250000000, 0.399244260000000 ] mass: 15.999400 - symbol: O # 17 coordinates: [ 0.007765220000000, 0.007765220000000, 0.864636500000000 ] mass: 15.999400 - symbol: O # 18 coordinates: [ 0.989349520000000, 0.989349520000000, 0.128937080000000 ] mass: 15.999400 - symbol: O # 19 coordinates: [ 0.351180130000000, 0.351180130000000, 0.182170570000000 ] mass: 15.999400 - symbol: O # 20 coordinates: [ 0.646781730000000, 0.646781730000000, 0.814787580000000 ] mass: 15.999400 - symbol: O # 21 coordinates: [ 0.294507920000000, 0.294507920000000, 0.456028710000000 ] mass: 15.999400 - symbol: O # 22 coordinates: [ 0.704974760000000, 0.704974760000000, 0.540689990000000 ] mass: 15.999400 - symbol: O # 23 coordinates: [ 0.235188380000000, 0.235188380000000, 0.744867860000000 ] mass: 15.999400 - symbol: O # 24 coordinates: [ 0.760823800000000, 0.760823800000000, 0.254402440000000 ] mass: 15.999400 reciprocal_lattice: # without 2pi - [ 0.062901921473871, -0.266662333225977, 0.013245007626007 ] # a* - [ 0.062901921473871, 0.266662333225977, 0.013245007626007 ] # b* - [ -0.000064451189772, 0.000000000000000, 0.111885535127848 ] # c*unit_cell: lattice: - [ 15.895837450000000, 0.000000000000000, 0.009156730000000 ] # a - [ 0.000000000000000, 3.750060940000000, 0.000000000000000 ] # b - [ -1.881748950000000, 0.000000000000000, 8.936621860000001 ] # c points: - symbol: Ti # 1 coordinates: [ 0.231725270000000, 0.000000000000000, 0.214832560000000 ] mass: 47.867000 reduced_to: 1 - symbol: Ti # 2 coordinates: [ 0.270125280000000, 0.500000000000000, 0.783723780000000 ] mass: 47.867000 reduced_to: 2 - symbol: Ti # 3 coordinates: [ 0.172930360000000, 0.000000000000000, 0.510018690000000 ] mass: 47.867000 reduced_to: 3 - symbol: Ti # 4 coordinates: [ 0.331354160000000, 0.500000000000000, 0.481753120000000 ] mass: 47.867000 reduced_to: 4 - symbol: Ti # 5 coordinates: [ 0.122537450000000, 0.000000000000000, 0.828594010000000 ] mass: 47.867000 reduced_to: 5 - symbol: Ti # 6 coordinates: [ 0.382528040000000, 0.500000000000000, 0.175554950000000 ] mass: 47.867000 reduced_to: 6 - symbol: Ti # 7 coordinates: [ 0.731725270000000, 0.500000000000000, 0.214832560000000 ] mass: 47.867000 reduced_to: 1 - symbol: Ti # 8 coordinates: [ 0.770125280000000, 0.000000000000000, 0.783723780000000 ] mass: 47.867000 reduced_to: 2 - symbol: Ti # 9 coordinates: [ 0.672930360000000, 0.500000000000000, 0.510018690000000 ] mass: 47.867000 reduced_to: 3 - symbol: Ti # 10 coordinates: [ 0.831354160000000, 0.000000000000000, 0.481753120000000 ] mass: 47.867000 reduced_to: 4 - symbol: Ti # 11 coordinates: [ 0.622537450000000, 0.500000000000000, 0.828594010000000 ] mass: 47.867000 reduced_to: 5 - symbol: Ti # 12 coordinates: [ 0.882528040000000, 0.000000000000000, 0.175554950000000 ] mass: 47.867000 reduced_to: 6 - symbol: H # 13 coordinates: [ 0.448640090000000, 0.500000000000000, 0.787978680000000 ] mass: 1.007940 reduced_to: 13 - symbol: H # 14 coordinates: [ 0.014196560000000, 0.000000000000000, 0.524096580000000 ] mass: 1.007940 reduced_to: 14 - symbol: H # 15 coordinates: [ 0.999070300000000, 0.000000000000000, 0.978415630000000 ] mass: 1.007940 reduced_to: 15 - symbol: H # 16 coordinates: [ 0.047207590000000, 0.000000000000000, 0.203202010000000 ] mass: 1.007940 reduced_to: 16 - symbol: H # 17 coordinates: [ 0.948640090000000, 0.000000000000000, 0.787978680000000 ] mass: 1.007940 reduced_to: 13 - symbol: H # 18 coordinates: [ 0.514196560000000, 0.500000000000000, 0.524096580000000 ] mass: 1.007940 reduced_to: 14 - symbol: H # 19 coordinates: [ 0.499070300000000, 0.500000000000000, 0.978415630000000 ] mass: 1.007940 reduced_to: 15 - symbol: H # 20 coordinates: [ 0.547207590000000, 0.500000000000000, 0.203202010000000 ] mass: 1.007940 reduced_to: 16 - symbol: O # 21 coordinates: [ 0.168767900000000, 0.000000000000000, 0.029179770000000 ] mass: 15.999400 reduced_to: 21 - symbol: O # 22 coordinates: [ 0.326355040000000, 0.500000000000000, 0.969611060000000 ] mass: 15.999400 reduced_to: 22 - symbol: O # 23 coordinates: [ 0.133737000000000, 0.000000000000000, 0.311535060000000 ] mass: 15.999400 reduced_to: 23 - symbol: O # 24 coordinates: [ 0.366195870000000, 0.500000000000000, 0.687004870000000 ] mass: 15.999400 reduced_to: 24 - symbol: O # 25 coordinates: [ 0.073262310000000, 0.000000000000000, 0.594019230000000 ] mass: 15.999400 reduced_to: 25 - symbol: O # 26 coordinates: [ 0.424222250000000, 0.500000000000000, 0.399244260000000 ] mass: 15.999400 reduced_to: 26 - symbol: O # 27 coordinates: [ 0.007765220000000, 0.000000000000000, 0.864636500000000 ] mass: 15.999400 reduced_to: 27 - symbol: O # 28 coordinates: [ 0.489349520000000, 0.500000000000000, 0.128937080000000 ] mass: 15.999400 reduced_to: 28 - symbol: O # 29 coordinates: [ 0.351180130000000, 0.000000000000000, 0.182170570000000 ] mass: 15.999400 reduced_to: 29 - symbol: O # 30 coordinates: [ 0.146781730000000, 0.500000000000000, 0.814787580000000 ] mass: 15.999400 reduced_to: 30 - symbol: O # 31 coordinates: [ 0.294507920000000, 0.000000000000000, 0.456028710000000 ] mass: 15.999400 reduced_to: 31 - symbol: O # 32 coordinates: [ 0.204974760000000, 0.500000000000000, 0.540689990000000 ] mass: 15.999400 reduced_to: 32 - symbol: O # 33 coordinates: [ 0.235188380000000, 0.000000000000000, 0.744867860000000 ] mass: 15.999400 reduced_to: 33 - symbol: O # 34 coordinates: [ 0.260823800000000, 0.500000000000000, 0.254402440000000 ] mass: 15.999400 reduced_to: 34 - symbol: O # 35 coordinates: [ 0.668767900000000, 0.500000000000000, 0.029179770000000 ] mass: 15.999400 reduced_to: 21 - symbol: O # 36 coordinates: [ 0.826355040000000, 0.000000000000000, 0.969611060000000 ] mass: 15.999400 reduced_to: 22 - symbol: O # 37 coordinates: [ 0.633737000000000, 0.500000000000000, 0.311535060000000 ] mass: 15.999400 reduced_to: 23 - symbol: O # 38 coordinates: [ 0.866195870000000, 0.000000000000000, 0.687004870000000 ] mass: 15.999400 reduced_to: 24 - symbol: O # 39 coordinates: [ 0.573262310000000, 0.500000000000000, 0.594019230000000 ] mass: 15.999400 reduced_to: 25 - symbol: O # 40 coordinates: [ 0.924222250000000, 0.000000000000000, 0.399244260000000 ] mass: 15.999400 reduced_to: 26 - symbol: O # 41 coordinates: [ 0.507765220000000, 0.500000000000000, 0.864636500000000 ] mass: 15.999400 reduced_to: 27 - symbol: O # 42 coordinates: [ 0.989349520000000, 0.000000000000000, 0.128937080000000 ] mass: 15.999400 reduced_to: 28 - symbol: O # 43 coordinates: [ 0.851180130000000, 0.500000000000000, 0.182170570000000 ] mass: 15.999400 reduced_to: 29 - symbol: O # 44 coordinates: [ 0.646781730000000, 0.000000000000000, 0.814787580000000 ] mass: 15.999400 reduced_to: 30 - symbol: O # 45 coordinates: [ 0.794507920000000, 0.500000000000000, 0.456028710000000 ] mass: 15.999400 reduced_to: 31 - symbol: O # 46 coordinates: [ 0.704974760000000, 0.000000000000000, 0.540689990000000 ] mass: 15.999400 reduced_to: 32 - symbol: O # 47 coordinates: [ 0.735188380000000, 0.500000000000000, 0.744867860000000 ] mass: 15.999400 reduced_to: 33 - symbol: O # 48 coordinates: [ 0.760823800000000, 0.000000000000000, 0.254402440000000 ] mass: 15.999400 reduced_to: 34supercell: lattice: - [ 15.895837450000000, 0.000000000000000, 0.009156730000000 ] # a - [ 0.000000000000000, 11.250182819999999, 0.000000000000000 ] # b - [ -1.881748950000000, 0.000000000000000, 8.936621860000001 ] # c points: - symbol: Ti # 1 coordinates: [ 0.231725270000000, 0.000000000000000, 0.214832560000000 ] mass: 47.867000 reduced_to: 1 - symbol: Ti # 2 coordinates: [ 0.231725270000000, 0.333333333333333, 0.214832560000000 ] mass: 47.867000 reduced_to: 1 - symbol: Ti # 3 coordinates: [ 0.231725270000000, 0.666666666666667, 0.214832560000000 ] mass: 47.867000 reduced_to: 1 - symbol: Ti # 4 coordinates: [ 0.270125280000000, 0.166666666666667, 0.783723780000000 ] mass: 47.867000 reduced_to: 4 - symbol: Ti # 5 coordinates: [ 0.270125280000000, 0.500000000000000, 0.783723780000000 ] mass: 47.867000 reduced_to: 4 - symbol: Ti # 6 coordinates: [ 0.270125280000000, 0.833333333333333, 0.783723780000000 ] mass: 47.867000 reduced_to: 4 - symbol: Ti # 7 coordinates: [ 0.172930360000000, 0.000000000000000, 0.510018690000000 ] mass: 47.867000 reduced_to: 7 - symbol: Ti # 8 coordinates: [ 0.172930360000000, 0.333333333333333, 0.510018690000000 ] mass: 47.867000 reduced_to: 7 - symbol: Ti # 9 coordinates: [ 0.172930360000000, 0.666666666666667, 0.510018690000000 ] mass: 47.867000 reduced_to: 7 - symbol: Ti # 10 coordinates: [ 0.331354160000000, 0.166666666666667, 0.481753120000000 ] mass: 47.867000 reduced_to: 10 - symbol: Ti # 11 coordinates: [ 0.331354160000000, 0.500000000000000, 0.481753120000000 ] mass: 47.867000 reduced_to: 10 - symbol: Ti # 12 coordinates: [ 0.331354160000000, 0.833333333333333, 0.481753120000000 ] mass: 47.867000 reduced_to: 10 - symbol: Ti # 13 coordinates: [ 0.122537450000000, 0.000000000000000, 0.828594010000000 ] mass: 47.867000 reduced_to: 13 - symbol: Ti # 14 coordinates: [ 0.122537450000000, 0.333333333333333, 0.828594010000000 ] mass: 47.867000 reduced_to: 13 - symbol: Ti # 15 coordinates: [ 0.122537450000000, 0.666666666666667, 0.828594010000000 ] mass: 47.867000 reduced_to: 13 - symbol: Ti # 16 coordinates: [ 0.382528040000000, 0.166666666666667, 0.175554950000000 ] mass: 47.867000 reduced_to: 16 - symbol: Ti # 17 coordinates: [ 0.382528040000000, 0.500000000000000, 0.175554950000000 ] mass: 47.867000 reduced_to: 16 - symbol: Ti # 18 coordinates: [ 0.382528040000000, 0.833333333333333, 0.175554950000000 ] mass: 47.867000 reduced_to: 16 - symbol: Ti # 19 coordinates: [ 0.731725270000000, 0.166666666666667, 0.214832560000000 ] mass: 47.867000 reduced_to: 1 - symbol: Ti # 20 coordinates: [ 0.731725270000000, 0.500000000000000, 0.214832560000000 ] mass: 47.867000 reduced_to: 1 - symbol: Ti # 21 coordinates: [ 0.731725270000000, 0.833333333333333, 0.214832560000000 ] mass: 47.867000 reduced_to: 1 - symbol: Ti # 22 coordinates: [ 0.770125280000000, 0.000000000000000, 0.783723780000000 ] mass: 47.867000 reduced_to: 4 - symbol: Ti # 23 coordinates: [ 0.770125280000000, 0.333333333333333, 0.783723780000000 ] mass: 47.867000 reduced_to: 4 - symbol: Ti # 24 coordinates: [ 0.770125280000000, 0.666666666666667, 0.783723780000000 ] mass: 47.867000 reduced_to: 4 - symbol: Ti # 25 coordinates: [ 0.672930360000000, 0.166666666666667, 0.510018690000000 ] mass: 47.867000 reduced_to: 7 - symbol: Ti # 26 coordinates: [ 0.672930360000000, 0.500000000000000, 0.510018690000000 ] mass: 47.867000 reduced_to: 7 - symbol: Ti # 27 coordinates: [ 0.672930360000000, 0.833333333333333, 0.510018690000000 ] mass: 47.867000 reduced_to: 7 - symbol: Ti # 28 coordinates: [ 0.831354160000000, 0.000000000000000, 0.481753120000000 ] mass: 47.867000 reduced_to: 10 - symbol: Ti # 29 coordinates: [ 0.831354160000000, 0.333333333333333, 0.481753120000000 ] mass: 47.867000 reduced_to: 10 - symbol: Ti # 30 coordinates: [ 0.831354160000000, 0.666666666666667, 0.481753120000000 ] mass: 47.867000 reduced_to: 10 - symbol: Ti # 31 coordinates: [ 0.622537450000000, 0.166666666666667, 0.828594010000000 ] mass: 47.867000 reduced_to: 13 - symbol: Ti # 32 coordinates: [ 0.622537450000000, 0.500000000000000, 0.828594010000000 ] mass: 47.867000 reduced_to: 13 - symbol: Ti # 33 coordinates: [ 0.622537450000000, 0.833333333333333, 0.828594010000000 ] mass: 47.867000 reduced_to: 13 - symbol: Ti # 34 coordinates: [ 0.882528040000000, 0.000000000000000, 0.175554950000000 ] mass: 47.867000 reduced_to: 16 - symbol: Ti # 35 coordinates: [ 0.882528040000000, 0.333333333333333, 0.175554950000000 ] mass: 47.867000 reduced_to: 16 - symbol: Ti # 36 coordinates: [ 0.882528040000000, 0.666666666666667, 0.175554950000000 ] mass: 47.867000 reduced_to: 16 - symbol: H # 37 coordinates: [ 0.448640090000000, 0.166666666666667, 0.787978680000000 ] mass: 1.007940 reduced_to: 37 - symbol: H # 38 coordinates: [ 0.448640090000000, 0.500000000000000, 0.787978680000000 ] mass: 1.007940 reduced_to: 37 - symbol: H # 39 coordinates: [ 0.448640090000000, 0.833333333333333, 0.787978680000000 ] mass: 1.007940 reduced_to: 37 - symbol: H # 40 coordinates: [ 0.014196560000000, 0.000000000000000, 0.524096580000000 ] mass: 1.007940 reduced_to: 40 - symbol: H # 41 coordinates: [ 0.014196560000000, 0.333333333333333, 0.524096580000000 ] mass: 1.007940 reduced_to: 40 - symbol: H # 42 coordinates: [ 0.014196560000000, 0.666666666666667, 0.524096580000000 ] mass: 1.007940 reduced_to: 40 - symbol: H # 43 coordinates: [ 0.999070300000000, 0.000000000000000, 0.978415630000000 ] mass: 1.007940 reduced_to: 43 - symbol: H # 44 coordinates: [ 0.999070300000000, 0.333333333333333, 0.978415630000000 ] mass: 1.007940 reduced_to: 43 - symbol: H # 45 coordinates: [ 0.999070300000000, 0.666666666666667, 0.978415630000000 ] mass: 1.007940 reduced_to: 43 - symbol: H # 46 coordinates: [ 0.047207590000000, 0.000000000000000, 0.203202010000000 ] mass: 1.007940 reduced_to: 46 - symbol: H # 47 coordinates: [ 0.047207590000000, 0.333333333333333, 0.203202010000000 ] mass: 1.007940 reduced_to: 46 - symbol: H # 48 coordinates: [ 0.047207590000000, 0.666666666666667, 0.203202010000000 ] mass: 1.007940 reduced_to: 46 - symbol: H # 49 coordinates: [ 0.948640090000000, 0.000000000000000, 0.787978680000000 ] mass: 1.007940 reduced_to: 37 - symbol: H # 50 coordinates: [ 0.948640090000000, 0.333333333333333, 0.787978680000000 ] mass: 1.007940 reduced_to: 37 - symbol: H # 51 coordinates: [ 0.948640090000000, 0.666666666666667, 0.787978680000000 ] mass: 1.007940 reduced_to: 37 - symbol: H # 52 coordinates: [ 0.514196560000000, 0.166666666666667, 0.524096580000000 ] mass: 1.007940 reduced_to: 40 - symbol: H # 53 coordinates: [ 0.514196560000000, 0.500000000000000, 0.524096580000000 ] mass: 1.007940 reduced_to: 40 - symbol: H # 54 coordinates: [ 0.514196560000000, 0.833333333333333, 0.524096580000000 ] mass: 1.007940 reduced_to: 40 - symbol: H # 55 coordinates: [ 0.499070300000000, 0.166666666666667, 0.978415630000000 ] mass: 1.007940 reduced_to: 43 - symbol: H # 56 coordinates: [ 0.499070300000000, 0.500000000000000, 0.978415630000000 ] mass: 1.007940 reduced_to: 43 - symbol: H # 57 coordinates: [ 0.499070300000000, 0.833333333333333, 0.978415630000000 ] mass: 1.007940 reduced_to: 43 - symbol: H # 58 coordinates: [ 0.547207590000000, 0.166666666666667, 0.203202010000000 ] mass: 1.007940 reduced_to: 46 - symbol: H # 59 coordinates: [ 0.547207590000000, 0.500000000000000, 0.203202010000000 ] mass: 1.007940 reduced_to: 46 - symbol: H # 60 coordinates: [ 0.547207590000000, 0.833333333333333, 0.203202010000000 ] mass: 1.007940 reduced_to: 46 - symbol: O # 61 coordinates: [ 0.168767900000000, 0.000000000000000, 0.029179770000000 ] mass: 15.999400 reduced_to: 61 - symbol: O # 62 coordinates: [ 0.168767900000000, 0.333333333333333, 0.029179770000000 ] mass: 15.999400 reduced_to: 61 - symbol: O # 63 coordinates: [ 0.168767900000000, 0.666666666666667, 0.029179770000000 ] mass: 15.999400 reduced_to: 61 - symbol: O # 64 coordinates: [ 0.326355040000000, 0.166666666666667, 0.969611060000000 ] mass: 15.999400 reduced_to: 64 - symbol: O # 65 coordinates: [ 0.326355040000000, 0.500000000000000, 0.969611060000000 ] mass: 15.999400 reduced_to: 64 - symbol: O # 66 coordinates: [ 0.326355040000000, 0.833333333333333, 0.969611060000000 ] mass: 15.999400 reduced_to: 64 - symbol: O # 67 coordinates: [ 0.133737000000000, 0.000000000000000, 0.311535060000000 ] mass: 15.999400 reduced_to: 67 - symbol: O # 68 coordinates: [ 0.133737000000000, 0.333333333333333, 0.311535060000000 ] mass: 15.999400 reduced_to: 67 - symbol: O # 69 coordinates: [ 0.133737000000000, 0.666666666666667, 0.311535060000000 ] mass: 15.999400 reduced_to: 67 - symbol: O # 70 coordinates: [ 0.366195870000000, 0.166666666666667, 0.687004870000000 ] mass: 15.999400 reduced_to: 70 - symbol: O # 71 coordinates: [ 0.366195870000000, 0.500000000000000, 0.687004870000000 ] mass: 15.999400 reduced_to: 70 - symbol: O # 72 coordinates: [ 0.366195870000000, 0.833333333333333, 0.687004870000000 ] mass: 15.999400 reduced_to: 70 - symbol: O # 73 coordinates: [ 0.073262310000000, 0.000000000000000, 0.594019230000000 ] mass: 15.999400 reduced_to: 73 - symbol: O # 74 coordinates: [ 0.073262310000000, 0.333333333333333, 0.594019230000000 ] mass: 15.999400 reduced_to: 73 - symbol: O # 75 coordinates: [ 0.073262310000000, 0.666666666666667, 0.594019230000000 ] mass: 15.999400 reduced_to: 73 - symbol: O # 76 coordinates: [ 0.424222250000000, 0.166666666666667, 0.399244260000000 ] mass: 15.999400 reduced_to: 76 - symbol: O # 77 coordinates: [ 0.424222250000000, 0.500000000000000, 0.399244260000000 ] mass: 15.999400 reduced_to: 76 - symbol: O # 78 coordinates: [ 0.424222250000000, 0.833333333333333, 0.399244260000000 ] mass: 15.999400 reduced_to: 76 - symbol: O # 79 coordinates: [ 0.007765220000000, 0.000000000000000, 0.864636500000000 ] mass: 15.999400 reduced_to: 79 - symbol: O # 80 coordinates: [ 0.007765220000000, 0.333333333333333, 0.864636500000000 ] mass: 15.999400 reduced_to: 79 - symbol: O # 81 coordinates: [ 0.007765220000000, 0.666666666666667, 0.864636500000000 ] mass: 15.999400 reduced_to: 79 - symbol: O # 82 coordinates: [ 0.489349520000000, 0.166666666666667, 0.128937080000000 ] mass: 15.999400 reduced_to: 82 - symbol: O # 83 coordinates: [ 0.489349520000000, 0.500000000000000, 0.128937080000000 ] mass: 15.999400 reduced_to: 82 - symbol: O # 84 coordinates: [ 0.489349520000000, 0.833333333333333, 0.128937080000000 ] mass: 15.999400 reduced_to: 82 - symbol: O # 85 coordinates: [ 0.351180130000000, 0.000000000000000, 0.182170570000000 ] mass: 15.999400 reduced_to: 85 - symbol: O # 86 coordinates: [ 0.351180130000000, 0.333333333333333, 0.182170570000000 ] mass: 15.999400 reduced_to: 85 - symbol: O # 87 coordinates: [ 0.351180130000000, 0.666666666666667, 0.182170570000000 ] mass: 15.999400 reduced_to: 85 - symbol: O # 88 coordinates: [ 0.146781730000000, 0.166666666666667, 0.814787580000000 ] mass: 15.999400 reduced_to: 88 - symbol: O # 89 coordinates: [ 0.146781730000000, 0.500000000000000, 0.814787580000000 ] mass: 15.999400 reduced_to: 88 - symbol: O # 90 coordinates: [ 0.146781730000000, 0.833333333333333, 0.814787580000000 ] mass: 15.999400 reduced_to: 88 - symbol: O # 91 coordinates: [ 0.294507920000000, 0.000000000000000, 0.456028710000000 ] mass: 15.999400 reduced_to: 91 - symbol: O # 92 coordinates: [ 0.294507920000000, 0.333333333333333, 0.456028710000000 ] mass: 15.999400 reduced_to: 91 - symbol: O # 93 coordinates: [ 0.294507920000000, 0.666666666666667, 0.456028710000000 ] mass: 15.999400 reduced_to: 91 - symbol: O # 94 coordinates: [ 0.204974760000000, 0.166666666666667, 0.540689990000000 ] mass: 15.999400 reduced_to: 94 - symbol: O # 95 coordinates: [ 0.204974760000000, 0.500000000000000, 0.540689990000000 ] mass: 15.999400 reduced_to: 94 - symbol: O # 96 coordinates: [ 0.204974760000000, 0.833333333333333, 0.540689990000000 ] mass: 15.999400 reduced_to: 94 - symbol: O # 97 coordinates: [ 0.235188380000000, 0.000000000000000, 0.744867860000000 ] mass: 15.999400 reduced_to: 97 - symbol: O # 98 coordinates: [ 0.235188380000000, 0.333333333333333, 0.744867860000000 ] mass: 15.999400 reduced_to: 97 - symbol: O # 99 coordinates: [ 0.235188380000000, 0.666666666666667, 0.744867860000000 ] mass: 15.999400 reduced_to: 97 - symbol: O # 100 coordinates: [ 0.260823800000000, 0.166666666666667, 0.254402440000000 ] mass: 15.999400 reduced_to: 100 - symbol: O # 101 coordinates: [ 0.260823800000000, 0.500000000000000, 0.254402440000000 ] mass: 15.999400 reduced_to: 100 - symbol: O # 102 coordinates: [ 0.260823800000000, 0.833333333333333, 0.254402440000000 ] mass: 15.999400 reduced_to: 100 - symbol: O # 103 coordinates: [ 0.668767900000000, 0.166666666666667, 0.029179770000000 ] mass: 15.999400 reduced_to: 61 - symbol: O # 104 coordinates: [ 0.668767900000000, 0.500000000000000, 0.029179770000000 ] mass: 15.999400 reduced_to: 61 - symbol: O # 105 coordinates: [ 0.668767900000000, 0.833333333333333, 0.029179770000000 ] mass: 15.999400 reduced_to: 61 - symbol: O # 106 coordinates: [ 0.826355040000000, 0.000000000000000, 0.969611060000000 ] mass: 15.999400 reduced_to: 64 - symbol: O # 107 coordinates: [ 0.826355040000000, 0.333333333333333, 0.969611060000000 ] mass: 15.999400 reduced_to: 64 - symbol: O # 108 coordinates: [ 0.826355040000000, 0.666666666666667, 0.969611060000000 ] mass: 15.999400 reduced_to: 64 - symbol: O # 109 coordinates: [ 0.633737000000000, 0.166666666666667, 0.311535060000000 ] mass: 15.999400 reduced_to: 67 - symbol: O # 110 coordinates: [ 0.633737000000000, 0.500000000000000, 0.311535060000000 ] mass: 15.999400 reduced_to: 67 - symbol: O # 111 coordinates: [ 0.633737000000000, 0.833333333333333, 0.311535060000000 ] mass: 15.999400 reduced_to: 67 - symbol: O # 112 coordinates: [ 0.866195870000000, 0.000000000000000, 0.687004870000000 ] mass: 15.999400 reduced_to: 70 - symbol: O # 113 coordinates: [ 0.866195870000000, 0.333333333333333, 0.687004870000000 ] mass: 15.999400 reduced_to: 70 - symbol: O # 114 coordinates: [ 0.866195870000000, 0.666666666666667, 0.687004870000000 ] mass: 15.999400 reduced_to: 70 - symbol: O # 115 coordinates: [ 0.573262310000000, 0.166666666666667, 0.594019230000000 ] mass: 15.999400 reduced_to: 73 - symbol: O # 116 coordinates: [ 0.573262310000000, 0.500000000000000, 0.594019230000000 ] mass: 15.999400 reduced_to: 73 - symbol: O # 117 coordinates: [ 0.573262310000000, 0.833333333333333, 0.594019230000000 ] mass: 15.999400 reduced_to: 73 - symbol: O # 118 coordinates: [ 0.924222250000000, 0.000000000000000, 0.399244260000000 ] mass: 15.999400 reduced_to: 76 - symbol: O # 119 coordinates: [ 0.924222250000000, 0.333333333333333, 0.399244260000000 ] mass: 15.999400 reduced_to: 76 - symbol: O # 120 coordinates: [ 0.924222250000000, 0.666666666666667, 0.399244260000000 ] mass: 15.999400 reduced_to: 76 - symbol: O # 121 coordinates: [ 0.507765220000000, 0.166666666666667, 0.864636500000000 ] mass: 15.999400 reduced_to: 79 - symbol: O # 122 coordinates: [ 0.507765220000000, 0.500000000000000, 0.864636500000000 ] mass: 15.999400 reduced_to: 79 - symbol: O # 123 coordinates: [ 0.507765220000000, 0.833333333333333, 0.864636500000000 ] mass: 15.999400 reduced_to: 79 - symbol: O # 124 coordinates: [ 0.989349520000000, 0.000000000000000, 0.128937080000000 ] mass: 15.999400 reduced_to: 82 - symbol: O # 125 coordinates: [ 0.989349520000000, 0.333333333333333, 0.128937080000000 ] mass: 15.999400 reduced_to: 82 - symbol: O # 126 coordinates: [ 0.989349520000000, 0.666666666666667, 0.128937080000000 ] mass: 15.999400 reduced_to: 82 - symbol: O # 127 coordinates: [ 0.851180130000000, 0.166666666666667, 0.182170570000000 ] mass: 15.999400 reduced_to: 85 - symbol: O # 128 coordinates: [ 0.851180130000000, 0.500000000000000, 0.182170570000000 ] mass: 15.999400 reduced_to: 85 - symbol: O # 129 coordinates: [ 0.851180130000000, 0.833333333333333, 0.182170570000000 ] mass: 15.999400 reduced_to: 85 - symbol: O # 130 coordinates: [ 0.646781730000000, 0.000000000000000, 0.814787580000000 ] mass: 15.999400 reduced_to: 88 - symbol: O # 131 coordinates: [ 0.646781730000000, 0.333333333333333, 0.814787580000000 ] mass: 15.999400 reduced_to: 88 - symbol: O # 132 coordinates: [ 0.646781730000000, 0.666666666666667, 0.814787580000000 ] mass: 15.999400 reduced_to: 88 - symbol: O # 133 coordinates: [ 0.794507920000000, 0.166666666666667, 0.456028710000000 ] mass: 15.999400 reduced_to: 91 - symbol: O # 134 coordinates: [ 0.794507920000000, 0.500000000000000, 0.456028710000000 ] mass: 15.999400 reduced_to: 91 - symbol: O # 135 coordinates: [ 0.794507920000000, 0.833333333333333, 0.456028710000000 ] mass: 15.999400 reduced_to: 91 - symbol: O # 136 coordinates: [ 0.704974760000000, 0.000000000000000, 0.540689990000000 ] mass: 15.999400 reduced_to: 94 - symbol: O # 137 coordinates: [ 0.704974760000000, 0.333333333333333, 0.540689990000000 ] mass: 15.999400 reduced_to: 94 - symbol: O # 138 coordinates: [ 0.704974760000000, 0.666666666666667, 0.540689990000000 ] mass: 15.999400 reduced_to: 94 - symbol: O # 139 coordinates: [ 0.735188380000000, 0.166666666666667, 0.744867860000000 ] mass: 15.999400 reduced_to: 97 - symbol: O # 140 coordinates: [ 0.735188380000000, 0.500000000000000, 0.744867860000000 ] mass: 15.999400 reduced_to: 97 - symbol: O # 141 coordinates: [ 0.735188380000000, 0.833333333333333, 0.744867860000000 ] mass: 15.999400 reduced_to: 97 - symbol: O # 142 coordinates: [ 0.760823800000000, 0.000000000000000, 0.254402440000000 ] mass: 15.999400 reduced_to: 100 - symbol: O # 143 coordinates: [ 0.760823800000000, 0.333333333333333, 0.254402440000000 ] mass: 15.999400 reduced_to: 100 - symbol: O # 144 coordinates: [ 0.760823800000000, 0.666666666666667, 0.254402440000000 ] mass: 15.999400 reduced_to: 100displacements:- atom: 1 displacement: [ 0.0099999983408567, 0.0000000000000000, 0.0000057604567923 ] forces: - [ -0.2109477200000000, 0.0000000000000000, -0.0360243400000000 ] - [ -0.0104966400000000, 0.0051868700000000, -0.0021907400000000 ] - [ -0.0104966400000000, -0.0051868700000000, -0.0021907400000000 ] - [ -0.0147044600000000, -0.0042982100000000, -0.0145266200000000 ] - [ -0.0042083200000000, 0.0000000000000000, -0.0033061000000000 ] - [ -0.0147044600000000, 0.0042982100000000, -0.0145266200000000 ] - [ -0.0256750300000000, 0.0000000000000000, -0.0761469200000000 ] - [ -0.0019885100000000, -0.0077442100000000, 0.0019031800000000 ] - [ -0.0019885100000000, 0.0077442100000000, 0.0019031800000000 ] - [ -0.0129810700000000, 0.0069252800000000, 0.0143622000000000 ] - [ -0.0033603500000000, 0.0000000000000000, 0.0023439000000000 ] - [ -0.0129810700000000, -0.0069252800000000, 0.0143622000000000 ] - [ -0.0030871100000000, 0.0000000000000000, 0.0317827600000000 ] - [ -0.0036725700000000, -0.0069966300000000, -0.0038840900000000 ] - [ -0.0036725700000000, 0.0069966300000000, -0.0038840900000000 ] - [ 0.0147496800000000, 0.0536464600000000, -0.0056419800000000 ] - [ 0.0013146800000000, 0.0000000000000000, -0.0009391600000000 ] - [ 0.0147496800000000, -0.0536464600000000, -0.0056419800000000 ] - [ 0.0052328500000000, -0.0010273400000000, 0.0008378200000000 ] - [ 0.0027488600000000, 0.0000000000000000, 0.0007069700000000 ] - [ 0.0052328500000000, 0.0010273400000000, 0.0008378200000000 ] - [ 0.0048377700000000, 0.0000000000000000, 0.0024885000000000 ] - [ 0.0017890800000000, -0.0003437200000000, 0.0007496600000000 ] - [ 0.0017890800000000, 0.0003437200000000, 0.0007496600000000 ] - [ 0.0046568700000000, -0.0003527000000000, 0.0008977000000000 ] - [ 0.0029465200000000, 0.0000000000000000, 0.0003496000000000 ] - [ 0.0046568700000000, 0.0003527000000000, 0.0008977000000000 ] - [ 0.0047580200000000, 0.0000000000000000, -0.0006203300000000 ] - [ 0.0009205300000000, -0.0006695200000000, -0.0005034800000000 ] - [ 0.0009205300000000, 0.0006695200000000, -0.0005034800000000 ] - [ 0.0029558800000000, -0.0001915700000000, 0.0006969100000000 ] - [ 0.0008556300000000, 0.0000000000000000, 0.0003508000000000 ] - [ 0.0029558800000000, 0.0001915700000000, 0.0006969100000000 ] - [ 0.0146663000000000, 0.0000000000000000, 0.0000860400000000 ] - [ 0.0013418500000000, -0.0019495400000000, 0.0009518200000000 ] - [ 0.0013418500000000, 0.0019495400000000, 0.0009518200000000 ] - [ 0.0007281000000000, 0.0001033600000000, 0.0005163600000000 ] - [ 0.0005711800000000, 0.0000000000000000, 0.0004972100000000 ] - [ 0.0007281000000000, -0.0001033600000000, 0.0005163600000000 ] - [ 0.0043377100000000, 0.0000000000000000, 0.0018770900000000 ] - [ 0.0001505400000000, -0.0002616600000000, 0.0002052600000000 ] - [ 0.0001505400000000, 0.0002616600000000, 0.0002052600000000 ] - [ 0.0016039500000000, 0.0000000000000000, 0.0002402600000000 ] - [ 0.0000196600000000, -0.0003819700000000, 0.0000026600000000 ] - [ 0.0000196600000000, 0.0003819700000000, 0.0000026600000000 ] - [ 0.0196568000000000, 0.0000000000000000, 0.0105921800000000 ] - [ -0.0006202100000000, -0.0008164600000000, -0.0006265100000000 ] - [ -0.0006202100000000, 0.0008164600000000, -0.0006265100000000 ] - [ 0.0040440400000000, 0.0000000000000000, 0.0028314200000000 ] - [ 0.0006799300000000, -0.0001584100000000, 0.0005712100000000 ] - [ 0.0006799300000000, 0.0001584100000000, 0.0005712100000000 ] - [ 0.0023980400000000, 0.0000167100000000, 0.0021112100000000 ] - [ 0.0008583900000000, 0.0000000000000000, 0.0008306600000000 ] - [ 0.0023980400000000, -0.0000167100000000, 0.0021112100000000 ] - [ 0.0015249400000000, 0.0002393300000000, -0.0043525400000000 ] - [ 0.0005328500000000, 0.0000000000000000, -0.0015208400000000 ] - [ 0.0015249400000000, -0.0002393300000000, -0.0043525400000000 ] - [ 0.0035147900000000, 0.0001935300000000, 0.0027312900000000 ] - [ 0.0012132000000000, 0.0000000000000000, 0.0008707600000000 ] - [ 0.0035147900000000, -0.0001935300000000, 0.0027312900000000 ] - [ 0.0338963600000000, 0.0000000000000000, 0.0405569000000000 ] - [ 0.0032921600000000, 0.0009082400000000, 0.0072707000000000 ] - [ 0.0032921600000000, -0.0009082400000000, 0.0072707000000000 ] - [ 0.0060494100000000, -0.0036983400000000, 0.0192812000000000 ] - [ 0.0015806000000000, 0.0000000000000000, 0.0041335400000000 ] - [ 0.0060494100000000, 0.0036983400000000, 0.0192812000000000 ] - [ 0.0553308200000000, 0.0000000000000000, 0.0220774100000000 ] - [ 0.0044100500000000, 0.0010348900000000, -0.0026524800000000 ] - [ 0.0044100500000000, -0.0010348900000000, -0.0026524800000000 ] - [ 0.0029936100000000, 0.0001040600000000, -0.0028943200000000 ] - [ 0.0010288000000000, 0.0000000000000000, -0.0009874600000000 ] - [ 0.0029936100000000, -0.0001040600000000, -0.0028943200000000 ] - [ -0.0040559800000000, 0.0000000000000000, 0.0028466000000000 ] - [ 0.0009574800000000, 0.0010514600000000, 0.0000739900000000 ] - [ 0.0009574800000000, -0.0010514600000000, 0.0000739900000000 ] - [ 0.0032147100000000, -0.0042905500000000, -0.0097023600000000 ] - [ 0.0005937600000000, 0.0000000000000000, -0.0022821000000000 ] - [ 0.0032147100000000, 0.0042905500000000, -0.0097023600000000 ] - [ -0.0055627900000000, 0.0000000000000000, -0.0019545400000000 ] - [ -0.0001814900000000, 0.0005734100000000, -0.0000291800000000 ] - [ -0.0001814900000000, -0.0005734100000000, -0.0000291800000000 ] - [ -0.0074264300000000, -0.0018932400000000, 0.0014424700000000 ] - [ -0.0019986600000000, 0.0000000000000000, 0.0002893400000000 ] - [ -0.0074264300000000, 0.0018932400000000, 0.0014424700000000 ] - [ 0.0420863000000000, 0.0000000000000000, -0.0079541300000000 ] - [ 0.0060728100000000, -0.0091241000000000, -0.0013213100000000 ] - [ 0.0060728100000000, 0.0091241000000000, -0.0013213100000000 ] - [ 0.0059753900000000, 0.0121918000000000, -0.0014292300000000 ] - [ 0.0028479600000000, 0.0000000000000000, 0.0008633200000000 ] - [ 0.0059753900000000, -0.0121918000000000, -0.0014292300000000 ] - [ 0.0228916000000000, 0.0000000000000000, -0.0083255500000000 ] - [ 0.0035928700000000, -0.0012809300000000, -0.0011390900000000 ] - [ 0.0035928700000000, 0.0012809300000000, -0.0011390900000000 ] - [ 0.0079443300000000, 0.0143307100000000, 0.0043739400000000 ] - [ 0.0017720600000000, 0.0000000000000000, 0.0002861000000000 ] - [ 0.0079443300000000, -0.0143307100000000, 0.0043739400000000 ] - [ 0.0110104100000000, 0.0000000000000000, 0.0070689800000000 ] - [ 0.0039433000000000, 0.0007968900000000, 0.0009612200000000 ] - [ 0.0039433000000000, -0.0007968900000000, 0.0009612200000000 ] - [ 0.0172944100000000, 0.0111218400000000, 0.0042884900000000 ] - [ 0.0000151600000000, 0.0000000000000000, -0.0008733700000000 ] - [ 0.0172944100000000, -0.0111218400000000, 0.0042884900000000 ] - [ -0.0017695500000000, 0.0000693700000000, -0.0018098900000000 ] - [ -0.0010863000000000, 0.0000000000000000, -0.0010926600000000 ] - [ -0.0017695500000000, -0.0000693700000000, -0.0018098900000000 ] - [ -0.0028499100000000, 0.0000000000000000, -0.0048708200000000 ] - [ -0.0007086400000000, 0.0002289500000000, -0.0018950500000000 ] - [ -0.0007086400000000, -0.0002289500000000, -0.0018950500000000 ] - [ -0.0034970800000000, 0.0000049300000000, -0.0013572700000000 ] - [ -0.0015105800000000, 0.0000000000000000, -0.0004891000000000 ] - [ -0.0034970800000000, -0.0000049300000000, -0.0013572700000000 ] - [ -0.0031197300000000, 0.0000000000000000, -0.0012491600000000 ] - [ -0.0005703500000000, 0.0001757100000000, -0.0000278500000000 ] - [ -0.0005703500000000, -0.0001757100000000, -0.0000278500000000 ] - [ -0.0029410500000000, -0.0000165300000000, -0.0008660500000000 ] - [ -0.0012742900000000, 0.0000000000000000, -0.0001202600000000 ] - [ -0.0029410500000000, 0.0000165300000000, -0.0008660500000000 ] - [ -0.0055101800000000, 0.0000000000000000, 0.0002808700000000 ] - [ -0.0010816100000000, 0.0003925600000000, 0.0002147900000000 ] - [ -0.0010816100000000, -0.0003925600000000, 0.0002147900000000 ] - [ -0.0037135000000000, -0.0001521900000000, 0.0025245900000000 ] - [ -0.0020461000000000, 0.0000000000000000, 0.0008702800000000 ] - [ -0.0037135000000000, 0.0001521900000000, 0.0025245900000000 ] - [ -0.0185881100000000, 0.0000000000000000, -0.0045547000000000 ] - [ -0.0004149900000000, 0.0008662300000000, 0.0001925600000000 ] - [ -0.0004149900000000, -0.0008662300000000, 0.0001925600000000 ] - [ -0.0016259900000000, 0.0029624000000000, -0.0008333300000000 ] - [ -0.0002424800000000, 0.0000000000000000, -0.0008895600000000 ] - [ -0.0016259900000000, -0.0029624000000000, -0.0008333300000000 ] - [ -0.0016035900000000, 0.0000000000000000, 0.0005935400000000 ] - [ -0.0006001900000000, -0.0001939200000000, 0.0005882600000000 ] - [ -0.0006001900000000, 0.0001939200000000, 0.0005882600000000 ] - [ -0.0013348300000000, 0.0011445600000000, -0.0001567500000000 ] - [ -0.0005849600000000, 0.0000000000000000, -0.0000500400000000 ] - [ -0.0013348300000000, -0.0011445600000000, -0.0001567500000000 ] - [ -0.0028330500000000, 0.0000000000000000, -0.0006334200000000 ] - [ -0.0017075200000000, -0.0000372200000000, -0.0002678900000000 ] - [ -0.0017075200000000, 0.0000372200000000, -0.0002678900000000 ] - [ 0.0001690000000000, 0.0007008400000000, -0.0005021700000000 ] - [ 0.0007875800000000, 0.0000000000000000, -0.0003293900000000 ] - [ 0.0001690000000000, -0.0007008400000000, -0.0005021700000000 ] - [ -0.0038583900000000, 0.0000000000000000, 0.0003081500000000 ] - [ -0.0019274700000000, 0.0003895500000000, 0.0004560600000000 ] - [ -0.0019274700000000, -0.0003895500000000, 0.0004560600000000 ]- atom: 1 displacement: [ -0.0099999983408567, 0.0000000000000000, -0.0000057604567923 ] forces: - [ 0.2114978800000000, 0.0000000000000000, 0.0360050900000000 ] - [ 0.0108238200000000, -0.0052827500000000, 0.0023941000000000 ] - [ 0.0108238200000000, 0.0052827500000000, 0.0023941000000000 ] - [ 0.0142352200000000, 0.0042738700000000, 0.0141880000000000 ] - [ 0.0038551600000000, 0.0000000000000000, 0.0030307000000000 ] - [ 0.0142352200000000, -0.0042738700000000, 0.0141880000000000 ] - [ 0.0277915400000000, 0.0000000000000000, 0.0766829900000000 ] - [ 0.0040461200000000, 0.0077602900000000, -0.0018166100000000 ] - [ 0.0040461200000000, -0.0077602900000000, -0.0018166100000000 ] - [ 0.0115749800000000, -0.0068199700000000, -0.0148345100000000 ] - [ 0.0020514400000000, 0.0000000000000000, -0.0028078300000000 ] - [ 0.0115749800000000, 0.0068199700000000, -0.0148345100000000 ] - [ 0.0002960500000000, 0.0000000000000000, -0.0315181100000000 ] - [ 0.0008352200000000, 0.0069325800000000, 0.0036360100000000 ] - [ 0.0008352200000000, -0.0069325800000000, 0.0036360100000000 ] - [ -0.0153611400000000, -0.0528873200000000, 0.0067458200000000 ] - [ -0.0020375800000000, 0.0000000000000000, 0.0020973800000000 ] - [ -0.0153611400000000, 0.0528873200000000, 0.0067458200000000 ] - [ -0.0048508500000000, 0.0010284100000000, -0.0006448700000000 ] - [ -0.0023737400000000, 0.0000000000000000, -0.0005134900000000 ] - [ -0.0048508500000000, -0.0010284100000000, -0.0006448700000000 ] - [ -0.0051288700000000, 0.0000000000000000, -0.0027455900000000 ] - [ -0.0020939200000000, 0.0003437400000000, -0.0009989900000000 ] - [ -0.0020939200000000, -0.0003437400000000, -0.0009989900000000 ] - [ -0.0025646900000000, 0.0003536400000000, -0.0008091700000000 ] - [ -0.0008681400000000, 0.0000000000000000, -0.0002692700000000 ] - [ -0.0025646900000000, -0.0003536400000000, -0.0008091700000000 ] - [ -0.0060252900000000, 0.0000000000000000, 0.0001802900000000 ] - [ -0.0021890200000000, 0.0006693100000000, 0.0000539300000000 ] - [ -0.0021890200000000, -0.0006693100000000, 0.0000539300000000 ] - [ -0.0057766800000000, 0.0001938500000000, -0.0009507800000000 ] - [ -0.0036916600000000, 0.0000000000000000, -0.0006080500000000 ] - [ -0.0057766800000000, -0.0001938500000000, -0.0009507800000000 ] - [ -0.0154027000000000, 0.0000000000000000, 0.0010756100000000 ] - [ -0.0020415800000000, 0.0019529300000000, 0.0002028200000000 ] - [ -0.0020415800000000, -0.0019529300000000, 0.0002028200000000 ] - [ -0.0000822400000000, -0.0001025300000000, 0.0001386100000000 ] - [ 0.0000690300000000, 0.0000000000000000, 0.0001546000000000 ] - [ -0.0000822400000000, 0.0001025300000000, 0.0001386100000000 ] - [ -0.0042956600000000, 0.0000000000000000, -0.0015187600000000 ] - [ -0.0001228300000000, 0.0002615100000000, 0.0001349500000000 ] - [ -0.0001228300000000, -0.0002615100000000, 0.0001349500000000 ] - [ -0.0014475600000000, 0.0000000000000000, -0.0007808200000000 ] - [ 0.0001078300000000, 0.0003817800000000, -0.0004652400000000 ] - [ 0.0001078300000000, -0.0003817800000000, -0.0004652400000000 ] - [ -0.0200966800000000, 0.0000000000000000, -0.0110388700000000 ] - [ 0.0004011900000000, 0.0008199700000000, 0.0002753500000000 ] - [ 0.0004011900000000, -0.0008199700000000, 0.0002753500000000 ] - [ -0.0033509500000000, 0.0000000000000000, -0.0021384800000000 ] - [ -0.0000236500000000, 0.0001573600000000, 0.0000935000000000 ] - [ -0.0000236500000000, -0.0001573600000000, 0.0000935000000000 ] - [ -0.0023657400000000, -0.0000154900000000, -0.0017656100000000 ] - [ -0.0008409000000000, 0.0000000000000000, -0.0004975800000000 ] - [ -0.0023657400000000, 0.0000154900000000, -0.0017656100000000 ] - [ -0.0013942000000000, -0.0002381500000000, 0.0038867000000000 ] - [ -0.0004091800000000, 0.0000000000000000, 0.0010677700000000 ] - [ -0.0013942000000000, 0.0002381500000000, 0.0038867000000000 ] - [ -0.0037161400000000, -0.0001941200000000, -0.0030746100000000 ] - [ -0.0014331600000000, 0.0000000000000000, -0.0012219600000000 ] - [ -0.0037161400000000, 0.0001941200000000, -0.0030746100000000 ] - [ -0.0342230900000000, 0.0000000000000000, -0.0418375400000000 ] - [ -0.0038043900000000, -0.0009067400000000, -0.0070891300000000 ] - [ -0.0038043900000000, 0.0009067400000000, -0.0070891300000000 ] - [ -0.0059830200000000, 0.0036195300000000, -0.0201863100000000 ] - [ -0.0015611300000000, 0.0000000000000000, -0.0052047400000000 ] - [ -0.0059830200000000, -0.0036195300000000, -0.0201863100000000 ] - [ -0.0595100500000000, 0.0000000000000000, -0.0200042300000000 ] - [ -0.0042853500000000, -0.0010411200000000, 0.0026391600000000 ] - [ -0.0042853500000000, 0.0010411200000000, 0.0026391600000000 ] - [ -0.0026196900000000, -0.0001129800000000, 0.0027035900000000 ] - [ -0.0006631600000000, 0.0000000000000000, 0.0008163500000000 ] - [ -0.0026196900000000, 0.0001129800000000, 0.0027035900000000 ] - [ 0.0042509600000000, 0.0000000000000000, -0.0024664100000000 ] - [ -0.0007385700000000, -0.0010480600000000, 0.0003601400000000 ] - [ -0.0007385700000000, 0.0010480600000000, 0.0003601400000000 ] - [ -0.0034409700000000, 0.0042376700000000, 0.0093951400000000 ] - [ -0.0008565200000000, 0.0000000000000000, 0.0020309000000000 ] - [ -0.0034409700000000, -0.0042376700000000, 0.0093951400000000 ] - [ 0.0042121900000000, 0.0000000000000000, 0.0022601300000000 ] - [ -0.0010628100000000, -0.0005704200000000, 0.0003201100000000 ] - [ -0.0010628100000000, 0.0005704200000000, 0.0003201100000000 ] - [ 0.0075913600000000, 0.0018810800000000, -0.0014958400000000 ] - [ 0.0021652100000000, 0.0000000000000000, -0.0003475800000000 ] - [ 0.0075913600000000, -0.0018810800000000, -0.0014958400000000 ] - [ -0.0359341500000000, 0.0000000000000000, 0.0052994400000000 ] - [ -0.0040882900000000, 0.0090292400000000, -0.0005327900000000 ] - [ -0.0040882900000000, -0.0090292400000000, -0.0005327900000000 ] - [ -0.0048226400000000, -0.0120598200000000, 0.0026168100000000 ] - [ -0.0017282400000000, 0.0000000000000000, 0.0003539300000000 ] - [ -0.0048226400000000, 0.0120598200000000, 0.0026168100000000 ] - [ -0.0222088800000000, 0.0000000000000000, 0.0081565600000000 ] - [ -0.0029143000000000, 0.0012824000000000, 0.0012609600000000 ] - [ -0.0029143000000000, -0.0012824000000000, 0.0012609600000000 ] - [ -0.0095028000000000, -0.0143384400000000, -0.0045195000000000 ] - [ -0.0033330000000000, 0.0000000000000000, -0.0004046900000000 ] - [ -0.0095028000000000, 0.0143384400000000, -0.0045195000000000 ] - [ -0.0076425300000000, 0.0000000000000000, -0.0074305100000000 ] - [ -0.0006486600000000, -0.0007962900000000, -0.0012842300000000 ] - [ -0.0006486600000000, 0.0007962900000000, -0.0012842300000000 ] - [ -0.0196142100000000, -0.0111899500000000, -0.0033168300000000 ] - [ -0.0020589100000000, 0.0000000000000000, 0.0018896300000000 ] - [ -0.0196142100000000, 0.0111899500000000, -0.0033168300000000 ] - [ 0.0012535000000000, -0.0000695200000000, 0.0019819500000000 ] - [ 0.0005716300000000, 0.0000000000000000, 0.0012656500000000 ] - [ 0.0012535000000000, 0.0000695200000000, 0.0019819500000000 ] - [ 0.0028524200000000, 0.0000000000000000, 0.0037704600000000 ] - [ 0.0007114000000000, -0.0002292300000000, 0.0007957800000000 ] - [ 0.0007114000000000, 0.0002292300000000, 0.0007957800000000 ] - [ 0.0036186500000000, -0.0000059500000000, 0.0013254500000000 ] - [ 0.0016420900000000, 0.0000000000000000, 0.0004696000000000 ] - [ 0.0036186500000000, 0.0000059500000000, 0.0013254500000000 ] - [ 0.0034397200000000, 0.0000000000000000, 0.0010536500000000 ] - [ 0.0009209600000000, -0.0001749100000000, -0.0001562000000000 ] - [ 0.0009209600000000, 0.0001749100000000, -0.0001562000000000 ] - [ 0.0031439400000000, 0.0000157400000000, 0.0013110800000000 ] - [ 0.0014939700000000, 0.0000000000000000, 0.0005717700000000 ] - [ 0.0031439400000000, -0.0000157400000000, 0.0013110800000000 ] - [ 0.0052183000000000, 0.0000000000000000, -0.0005350600000000 ] - [ 0.0007894800000000, -0.0003929800000000, -0.0004573000000000 ] - [ 0.0007894800000000, 0.0003929800000000, -0.0004573000000000 ] - [ 0.0024747600000000, 0.0001510700000000, -0.0022275600000000 ] - [ 0.0008202400000000, 0.0000000000000000, -0.0005800900000000 ] - [ 0.0024747600000000, -0.0001510700000000, -0.0022275600000000 ] - [ 0.0188086300000000, 0.0000000000000000, 0.0045738600000000 ] - [ 0.0005702300000000, -0.0008695100000000, -0.0002448900000000 ] - [ 0.0005702300000000, 0.0008695100000000, -0.0002448900000000 ] - [ 0.0035354500000000, -0.0029637900000000, -0.0010170800000000 ] - [ 0.0021528900000000, 0.0000000000000000, -0.0009604200000000 ] - [ 0.0035354500000000, 0.0029637900000000, -0.0010170800000000 ] - [ 0.0026881300000000, 0.0000000000000000, 0.0006322600000000 ] - [ 0.0016903000000000, 0.0001895200000000, 0.0006364300000000 ] - [ 0.0016903000000000, -0.0001895200000000, 0.0006364300000000 ] - [ 0.0019756000000000, -0.0011413200000000, 0.0002483300000000 ] - [ 0.0012313700000000, 0.0000000000000000, 0.0001459800000000 ] - [ 0.0019756000000000, 0.0011413200000000, 0.0002483300000000 ] - [ 0.0012534900000000, 0.0000000000000000, 0.0005105600000000 ] - [ 0.0001330400000000, 0.0000351000000000, 0.0001491200000000 ] - [ 0.0001330400000000, -0.0000351000000000, 0.0001491200000000 ] - [ 0.0030923800000000, -0.0007006600000000, 0.0001786100000000 ] - [ 0.0024786200000000, 0.0000000000000000, 0.0000065400000000 ] - [ 0.0030923800000000, 0.0007006600000000, 0.0001786100000000 ] - [ 0.0017693900000000, 0.0000000000000000, 0.0006824400000000 ] - [ -0.0001613300000000, -0.0003931400000000, 0.0005385800000000 ] - [ -0.0001613300000000, 0.0003931400000000, 0.0005385800000000 ]- atom: 1 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0011310200000000, -0.1947253700000000, -0.0009731200000000 ] - [ -0.0050767400000000, 0.0567849300000000, -0.0061334300000000 ] - [ 0.0053850300000000, 0.0563003500000000, 0.0063028600000000 ] - [ -0.0045701100000000, -0.0025170500000000, -0.0039697500000000 ] - [ -0.0001837100000000, 0.0054549400000000, -0.0001328900000000 ] - [ 0.0040459300000000, -0.0024570800000000, 0.0036807800000000 ] - [ 0.0009312900000000, -0.0142483100000000, -0.0001477300000000 ] - [ -0.0002444900000000, 0.0057926900000000, 0.0080456700000000 ] - [ 0.0022572400000000, 0.0058300400000000, -0.0078597000000000 ] - [ 0.0044994500000000, -0.0041662700000000, 0.0369835300000000 ] - [ -0.0006420400000000, 0.0109819900000000, -0.0002105200000000 ] - [ -0.0057060600000000, -0.0042241800000000, -0.0369702800000000 ] - [ -0.0013875600000000, -0.0094603000000000, 0.0003355100000000 ] - [ -0.0028116700000000, 0.0038812000000000, -0.0088362200000000 ] - [ -0.0000353800000000, 0.0040445100000000, 0.0085088100000000 ] - [ 0.0370538800000000, -0.0065377500000000, -0.0092637000000000 ] - [ -0.0003481400000000, 0.0152878400000000, 0.0005635100000000 ] - [ -0.0372858900000000, -0.0065573700000000, 0.0102588400000000 ] - [ 0.0012250500000000, -0.0005267600000000, 0.0002229100000000 ] - [ 0.0001927800000000, 0.0010445900000000, 0.0000974100000000 ] - [ -0.0008272600000000, -0.0005171400000000, -0.0000289900000000 ] - [ -0.0001351500000000, -0.0010781300000000, -0.0001179700000000 ] - [ -0.0005560700000000, 0.0005359200000000, -0.0003060500000000 ] - [ 0.0002551800000000, 0.0005406100000000, 0.0000622400000000 ] - [ 0.0028090900000000, -0.0006080800000000, 0.0004133200000000 ] - [ 0.0010444600000000, 0.0012105500000000, 0.0000414900000000 ] - [ -0.0007079900000000, -0.0006018800000000, -0.0003284400000000 ] - [ -0.0006226600000000, -0.0010306500000000, -0.0002214800000000 ] - [ -0.0012664500000000, 0.0005112800000000, -0.0003347800000000 ] - [ -0.0000011200000000, 0.0005183200000000, -0.0001157600000000 ] - [ 0.0008851600000000, -0.0007371200000000, 0.0002249600000000 ] - [ -0.0014100900000000, 0.0014688400000000, -0.0001272000000000 ] - [ -0.0036955700000000, -0.0007330500000000, -0.0004721300000000 ] - [ -0.0003052700000000, -0.0014142300000000, 0.0005710900000000 ] - [ -0.0026327700000000, 0.0006937800000000, 0.0007140400000000 ] - [ 0.0019242600000000, 0.0007097600000000, 0.0004403400000000 ] - [ 0.0021273500000000, -0.0001248100000000, 0.0015824500000000 ] - [ 0.0003256000000000, 0.0002298900000000, 0.0003304000000000 ] - [ -0.0014686500000000, -0.0001239700000000, -0.0009188100000000 ] - [ 0.0000213100000000, -0.0002161800000000, 0.0001723900000000 ] - [ -0.0008883600000000, 0.0000675500000000, -0.0003020600000000 ] - [ 0.0009096900000000, 0.0000682500000000, 0.0006381100000000 ] - [ 0.0000794800000000, -0.0005280700000000, -0.0002483300000000 ] - [ -0.0003637500000000, 0.0002004000000000, 0.0001179600000000 ] - [ 0.0004879900000000, 0.0002035000000000, -0.0005778600000000 ] - [ -0.0000622100000000, -0.0018814900000000, -0.0001583800000000 ] - [ -0.0021410100000000, 0.0004747900000000, -0.0014612600000000 ] - [ 0.0018988400000000, 0.0004765200000000, 0.0010943800000000 ] - [ 0.0003525100000000, -0.0000619300000000, 0.0003518800000000 ] - [ -0.0005204300000000, 0.0000520000000000, -0.0003157200000000 ] - [ 0.0011725800000000, 0.0000542000000000, 0.0009779400000000 ] - [ 0.0026220000000000, -0.0001239300000000, 0.0023572900000000 ] - [ 0.0000150300000000, 0.0002143300000000, 0.0001713500000000 ] - [ -0.0025781200000000, -0.0001248700000000, -0.0020017400000000 ] - [ 0.0006144600000000, -0.0001560700000000, -0.0021651400000000 ] - [ 0.0000632000000000, 0.0002448000000000, -0.0002305400000000 ] - [ -0.0004874300000000, -0.0001543800000000, 0.0016964600000000 ] - [ 0.0013436800000000, -0.0001423700000000, 0.0017430300000000 ] - [ -0.0001062100000000, 0.0002392700000000, -0.0001725100000000 ] - [ -0.0015505500000000, -0.0001355700000000, -0.0020738700000000 ] - [ -0.0001762000000000, 0.0154642400000000, 0.0000843100000000 ] - [ 0.0037726900000000, -0.0033967000000000, 0.0129998000000000 ] - [ -0.0042466700000000, -0.0033633900000000, -0.0127189000000000 ] - [ -0.0010185700000000, 0.0009327600000000, 0.0048955500000000 ] - [ 0.0000092900000000, -0.0019683100000000, -0.0005323500000000 ] - [ 0.0010356800000000, 0.0009166100000000, -0.0058667800000000 ] - [ 0.0003248900000000, 0.0108797300000000, -0.0000133200000000 ] - [ 0.0051531800000000, -0.0042061000000000, -0.0064028400000000 ] - [ -0.0049670700000000, -0.0041632000000000, 0.0063320600000000 ] - [ 0.0015403800000000, 0.0008118900000000, -0.0073473700000000 ] - [ 0.0001839000000000, -0.0014520600000000, -0.0001003800000000 ] - [ -0.0011261200000000, 0.0008216500000000, 0.0070630400000000 ] - [ 0.0001191900000000, 0.0012553800000000, 0.0001948100000000 ] - [ 0.0016874800000000, -0.0005213800000000, 0.0000261000000000 ] - [ -0.0014465800000000, -0.0005368000000000, 0.0003957100000000 ] - [ -0.0068231000000000, 0.0009320000000000, -0.0040324600000000 ] - [ -0.0001430200000000, -0.0018051000000000, -0.0001254000000000 ] - [ 0.0064786100000000, 0.0009171500000000, 0.0037531700000000 ] - [ -0.0006703900000000, 0.0006848500000000, 0.0001343900000000 ] - [ 0.0009212500000000, -0.0003020700000000, 0.0004234000000000 ] - [ -0.0021532200000000, -0.0003104200000000, -0.0001310700000000 ] - [ -0.0072636600000000, 0.0005696200000000, 0.0002276700000000 ] - [ 0.0000723100000000, -0.0009460700000000, -0.0000281200000000 ] - [ 0.0073736200000000, 0.0005804200000000, -0.0002879100000000 ] - [ 0.0005685100000000, 0.0269073500000000, -0.0008588300000000 ] - [ -0.0079169400000000, -0.0125662200000000, 0.0009453200000000 ] - [ 0.0097926100000000, -0.0124774600000000, -0.0027796700000000 ] - [ 0.0023589900000000, 0.0044545900000000, 0.0010757600000000 ] - [ 0.0005650200000000, -0.0078841400000000, 0.0006147000000000 ] - [ -0.0011744300000000, 0.0041704800000000, 0.0000475800000000 ] - [ 0.0003441800000000, 0.0236595400000000, -0.0001690200000000 ] - [ -0.0007248700000000, -0.0094248300000000, -0.0048395400000000 ] - [ 0.0013909000000000, -0.0093811900000000, 0.0049022900000000 ] - [ 0.0020592700000000, 0.0036808700000000, -0.0026236700000000 ] - [ -0.0007744500000000, -0.0078872900000000, -0.0000672200000000 ] - [ -0.0035543300000000, 0.0035508800000000, 0.0024990700000000 ] - [ 0.0016927100000000, 0.0059707400000000, -0.0001783800000000 ] - [ 0.0012355700000000, -0.0029575500000000, -0.0006725300000000 ] - [ 0.0020635600000000, -0.0029908000000000, 0.0003394200000000 ] - [ -0.0005614100000000, 0.0455103400000000, 0.0045986900000000 ] - [ -0.0010488100000000, -0.0229794200000000, 0.0004910700000000 ] - [ -0.0006354700000000, 0.0405404100000000, -0.0027519200000000 ] - [ -0.0007204200000000, 0.0001175300000000, -0.0002560100000000 ] - [ -0.0002588600000000, -0.0002317400000000, 0.0000861300000000 ] - [ 0.0002007100000000, 0.0001159700000000, 0.0004237700000000 ] - [ -0.0000081000000000, 0.0002427500000000, -0.0005638900000000 ] - [ 0.0003222100000000, -0.0001194100000000, -0.0002025600000000 ] - [ -0.0003203600000000, -0.0001213700000000, -0.0009040400000000 ] - [ -0.0014580500000000, 0.0001373800000000, -0.0009181700000000 ] - [ 0.0000622300000000, -0.0002670900000000, -0.0000126800000000 ] - [ 0.0015746200000000, 0.0001358900000000, 0.0008858300000000 ] - [ 0.0001553700000000, 0.0002213800000000, -0.0001003400000000 ] - [ 0.0007574000000000, -0.0001112000000000, 0.0002811600000000 ] - [ -0.0004058300000000, -0.0001135300000000, -0.0004634400000000 ] - [ -0.0025142000000000, 0.0001630500000000, -0.0011024600000000 ] - [ 0.0001035800000000, -0.0003194800000000, 0.0002230100000000 ] - [ 0.0027043800000000, 0.0001627100000000, 0.0015417200000000 ] - [ -0.0001554400000000, 0.0002903700000000, -0.0001198700000000 ] - [ 0.0007082600000000, -0.0001417500000000, 0.0000317700000000 ] - [ -0.0009974600000000, -0.0001445000000000, -0.0002687100000000 ] - [ -0.0031917800000000, 0.0001772500000000, 0.0006814400000000 ] - [ -0.0006203600000000, -0.0003365300000000, 0.0001457200000000 ] - [ 0.0019435900000000, 0.0001760900000000, -0.0003868800000000 ] - [ 0.0000215400000000, 0.0008483500000000, -0.0000252100000000 ] - [ 0.0027302300000000, -0.0003882800000000, 0.0002360400000000 ] - [ -0.0025562800000000, -0.0003926900000000, -0.0002832000000000 ] - [ 0.0008500300000000, 0.0007447500000000, -0.0009217900000000 ] - [ 0.0009538500000000, -0.0014662900000000, -0.0009249900000000 ] - [ 0.0010471700000000, 0.0007219300000000, -0.0009274100000000 ] - [ 0.0005390400000000, 0.0017536500000000, 0.0006131800000000 ] - [ 0.0005158300000000, -0.0008763000000000, 0.0005695300000000 ] - [ 0.0005715400000000, -0.0008765100000000, 0.0006555700000000 ] - [ -0.0000858800000000, 0.0004487900000000, -0.0000485500000000 ] - [ 0.0003209500000000, -0.0008846100000000, 0.0000484100000000 ] - [ 0.0007218000000000, 0.0004363600000000, 0.0001411800000000 ] - [ -0.0007930600000000, 0.0014001500000000, -0.0000613900000000 ] - [ -0.0007238900000000, -0.0006974200000000, -0.0000195100000000 ] - [ -0.0008521600000000, -0.0006995800000000, -0.0000988000000000 ] - [ 0.0010990800000000, 0.0003843600000000, -0.0003340700000000 ] - [ 0.0016310500000000, -0.0007631200000000, -0.0001622000000000 ] - [ 0.0021581100000000, 0.0003785700000000, 0.0000093800000000 ] - [ -0.0010518100000000, 0.0009523300000000, 0.0004960700000000 ] - [ -0.0007870800000000, -0.0004749400000000, 0.0005482400000000 ] - [ -0.0013025700000000, -0.0004775400000000, 0.0004472000000000 ]- atom: 1 displacement: [ -0.0020604768976038, 0.0000000000000000, 0.0097854195083523 ] forces: - [ 0.0113144000000000, 0.0000000000000000, -0.2618102700000000 ] - [ 0.0001651600000000, 0.0049615600000000, -0.0066566500000000 ] - [ 0.0001651600000000, -0.0049615600000000, -0.0066566500000000 ] - [ -0.0112524700000000, -0.0034598100000000, 0.0148878500000000 ] - [ -0.0026439100000000, 0.0000000000000000, 0.0017332400000000 ] - [ -0.0112524700000000, 0.0034598100000000, 0.0148878500000000 ] - [ -0.0231222800000000, 0.0000000000000000, 0.0707926200000000 ] - [ -0.0026865900000000, 0.0063835600000000, 0.0028226600000000 ] - [ -0.0026865900000000, -0.0063835600000000, 0.0028226600000000 ] - [ 0.0131948500000000, 0.0312171700000000, 0.0085107700000000 ] - [ 0.0014518800000000, 0.0000000000000000, 0.0009206700000000 ] - [ 0.0131948500000000, -0.0312171700000000, 0.0085107700000000 ] - [ 0.0076189100000000, 0.0000000000000000, 0.0869483600000000 ] - [ -0.0007761100000000, -0.0109286500000000, -0.0004617300000000 ] - [ -0.0007761100000000, 0.0109286500000000, -0.0004617300000000 ] - [ -0.0040291400000000, -0.0202742100000000, -0.0114676800000000 ] - [ -0.0003888200000000, 0.0000000000000000, -0.0013817700000000 ] - [ -0.0040291400000000, 0.0202742100000000, -0.0114676800000000 ] - [ -0.0001394700000000, 0.0000891700000000, 0.0002208300000000 ] - [ 0.0002488000000000, 0.0000000000000000, 0.0001264700000000 ] - [ -0.0001394700000000, -0.0000891700000000, 0.0002208300000000 ] - [ 0.0013597500000000, 0.0000000000000000, -0.0011759000000000 ] - [ 0.0003156100000000, -0.0000875500000000, -0.0001815800000000 ] - [ 0.0003156100000000, 0.0000875500000000, -0.0001815800000000 ] - [ 0.0017665600000000, -0.0000972500000000, -0.0003186200000000 ] - [ 0.0014019100000000, 0.0000000000000000, -0.0000078200000000 ] - [ 0.0017665600000000, 0.0000972500000000, -0.0003186200000000 ] - [ -0.0016733300000000, 0.0000000000000000, 0.0021776900000000 ] - [ -0.0007729700000000, -0.0000508500000000, 0.0003029500000000 ] - [ -0.0007729700000000, 0.0000508500000000, 0.0003029500000000 ] - [ -0.0010668400000000, 0.0000045800000000, 0.0003438400000000 ] - [ -0.0011534100000000, 0.0000000000000000, 0.0000619600000000 ] - [ -0.0010668400000000, -0.0000045800000000, 0.0003438400000000 ] - [ -0.0033655900000000, 0.0000000000000000, -0.0002013400000000 ] - [ -0.0003530100000000, 0.0002696200000000, 0.0001931500000000 ] - [ -0.0003530100000000, -0.0002696200000000, 0.0001931500000000 ] - [ 0.0015462600000000, 0.0000017200000000, 0.0015597000000000 ] - [ 0.0006028000000000, 0.0000000000000000, 0.0006140000000000 ] - [ 0.0015462600000000, -0.0000017200000000, 0.0015597000000000 ] - [ -0.0009717200000000, 0.0000000000000000, -0.0008093200000000 ] - [ -0.0001356600000000, 0.0001663500000000, 0.0000494200000000 ] - [ -0.0001356600000000, -0.0001663500000000, 0.0000494200000000 ] - [ 0.0048327800000000, 0.0000000000000000, -0.0084153000000000 ] - [ 0.0005056200000000, -0.0002275600000000, -0.0013738800000000 ] - [ 0.0005056200000000, 0.0002275600000000, -0.0013738800000000 ] - [ -0.0126846000000000, 0.0000000000000000, -0.0140736100000000 ] - [ -0.0007827500000000, 0.0001324000000000, -0.0010110700000000 ] - [ -0.0007827500000000, -0.0001324000000000, -0.0010110700000000 ] - [ 0.0056269000000000, 0.0000000000000000, 0.0049549300000000 ] - [ 0.0010614800000000, -0.0001045900000000, 0.0010514600000000 ] - [ 0.0010614800000000, 0.0001045900000000, 0.0010514600000000 ] - [ 0.0010320200000000, 0.0001065400000000, 0.0009392000000000 ] - [ 0.0003030400000000, 0.0000000000000000, 0.0003963500000000 ] - [ 0.0010320200000000, -0.0001065400000000, 0.0009392000000000 ] - [ -0.0004965100000000, -0.0000920400000000, 0.0008917800000000 ] - [ 0.0000076000000000, 0.0000000000000000, -0.0001430600000000 ] - [ -0.0004965100000000, 0.0000920400000000, 0.0008917800000000 ] - [ -0.0008202000000000, -0.0000709700000000, -0.0007405100000000 ] - [ -0.0001036800000000, 0.0000000000000000, -0.0002140600000000 ] - [ -0.0008202000000000, 0.0000709700000000, -0.0007405100000000 ] - [ 0.0417925500000000, 0.0000000000000000, 0.1018306400000000 ] - [ 0.0016549000000000, 0.0014053200000000, 0.0068546400000000 ] - [ 0.0016549000000000, -0.0014053200000000, 0.0068546400000000 ] - [ 0.0020758500000000, 0.0025530500000000, -0.0037294100000000 ] - [ 0.0003081800000000, 0.0000000000000000, -0.0002223700000000 ] - [ 0.0020758500000000, -0.0025530500000000, -0.0037294100000000 ] - [ -0.0359993600000000, 0.0000000000000000, 0.0141445700000000 ] - [ 0.0002532600000000, -0.0011203100000000, 0.0011829300000000 ] - [ 0.0002532600000000, 0.0011203100000000, 0.0011829300000000 ] - [ 0.0032296500000000, -0.0019740300000000, -0.0095531400000000 ] - [ 0.0008738800000000, 0.0000000000000000, -0.0020154700000000 ] - [ 0.0032296500000000, 0.0019740300000000, -0.0095531400000000 ] - [ 0.0098021400000000, 0.0000000000000000, -0.0162723700000000 ] - [ 0.0019627600000000, 0.0002518000000000, -0.0027055600000000 ] - [ 0.0019627600000000, -0.0002518000000000, -0.0027055600000000 ] - [ -0.0060657400000000, -0.0006848900000000, 0.0069435600000000 ] - [ -0.0012356200000000, 0.0000000000000000, 0.0010461300000000 ] - [ -0.0060657400000000, 0.0006848900000000, 0.0069435600000000 ] - [ -0.0138849200000000, 0.0000000000000000, -0.0002123800000000 ] - [ -0.0018538900000000, 0.0005958100000000, 0.0003829800000000 ] - [ -0.0018538900000000, -0.0005958100000000, 0.0003829800000000 ] - [ 0.0014201000000000, 0.0008880300000000, -0.0001050100000000 ] - [ 0.0000263200000000, 0.0000000000000000, 0.0000676600000000 ] - [ 0.0014201000000000, -0.0008880300000000, -0.0001050100000000 ] - [ -0.0045519000000000, 0.0000000000000000, 0.0153333700000000 ] - [ -0.0015882400000000, 0.0021151800000000, 0.0006229700000000 ] - [ -0.0015882400000000, -0.0021151800000000, 0.0006229700000000 ] - [ 0.0050071300000000, 0.0187309500000000, -0.0067377200000000 ] - [ 0.0024442100000000, 0.0000000000000000, 0.0000192400000000 ] - [ 0.0050071300000000, -0.0187309500000000, -0.0067377200000000 ] - [ -0.0109243900000000, 0.0000000000000000, -0.0106296800000000 ] - [ 0.0014570100000000, -0.0041037600000000, 0.0013525600000000 ] - [ 0.0014570100000000, 0.0041037600000000, 0.0013525600000000 ] - [ -0.0004994700000000, -0.0114089900000000, -0.0066173200000000 ] - [ -0.0009738400000000, 0.0000000000000000, -0.0016263100000000 ] - [ -0.0004994700000000, 0.0114089900000000, -0.0066173200000000 ] - [ 0.0095902900000000, 0.0000000000000000, -0.0150197100000000 ] - [ 0.0033525900000000, 0.0012628400000000, -0.0028413200000000 ] - [ 0.0033525900000000, -0.0012628400000000, -0.0028413200000000 ] - [ -0.0006873500000000, 0.0048639400000000, 0.0189843700000000 ] - [ -0.0025667500000000, 0.0000000000000000, 0.0008317900000000 ] - [ -0.0006873500000000, -0.0048639400000000, 0.0189843700000000 ] - [ -0.0002497800000000, 0.0000075000000000, -0.0000710500000000 ] - [ -0.0002983300000000, 0.0000000000000000, -0.0000142400000000 ] - [ -0.0002497800000000, -0.0000075000000000, -0.0000710500000000 ] - [ 0.0003700100000000, 0.0000000000000000, 0.0009321100000000 ] - [ -0.0000618500000000, 0.0000107900000000, -0.0003701400000000 ] - [ -0.0000618500000000, -0.0000107900000000, -0.0003701400000000 ] - [ 0.0004356100000000, 0.0000230100000000, 0.0003776500000000 ] - [ 0.0000109700000000, 0.0000000000000000, 0.0000370200000000 ] - [ 0.0004356100000000, -0.0000230100000000, 0.0003776500000000 ] - [ -0.0033569800000000, 0.0000000000000000, -0.0031610400000000 ] - [ -0.0003825300000000, 0.0000711800000000, -0.0006048000000000 ] - [ -0.0003825300000000, -0.0000711800000000, -0.0006048000000000 ] - [ -0.0009693200000000, -0.0000532500000000, -0.0002407400000000 ] - [ -0.0002747200000000, 0.0000000000000000, 0.0000722600000000 ] - [ -0.0009693200000000, 0.0000532500000000, -0.0002407400000000 ] - [ 0.0016579500000000, 0.0000000000000000, -0.0004212000000000 ] - [ 0.0001659400000000, -0.0000931000000000, -0.0001694300000000 ] - [ 0.0001659400000000, 0.0000931000000000, -0.0001694300000000 ] - [ -0.0011368000000000, 0.0000369600000000, -0.0011097100000000 ] - [ -0.0008473400000000, 0.0000000000000000, -0.0000585300000000 ] - [ -0.0011368000000000, -0.0000369600000000, -0.0011097100000000 ] - [ 0.0078152900000000, 0.0000000000000000, 0.0107560500000000 ] - [ 0.0001591700000000, -0.0000093800000000, 0.0010303100000000 ] - [ 0.0001591700000000, 0.0000093800000000, 0.0010303100000000 ] - [ 0.0011927100000000, -0.0004001800000000, -0.0008535100000000 ] - [ 0.0009567000000000, 0.0000000000000000, -0.0008882700000000 ] - [ 0.0011927100000000, 0.0004001800000000, -0.0008535100000000 ] - [ 0.0002681700000000, 0.0000000000000000, 0.0005619100000000 ] - [ 0.0003903200000000, -0.0000019200000000, 0.0005765300000000 ] - [ 0.0003903200000000, 0.0000019200000000, 0.0005765300000000 ] - [ 0.0002657800000000, 0.0000699900000000, -0.0000663000000000 ] - [ 0.0002479900000000, 0.0000000000000000, -0.0000022500000000 ] - [ 0.0002657800000000, -0.0000699900000000, -0.0000663000000000 ] - [ -0.0011230300000000, 0.0000000000000000, -0.0002330300000000 ] - [ -0.0009234300000000, 0.0000148800000000, -0.0001110100000000 ] - [ -0.0009234300000000, -0.0000148800000000, -0.0001110100000000 ] - [ 0.0013515200000000, 0.0000994900000000, -0.0002120600000000 ] - [ 0.0014819900000000, 0.0000000000000000, -0.0002023600000000 ] - [ 0.0013515200000000, -0.0000994900000000, -0.0002120600000000 ] - [ -0.0006745200000000, 0.0000000000000000, 0.0003897100000000 ] - [ -0.0010299100000000, -0.0000246700000000, 0.0004593100000000 ] - [ -0.0010299100000000, 0.0000246700000000, 0.0004593100000000 ]- atom: 1 displacement: [ 0.0020604768976038, 0.0000000000000000, -0.0097854195083523 ] forces: - [ -0.0053809900000000, 0.0000000000000000, 0.2688630600000000 ] - [ 0.0002485300000000, -0.0050546100000000, 0.0068584200000000 ] - [ 0.0002485300000000, 0.0050546100000000, 0.0068584200000000 ] - [ 0.0109217100000000, 0.0035319700000000, -0.0151381400000000 ] - [ 0.0023270300000000, 0.0000000000000000, -0.0019610900000000 ] - [ 0.0109217100000000, -0.0035319700000000, -0.0151381400000000 ] - [ 0.0245672800000000, 0.0000000000000000, -0.0697771100000000 ] - [ 0.0047383700000000, -0.0063174300000000, -0.0027687600000000 ] - [ 0.0047383700000000, 0.0063174300000000, -0.0027687600000000 ] - [ -0.0143324400000000, -0.0308973400000000, -0.0090398200000000 ] - [ -0.0027115300000000, 0.0000000000000000, -0.0014063100000000 ] - [ -0.0143324400000000, 0.0308973400000000, -0.0090398200000000 ] - [ -0.0105504500000000, 0.0000000000000000, -0.0874146700000000 ] - [ -0.0020615900000000, 0.0109312600000000, 0.0002216200000000 ] - [ -0.0020615900000000, -0.0109312600000000, 0.0002216200000000 ] - [ 0.0032438200000000, 0.0200472800000000, 0.0127202200000000 ] - [ -0.0003368800000000, 0.0000000000000000, 0.0025384000000000 ] - [ 0.0032438200000000, -0.0200472800000000, 0.0127202200000000 ] - [ 0.0004868400000000, -0.0000835600000000, -0.0000330300000000 ] - [ 0.0001095400000000, 0.0000000000000000, 0.0000629500000000 ] - [ 0.0004868400000000, 0.0000835600000000, -0.0000330300000000 ] - [ -0.0016874000000000, 0.0000000000000000, 0.0009115000000000 ] - [ -0.0006354500000000, 0.0000892000000000, -0.0000714200000000 ] - [ -0.0006354500000000, -0.0000892000000000, -0.0000714200000000 ] - [ 0.0003016400000000, 0.0000993100000000, 0.0003918500000000 ] - [ 0.0006665200000000, 0.0000000000000000, 0.0000842900000000 ] - [ 0.0003016400000000, -0.0000993100000000, 0.0003918500000000 ] - [ 0.0003718400000000, 0.0000000000000000, -0.0026245400000000 ] - [ -0.0005084100000000, 0.0000534600000000, -0.0007540600000000 ] - [ -0.0005084100000000, -0.0000534600000000, -0.0007540600000000 ] - [ -0.0017802400000000, -0.0000024200000000, -0.0005979500000000 ] - [ -0.0016932800000000, 0.0000000000000000, -0.0003200300000000 ] - [ -0.0017802400000000, 0.0000024200000000, -0.0005979500000000 ] - [ 0.0025797900000000, 0.0000000000000000, 0.0013572600000000 ] - [ -0.0003572000000000, -0.0002607600000000, 0.0009580400000000 ] - [ -0.0003572000000000, 0.0002607600000000, 0.0009580400000000 ] - [ -0.0008859200000000, -0.0000017000000000, -0.0008912000000000 ] - [ 0.0000432500000000, 0.0000000000000000, 0.0000430200000000 ] - [ -0.0008859200000000, 0.0000017000000000, -0.0008912000000000 ] - [ 0.0009648200000000, 0.0000000000000000, 0.0011313400000000 ] - [ 0.0001568100000000, -0.0001651400000000, 0.0002852500000000 ] - [ 0.0001568100000000, 0.0001651400000000, 0.0002852500000000 ] - [ -0.0047092500000000, 0.0000000000000000, 0.0079135000000000 ] - [ -0.0003810600000000, 0.0002285600000000, 0.0009194200000000 ] - [ -0.0003810600000000, -0.0002285600000000, 0.0009194200000000 ] - [ 0.0123361200000000, 0.0000000000000000, 0.0136514900000000 ] - [ 0.0005628500000000, -0.0001299400000000, 0.0006592300000000 ] - [ 0.0005628500000000, 0.0001299400000000, 0.0006592300000000 ] - [ -0.0049769700000000, 0.0000000000000000, -0.0042894900000000 ] - [ -0.0004130100000000, 0.0001046800000000, -0.0003924200000000 ] - [ -0.0004130100000000, -0.0001046800000000, -0.0003924200000000 ] - [ -0.0010091900000000, -0.0001051200000000, -0.0006039700000000 ] - [ -0.0002859300000000, 0.0000000000000000, -0.0000641800000000 ] - [ -0.0010091900000000, 0.0001051200000000, -0.0006039700000000 ] - [ 0.0006118900000000, 0.0000900200000000, -0.0013122000000000 ] - [ 0.0001120000000000, 0.0000000000000000, -0.0002967700000000 ] - [ 0.0006118900000000, -0.0000900200000000, -0.0013122000000000 ] - [ 0.0005805400000000, 0.0000690700000000, 0.0003661100000000 ] - [ -0.0001266500000000, 0.0000000000000000, -0.0001464100000000 ] - [ 0.0005805400000000, -0.0000690700000000, 0.0003661100000000 ] - [ -0.0462595800000000, 0.0000000000000000, -0.1095880700000000 ] - [ -0.0021746100000000, -0.0014232900000000, -0.0067071800000000 ] - [ -0.0021746100000000, 0.0014232900000000, -0.0067071800000000 ] - [ -0.0021497000000000, -0.0025810300000000, 0.0025728800000000 ] - [ -0.0003093000000000, 0.0000000000000000, -0.0009126800000000 ] - [ -0.0021497000000000, 0.0025810300000000, 0.0025728800000000 ] - [ 0.0346460200000000, 0.0000000000000000, -0.0137666600000000 ] - [ -0.0001444100000000, 0.0011199300000000, -0.0011556800000000 ] - [ -0.0001444100000000, -0.0011199300000000, -0.0011556800000000 ] - [ -0.0028815300000000, 0.0019553600000000, 0.0093769600000000 ] - [ -0.0005158900000000, 0.0000000000000000, 0.0018387900000000 ] - [ -0.0028815300000000, -0.0019553600000000, 0.0093769600000000 ] - [ -0.0095344100000000, 0.0000000000000000, 0.0166371000000000 ] - [ -0.0017401800000000, -0.0002575100000000, 0.0031455000000000 ] - [ -0.0017401800000000, 0.0002575100000000, 0.0031455000000000 ] - [ 0.0057427400000000, 0.0006732300000000, -0.0070926100000000 ] - [ 0.0009467200000000, 0.0000000000000000, -0.0012632400000000 ] - [ 0.0057427400000000, -0.0006732300000000, -0.0070926100000000 ] - [ 0.0126101500000000, 0.0000000000000000, 0.0005528100000000 ] - [ 0.0006199800000000, -0.0005971600000000, -0.0000942000000000 ] - [ 0.0006199800000000, 0.0005971600000000, -0.0000942000000000 ] - [ -0.0011959500000000, -0.0008701300000000, 0.0000407200000000 ] - [ 0.0001558900000000, 0.0000000000000000, -0.0001289100000000 ] - [ -0.0011959500000000, 0.0008701300000000, 0.0000407200000000 ] - [ 0.0071874600000000, 0.0000000000000000, -0.0175182800000000 ] - [ 0.0035134500000000, -0.0020615400000000, -0.0024793600000000 ] - [ 0.0035134500000000, 0.0020615400000000, -0.0024793600000000 ] - [ -0.0038721100000000, -0.0186799700000000, 0.0079809100000000 ] - [ -0.0013415200000000, 0.0000000000000000, 0.0011988900000000 ] - [ -0.0038721100000000, 0.0186799700000000, 0.0079809100000000 ] - [ 0.0116207400000000, 0.0000000000000000, 0.0115496700000000 ] - [ -0.0007969800000000, 0.0040543300000000, -0.0012304200000000 ] - [ -0.0007969800000000, -0.0040543300000000, -0.0012304200000000 ] - [ -0.0010648500000000, 0.0113058900000000, 0.0064855400000000 ] - [ -0.0005985800000000, 0.0000000000000000, 0.0015041500000000 ] - [ -0.0010648500000000, -0.0113058900000000, 0.0064855400000000 ] - [ -0.0062664000000000, 0.0000000000000000, 0.0146258100000000 ] - [ -0.0000712500000000, -0.0012779100000000, 0.0025109300000000 ] - [ -0.0000712500000000, 0.0012779100000000, 0.0025109300000000 ] - [ -0.0015311500000000, -0.0050854800000000, -0.0182533000000000 ] - [ 0.0005004100000000, 0.0000000000000000, 0.0001951200000000 ] - [ -0.0015311500000000, 0.0050854800000000, -0.0182533000000000 ] - [ -0.0002560700000000, -0.0000075100000000, 0.0002521500000000 ] - [ -0.0002113600000000, 0.0000000000000000, 0.0001929300000000 ] - [ -0.0002560700000000, 0.0000075100000000, 0.0002521500000000 ] - [ -0.0003527900000000, 0.0000000000000000, -0.0020166200000000 ] - [ 0.0000696400000000, -0.0000116900000000, -0.0007223800000000 ] - [ 0.0000696400000000, 0.0000116900000000, -0.0007223800000000 ] - [ -0.0002815200000000, -0.0000230100000000, -0.0003903300000000 ] - [ 0.0001319900000000, 0.0000000000000000, -0.0000508200000000 ] - [ -0.0002815200000000, 0.0000230100000000, -0.0003903300000000 ] - [ 0.0037123000000000, 0.0000000000000000, 0.0029813400000000 ] - [ 0.0007425000000000, -0.0000713900000000, 0.0004231200000000 ] - [ 0.0007425000000000, 0.0000713900000000, 0.0004231200000000 ] - [ 0.0011874800000000, 0.0000527600000000, 0.0006924700000000 ] - [ 0.0004992800000000, 0.0000000000000000, 0.0003794900000000 ] - [ 0.0011874800000000, -0.0000527600000000, 0.0006924700000000 ] - [ -0.0019115000000000, 0.0000000000000000, 0.0001810000000000 ] - [ -0.0004482800000000, 0.0000913200000000, -0.0000706200000000 ] - [ -0.0004482800000000, -0.0000913200000000, -0.0000706200000000 ] - [ -0.0000874100000000, -0.0000362000000000, 0.0013742200000000 ] - [ -0.0003735200000000, 0.0000000000000000, 0.0003385800000000 ] - [ -0.0000874100000000, 0.0000362000000000, 0.0013742200000000 ] - [ -0.0075410000000000, 0.0000000000000000, -0.0107625400000000 ] - [ 0.0000020200000000, 0.0000062600000000, -0.0010860200000000 ] - [ 0.0000020200000000, -0.0000062600000000, -0.0010860200000000 ] - [ 0.0007296600000000, 0.0003879200000000, -0.0009967300000000 ] - [ 0.0009614900000000, 0.0000000000000000, -0.0009614600000000 ] - [ 0.0007296600000000, -0.0003879200000000, -0.0009967300000000 ] - [ 0.0008309300000000, 0.0000000000000000, 0.0006637900000000 ] - [ 0.0007076300000000, 0.0000005600000000, 0.0006482300000000 ] - [ 0.0007076300000000, -0.0000005600000000, 0.0006482300000000 ] - [ 0.0003872100000000, -0.0000727600000000, 0.0001609100000000 ] - [ 0.0004045200000000, 0.0000000000000000, 0.0001001100000000 ] - [ 0.0003872100000000, 0.0000727600000000, 0.0001609100000000 ] - [ -0.0004412200000000, 0.0000000000000000, 0.0001165800000000 ] - [ -0.0006440600000000, -0.0000147100000000, -0.0000055300000000 ] - [ -0.0006440600000000, 0.0000147100000000, -0.0000055300000000 ] - [ 0.0019197900000000, -0.0001037100000000, -0.0001082800000000 ] - [ 0.0017891900000000, 0.0000000000000000, -0.0001193500000000 ] - [ 0.0019197900000000, 0.0001037100000000, -0.0001082800000000 ] - [ -0.0013967300000000, 0.0000000000000000, 0.0006046600000000 ] - [ -0.0010515600000000, 0.0000201100000000, 0.0005367400000000 ] - [ -0.0010515600000000, -0.0000201100000000, 0.0005367400000000 ]- atom: 4 displacement: [ 0.0099999983408567, 0.0000000000000000, 0.0000057604567923 ] forces: - [ -0.0142027300000000, -0.0042922300000000, -0.0142308600000000 ] - [ -0.0142027300000000, 0.0042922300000000, -0.0142308600000000 ] - [ -0.0038284800000000, 0.0000000000000000, -0.0032811000000000 ] - [ -0.2233653700000000, 0.0000000000000000, -0.0402370700000000 ] - [ -0.0099861800000000, -0.0045699200000000, -0.0024032500000000 ] - [ -0.0099861800000000, 0.0045699200000000, -0.0024032500000000 ] - [ -0.0095681600000000, 0.0064311000000000, 0.0137133500000000 ] - [ -0.0095681600000000, -0.0064311000000000, 0.0137133500000000 ] - [ -0.0011709200000000, 0.0000000000000000, 0.0025085000000000 ] - [ -0.0170605900000000, 0.0000000000000000, -0.0701408300000000 ] - [ -0.0028284200000000, 0.0062975000000000, 0.0005952200000000 ] - [ -0.0028284200000000, -0.0062975000000000, 0.0005952200000000 ] - [ 0.0127274700000000, 0.0504684300000000, -0.0093075300000000 ] - [ 0.0127274700000000, -0.0504684300000000, -0.0093075300000000 ] - [ -0.0001266600000000, 0.0000000000000000, -0.0022480100000000 ] - [ -0.0018561400000000, 0.0000000000000000, 0.0197109700000000 ] - [ -0.0028111300000000, 0.0053134700000000, -0.0026802200000000 ] - [ -0.0028111300000000, -0.0053134700000000, -0.0026802200000000 ] - [ 0.0051435600000000, 0.0000000000000000, 0.0026980900000000 ] - [ 0.0021171400000000, 0.0004053100000000, 0.0009888200000000 ] - [ 0.0021171400000000, -0.0004053100000000, 0.0009888200000000 ] - [ 0.0041772100000000, -0.0009759100000000, 0.0004850900000000 ] - [ 0.0041772100000000, 0.0009759100000000, 0.0004850900000000 ] - [ 0.0021102200000000, 0.0000000000000000, 0.0004024300000000 ] - [ 0.0065754600000000, 0.0000000000000000, -0.0003404200000000 ] - [ 0.0024568000000000, 0.0007924700000000, -0.0002805600000000 ] - [ 0.0024568000000000, -0.0007924700000000, -0.0002805600000000 ] - [ 0.0021952500000000, -0.0003986900000000, 0.0004025500000000 ] - [ 0.0021952500000000, 0.0003986900000000, 0.0004025500000000 ] - [ 0.0009726400000000, 0.0000000000000000, 0.0000447900000000 ] - [ 0.0127267400000000, 0.0000000000000000, 0.0002571400000000 ] - [ 0.0001034100000000, 0.0021267300000000, 0.0004370700000000 ] - [ 0.0001034100000000, -0.0021267300000000, 0.0004370700000000 ] - [ 0.0037455000000000, -0.0002664500000000, 0.0010917500000000 ] - [ 0.0037455000000000, 0.0002664500000000, 0.0010917500000000 ] - [ 0.0019404100000000, 0.0000000000000000, 0.0008749700000000 ] - [ 0.0237589500000000, 0.0000000000000000, 0.0137560700000000 ] - [ -0.0004281500000000, 0.0008894800000000, -0.0002961800000000 ] - [ -0.0004281500000000, -0.0008894800000000, -0.0002961800000000 ] - [ 0.0021729800000000, -0.0002890900000000, 0.0016362000000000 ] - [ 0.0021729800000000, 0.0002890900000000, 0.0016362000000000 ] - [ 0.0009138600000000, 0.0000000000000000, 0.0008002900000000 ] - [ 0.0013188000000000, 0.0002007200000000, -0.0039746100000000 ] - [ 0.0013188000000000, -0.0002007200000000, -0.0039746100000000 ] - [ 0.0005422100000000, 0.0000000000000000, -0.0015530100000000 ] - [ 0.0004008300000000, 0.0000818400000000, -0.0001188800000000 ] - [ 0.0004008300000000, -0.0000818400000000, -0.0001188800000000 ] - [ 0.0002930600000000, 0.0000000000000000, 0.0000164600000000 ] - [ 0.0037409300000000, 0.0001486400000000, 0.0032741600000000 ] - [ 0.0037409300000000, -0.0001486400000000, 0.0032741600000000 ] - [ 0.0017413100000000, 0.0000000000000000, 0.0015052800000000 ] - [ 0.0042280800000000, 0.0000000000000000, 0.0018707900000000 ] - [ -0.0000378400000000, 0.0003171100000000, 0.0000436900000000 ] - [ -0.0000378400000000, -0.0003171100000000, 0.0000436900000000 ] - [ 0.0009328300000000, 0.0000000000000000, 0.0020586900000000 ] - [ -0.0000680400000000, 0.0004287300000000, 0.0002550400000000 ] - [ -0.0000680400000000, -0.0004287300000000, 0.0002550400000000 ] - [ 0.0030513400000000, 0.0000000000000000, 0.0013774200000000 ] - [ -0.0000042600000000, 0.0001539500000000, -0.0000692400000000 ] - [ -0.0000042600000000, -0.0001539500000000, -0.0000692400000000 ] - [ 0.0058994900000000, -0.0028279100000000, 0.0203582500000000 ] - [ 0.0058994900000000, 0.0028279100000000, 0.0203582500000000 ] - [ 0.0013655900000000, 0.0000000000000000, 0.0051731600000000 ] - [ 0.0355299600000000, 0.0000000000000000, 0.0540309400000000 ] - [ 0.0034036200000000, -0.0009070000000000, 0.0057221400000000 ] - [ 0.0034036200000000, 0.0009070000000000, 0.0057221400000000 ] - [ 0.0027228900000000, 0.0000838800000000, -0.0021104200000000 ] - [ 0.0027228900000000, -0.0000838800000000, -0.0021104200000000 ] - [ 0.0006730900000000, 0.0000000000000000, -0.0008003400000000 ] - [ 0.0749278800000000, 0.0000000000000000, 0.0071330600000000 ] - [ 0.0044660800000000, -0.0014198000000000, -0.0022350000000000 ] - [ 0.0044660800000000, 0.0014198000000000, -0.0022350000000000 ] - [ 0.0011468300000000, -0.0026412900000000, -0.0061172000000000 ] - [ 0.0011468300000000, 0.0026412900000000, -0.0061172000000000 ] - [ 0.0001721600000000, 0.0000000000000000, -0.0014907700000000 ] - [ -0.0064409800000000, 0.0000000000000000, 0.0054976200000000 ] - [ 0.0008557200000000, -0.0010083300000000, 0.0001084000000000 ] - [ 0.0008557200000000, 0.0010083300000000, 0.0001084000000000 ] - [ -0.0072419300000000, -0.0018118400000000, 0.0013945200000000 ] - [ -0.0072419300000000, 0.0018118400000000, 0.0013945200000000 ] - [ -0.0027742200000000, 0.0000000000000000, 0.0004540700000000 ] - [ -0.0036562900000000, 0.0000000000000000, -0.0023813600000000 ] - [ 0.0010171800000000, -0.0005624900000000, -0.0003134600000000 ] - [ 0.0010171800000000, 0.0005624900000000, -0.0003134600000000 ] - [ 0.0065058900000000, 0.0095370100000000, -0.0023982000000000 ] - [ 0.0065058900000000, -0.0095370100000000, -0.0023982000000000 ] - [ 0.0032047500000000, 0.0000000000000000, -0.0005276400000000 ] - [ 0.0236898600000000, 0.0000000000000000, -0.0008178800000000 ] - [ 0.0047264300000000, 0.0088312500000000, -0.0001074100000000 ] - [ 0.0047264300000000, -0.0088312500000000, -0.0001074100000000 ] - [ 0.0089796900000000, 0.0115383800000000, 0.0043066200000000 ] - [ 0.0089796900000000, -0.0115383800000000, 0.0043066200000000 ] - [ 0.0025506200000000, 0.0000000000000000, 0.0003094700000000 ] - [ 0.0164609800000000, 0.0000000000000000, -0.0048081500000000 ] - [ 0.0017045100000000, 0.0011990600000000, -0.0014108400000000 ] - [ 0.0017045100000000, -0.0011990600000000, -0.0014108400000000 ] - [ 0.0237595800000000, 0.0125481400000000, 0.0032581300000000 ] - [ 0.0237595800000000, -0.0125481400000000, 0.0032581300000000 ] - [ 0.0023330600000000, 0.0000000000000000, -0.0015764800000000 ] - [ 0.0073786400000000, 0.0000000000000000, 0.0078755500000000 ] - [ 0.0009322400000000, -0.0008484700000000, 0.0017742800000000 ] - [ 0.0009322400000000, 0.0008484700000000, 0.0017742800000000 ] - [ -0.0030780800000000, 0.0000000000000000, -0.0042447800000000 ] - [ -0.0009366300000000, -0.0002280900000000, -0.0013452700000000 ] - [ -0.0009366300000000, 0.0002280900000000, -0.0013452700000000 ] - [ -0.0013438800000000, 0.0000925300000000, -0.0021846100000000 ] - [ -0.0013438800000000, -0.0000925300000000, -0.0021846100000000 ] - [ -0.0007647700000000, 0.0000000000000000, -0.0015854800000000 ] - [ -0.0028687700000000, 0.0000000000000000, -0.0010713100000000 ] - [ -0.0005170300000000, -0.0001659700000000, 0.0000983800000000 ] - [ -0.0005170300000000, 0.0001659700000000, 0.0000983800000000 ] - [ -0.0030876200000000, 0.0000232300000000, -0.0012390400000000 ] - [ -0.0030876200000000, -0.0000232300000000, -0.0012390400000000 ] - [ -0.0013469300000000, 0.0000000000000000, -0.0005570600000000 ] - [ -0.0057132700000000, 0.0000000000000000, -0.0001501000000000 ] - [ -0.0005590700000000, -0.0004183500000000, 0.0005351500000000 ] - [ -0.0005590700000000, 0.0004183500000000, 0.0005351500000000 ] - [ -0.0025447000000000, 0.0000121900000000, -0.0008695300000000 ] - [ -0.0025447000000000, -0.0000121900000000, -0.0008695300000000 ] - [ -0.0013934300000000, 0.0000000000000000, -0.0003724100000000 ] - [ -0.0186412400000000, 0.0000000000000000, -0.0071117300000000 ] - [ -0.0007096700000000, -0.0008807700000000, 0.0002534500000000 ] - [ -0.0007096700000000, 0.0008807700000000, 0.0002534500000000 ] - [ -0.0029867200000000, -0.0001243300000000, 0.0020194400000000 ] - [ -0.0029867200000000, 0.0001243300000000, 0.0020194400000000 ] - [ -0.0015744200000000, 0.0000000000000000, 0.0006706000000000 ] - [ -0.0011924600000000, 0.0000000000000000, -0.0009272300000000 ] - [ -0.0001766500000000, 0.0001352700000000, -0.0009341600000000 ] - [ -0.0001766500000000, -0.0001352700000000, -0.0009341600000000 ] - [ -0.0017842100000000, 0.0029410300000000, 0.0006737900000000 ] - [ -0.0017842100000000, -0.0029410300000000, 0.0006737900000000 ] - [ -0.0004843400000000, 0.0000000000000000, 0.0006765400000000 ] - [ -0.0016800700000000, 0.0000000000000000, -0.0004092200000000 ] - [ -0.0005128200000000, -0.0000473400000000, -0.0001174200000000 ] - [ -0.0005128200000000, 0.0000473400000000, -0.0001174200000000 ] - [ -0.0021849500000000, 0.0012291700000000, -0.0002511300000000 ] - [ -0.0021849500000000, -0.0012291700000000, -0.0002511300000000 ] - [ -0.0015672500000000, 0.0000000000000000, -0.0001801200000000 ] - [ -0.0013112800000000, 0.0000000000000000, -0.0000257900000000 ] - [ 0.0007770100000000, -0.0003762100000000, -0.0001464000000000 ] - [ 0.0007770100000000, 0.0003762100000000, -0.0001464000000000 ] - [ -0.0022913800000000, 0.0007226500000000, 0.0001369200000000 ] - [ -0.0022913800000000, -0.0007226500000000, 0.0001369200000000 ] - [ -0.0018039300000000, 0.0000000000000000, 0.0002933700000000 ]- atom: 4 displacement: [ -0.0099999983408567, 0.0000000000000000, -0.0000057604567923 ] forces: - [ 0.0147391900000000, 0.0043262400000000, 0.0145084200000000 ] - [ 0.0147391900000000, -0.0043262400000000, 0.0145084200000000 ] - [ 0.0042356400000000, 0.0000000000000000, 0.0034942200000000 ] - [ 0.2210543200000000, 0.0000000000000000, 0.0413116700000000 ] - [ 0.0096887800000000, 0.0044960100000000, 0.0021234000000000 ] - [ 0.0096887800000000, -0.0044960100000000, 0.0021234000000000 ] - [ 0.0117592000000000, -0.0065525700000000, -0.0136248700000000 ] - [ 0.0117592000000000, 0.0065525700000000, -0.0136248700000000 ] - [ 0.0032676500000000, 0.0000000000000000, -0.0024268900000000 ] - [ 0.0158302600000000, 0.0000000000000000, 0.0694103100000000 ] - [ 0.0015666900000000, -0.0062912000000000, -0.0010607400000000 ] - [ 0.0015666900000000, 0.0062912000000000, -0.0010607400000000 ] - [ -0.0156622600000000, -0.0512570900000000, 0.0091398600000000 ] - [ -0.0156622600000000, 0.0512570900000000, 0.0091398600000000 ] - [ -0.0026933300000000, 0.0000000000000000, 0.0019949400000000 ] - [ 0.0009559700000000, 0.0000000000000000, -0.0191678900000000 ] - [ 0.0020956200000000, -0.0053768300000000, 0.0038133900000000 ] - [ 0.0020956200000000, 0.0053768300000000, 0.0038133900000000 ] - [ -0.0048226900000000, 0.0000000000000000, -0.0025121600000000 ] - [ -0.0017651300000000, -0.0004068400000000, -0.0007995900000000 ] - [ -0.0017651300000000, 0.0004068400000000, -0.0007995900000000 ] - [ -0.0045161400000000, 0.0009797600000000, -0.0007400300000000 ] - [ -0.0045161400000000, -0.0009797600000000, -0.0007400300000000 ] - [ -0.0024393200000000, 0.0000000000000000, -0.0006564500000000 ] - [ -0.0045306900000000, 0.0000000000000000, 0.0004013600000000 ] - [ -0.0003953000000000, -0.0007964200000000, 0.0003555400000000 ] - [ -0.0003953000000000, 0.0007964200000000, 0.0003555400000000 ] - [ -0.0034978700000000, 0.0004002600000000, -0.0008623400000000 ] - [ -0.0034978700000000, -0.0004002600000000, -0.0008623400000000 ] - [ -0.0022602600000000, 0.0000000000000000, -0.0005007400000000 ] - [ -0.0155722100000000, 0.0000000000000000, -0.0005216100000000 ] - [ -0.0029537300000000, -0.0021277700000000, -0.0006964900000000 ] - [ -0.0029537300000000, 0.0021277700000000, -0.0006964900000000 ] - [ -0.0044835000000000, 0.0002660100000000, 0.0000555500000000 ] - [ -0.0044835000000000, -0.0002660100000000, 0.0000555500000000 ] - [ -0.0026602300000000, 0.0000000000000000, 0.0002768900000000 ] - [ -0.0228434800000000, 0.0000000000000000, -0.0129878800000000 ] - [ 0.0010715300000000, -0.0008863400000000, 0.0009507500000000 ] - [ 0.0010715300000000, 0.0008863400000000, 0.0009507500000000 ] - [ -0.0021738000000000, 0.0002924500000000, -0.0013157300000000 ] - [ -0.0021738000000000, -0.0002924500000000, -0.0013157300000000 ] - [ -0.0008946900000000, 0.0000000000000000, -0.0004655600000000 ] - [ -0.0012068000000000, -0.0002014500000000, 0.0035468000000000 ] - [ -0.0012068000000000, 0.0002014500000000, 0.0035468000000000 ] - [ -0.0004222000000000, 0.0000000000000000, 0.0011100300000000 ] - [ -0.0006262600000000, -0.0000829100000000, -0.0002352100000000 ] - [ -0.0006262600000000, 0.0000829100000000, -0.0002352100000000 ] - [ -0.0005135300000000, 0.0000000000000000, -0.0003677000000000 ] - [ -0.0031187500000000, -0.0001481800000000, -0.0026324200000000 ] - [ -0.0031187500000000, 0.0001481800000000, -0.0026324200000000 ] - [ -0.0011028000000000, 0.0000000000000000, -0.0008548400000000 ] - [ -0.0042350800000000, 0.0000000000000000, -0.0015612500000000 ] - [ 0.0000524500000000, -0.0003176400000000, 0.0002864300000000 ] - [ 0.0000524500000000, 0.0003176400000000, 0.0002864300000000 ] - [ -0.0008576800000000, 0.0000000000000000, -0.0023829200000000 ] - [ 0.0001855000000000, -0.0004292600000000, -0.0006921400000000 ] - [ 0.0001855000000000, 0.0004292600000000, -0.0006921400000000 ] - [ -0.0033457000000000, 0.0000000000000000, -0.0017593300000000 ] - [ -0.0002294400000000, -0.0001555800000000, -0.0002925500000000 ] - [ -0.0002294400000000, 0.0001555800000000, -0.0002925500000000 ] - [ -0.0064793300000000, 0.0028907100000000, -0.0203934200000000 ] - [ -0.0064793300000000, -0.0028907100000000, -0.0203934200000000 ] - [ -0.0018898000000000, 0.0000000000000000, -0.0050239900000000 ] - [ -0.0357197900000000, 0.0000000000000000, -0.0539871900000000 ] - [ -0.0033983700000000, 0.0009113600000000, -0.0068172800000000 ] - [ -0.0033983700000000, -0.0009113600000000, -0.0068172800000000 ] - [ -0.0026041200000000, -0.0000754100000000, 0.0020980800000000 ] - [ -0.0026041200000000, 0.0000754100000000, 0.0020980800000000 ] - [ -0.0005409500000000, 0.0000000000000000, 0.0007705600000000 ] - [ -0.0695219400000000, 0.0000000000000000, -0.0099229600000000 ] - [ -0.0040975700000000, 0.0014087000000000, 0.0020579800000000 ] - [ -0.0040975700000000, -0.0014087000000000, 0.0020579800000000 ] - [ -0.0009527800000000, 0.0026886800000000, 0.0066345300000000 ] - [ -0.0009527800000000, -0.0026886800000000, 0.0066345300000000 ] - [ 0.0000325800000000, 0.0000000000000000, 0.0019521300000000 ] - [ 0.0061799600000000, 0.0000000000000000, -0.0056665300000000 ] - [ -0.0011466800000000, 0.0010140200000000, -0.0003255300000000 ] - [ -0.0011466800000000, -0.0010140200000000, -0.0003255300000000 ] - [ 0.0060292400000000, 0.0018225800000000, -0.0011145100000000 ] - [ 0.0060292400000000, -0.0018225800000000, -0.0011145100000000 ] - [ 0.0015548400000000, 0.0000000000000000, -0.0001692000000000 ] - [ 0.0040136900000000, 0.0000000000000000, 0.0022941900000000 ] - [ -0.0008358200000000, 0.0005671900000000, 0.0002517000000000 ] - [ -0.0008358200000000, -0.0005671900000000, 0.0002517000000000 ] - [ -0.0046553600000000, -0.0096639400000000, 0.0005946500000000 ] - [ -0.0046553600000000, 0.0096639400000000, 0.0005946500000000 ] - [ -0.0013208600000000, 0.0000000000000000, -0.0013132500000000 ] - [ -0.0257954900000000, 0.0000000000000000, 0.0026158300000000 ] - [ -0.0036985500000000, -0.0089437700000000, 0.0013422300000000 ] - [ -0.0036985500000000, 0.0089437700000000, 0.0013422300000000 ] - [ -0.0083528900000000, -0.0115410900000000, -0.0041831000000000 ] - [ -0.0083528900000000, 0.0115410900000000, -0.0041831000000000 ] - [ -0.0019101800000000, 0.0000000000000000, -0.0002095600000000 ] - [ -0.0180308400000000, 0.0000000000000000, 0.0049781300000000 ] - [ -0.0033002100000000, -0.0011958300000000, 0.0012679100000000 ] - [ -0.0033002100000000, 0.0011958300000000, 0.0012679100000000 ] - [ -0.0202634700000000, -0.0126647700000000, -0.0036307000000000 ] - [ -0.0202634700000000, 0.0126647700000000, -0.0036307000000000 ] - [ 0.0008923800000000, 0.0000000000000000, 0.0012443000000000 ] - [ -0.0095436700000000, 0.0000000000000000, -0.0068384400000000 ] - [ -0.0030399200000000, 0.0008534700000000, -0.0007793200000000 ] - [ -0.0030399200000000, -0.0008534700000000, -0.0007793200000000 ] - [ 0.0025794000000000, 0.0000000000000000, 0.0044410500000000 ] - [ 0.0004288700000000, 0.0002288100000000, 0.0015253300000000 ] - [ 0.0004288700000000, -0.0002288100000000, 0.0015253300000000 ] - [ 0.0013566400000000, -0.0000927800000000, 0.0010913200000000 ] - [ 0.0013566400000000, 0.0000927800000000, 0.0010913200000000 ] - [ 0.0007760500000000, 0.0000000000000000, 0.0004948900000000 ] - [ 0.0030597200000000, 0.0000000000000000, 0.0010699700000000 ] - [ 0.0006636500000000, 0.0001670600000000, -0.0001138800000000 ] - [ 0.0006636500000000, -0.0001670600000000, -0.0001138800000000 ] - [ 0.0034661500000000, -0.0000228900000000, 0.0010702800000000 ] - [ 0.0034661500000000, 0.0000228900000000, 0.0010702800000000 ] - [ 0.0017174500000000, 0.0000000000000000, 0.0003814400000000 ] - [ 0.0059508100000000, 0.0000000000000000, 0.0006179700000000 ] - [ 0.0007853300000000, 0.0004194800000000, -0.0000805000000000 ] - [ 0.0007853300000000, -0.0004194800000000, -0.0000805000000000 ] - [ 0.0022820400000000, -0.0000122400000000, 0.0006389400000000 ] - [ 0.0022820400000000, 0.0000122400000000, 0.0006389400000000 ] - [ 0.0011157900000000, 0.0000000000000000, 0.0001331600000000 ] - [ 0.0174002800000000, 0.0000000000000000, 0.0072825300000000 ] - [ -0.0005079000000000, 0.0008787900000000, 0.0000261400000000 ] - [ -0.0005079000000000, -0.0008787900000000, 0.0000261400000000 ] - [ 0.0031720000000000, 0.0001253600000000, -0.0020912500000000 ] - [ 0.0031720000000000, -0.0001253600000000, -0.0020912500000000 ] - [ 0.0017422300000000, 0.0000000000000000, -0.0007345100000000 ] - [ 0.0031194000000000, 0.0000000000000000, -0.0009230300000000 ] - [ 0.0020986100000000, -0.0001370500000000, -0.0009164000000000 ] - [ 0.0020986100000000, 0.0001370500000000, -0.0009164000000000 ] - [ 0.0028854100000000, -0.0029476100000000, 0.0005518400000000 ] - [ 0.0028854100000000, 0.0029476100000000, 0.0005518400000000 ] - [ 0.0015836500000000, 0.0000000000000000, 0.0005485100000000 ] - [ 0.0023442400000000, 0.0000000000000000, 0.0005098200000000 ] - [ 0.0011685600000000, 0.0000454300000000, 0.0002151900000000 ] - [ 0.0011685600000000, -0.0000454300000000, 0.0002151900000000 ] - [ 0.0006244000000000, -0.0012384300000000, 0.0001369000000000 ] - [ 0.0006244000000000, 0.0012384300000000, 0.0001369000000000 ] - [ 0.0000027600000000, 0.0000000000000000, 0.0000639100000000 ] - [ 0.0045927600000000, 0.0000000000000000, -0.0002897100000000 ] - [ 0.0024967000000000, 0.0003737700000000, -0.0001746100000000 ] - [ 0.0024967000000000, -0.0003737700000000, -0.0001746100000000 ] - [ 0.0002159800000000, -0.0007225900000000, 0.0008605100000000 ] - [ 0.0002159800000000, 0.0007225900000000, 0.0008605100000000 ] - [ -0.0002756500000000, 0.0000000000000000, 0.0007036500000000 ]- atom: 4 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0039909800000000, -0.0024549300000000, -0.0043550700000000 ] - [ 0.0045786500000000, -0.0025186700000000, 0.0045956800000000 ] - [ 0.0002081500000000, 0.0054556500000000, 0.0001046800000000 ] - [ 0.0014488500000000, -0.1956036200000000, 0.0009093200000000 ] - [ 0.0043922200000000, 0.0439081100000000, 0.0042095000000000 ] - [ -0.0046661000000000, 0.0435008100000000, -0.0044597000000000 ] - [ 0.0063177300000000, -0.0041527000000000, 0.0328005000000000 ] - [ -0.0042846200000000, -0.0041034100000000, -0.0331525300000000 ] - [ 0.0010392700000000, 0.0106386200000000, 0.0000223500000000 ] - [ -0.0005465700000000, -0.0115007900000000, -0.0000037000000000 ] - [ 0.0004797500000000, 0.0045878700000000, -0.0068449500000000 ] - [ -0.0017056500000000, 0.0046320400000000, 0.0063015800000000 ] - [ 0.0366772500000000, -0.0058568400000000, -0.0107847400000000 ] - [ -0.0400444500000000, -0.0057897200000000, 0.0107185100000000 ] - [ -0.0014284700000000, 0.0148793200000000, -0.0001170000000000 ] - [ -0.0004300000000000, -0.0081973400000000, 0.0001581900000000 ] - [ 0.0011425500000000, 0.0034364300000000, 0.0074883400000000 ] - [ -0.0018464600000000, 0.0035785500000000, -0.0062781100000000 ] - [ 0.0001539400000000, -0.0010781300000000, 0.0000835200000000 ] - [ 0.0005181600000000, 0.0005358100000000, 0.0002554600000000 ] - [ -0.0001690300000000, 0.0005418800000000, -0.0000699000000000 ] - [ 0.0008020700000000, -0.0004371600000000, 0.0000232200000000 ] - [ -0.0011536100000000, -0.0004497400000000, -0.0002772100000000 ] - [ -0.0001682200000000, 0.0008853000000000, -0.0001272800000000 ] - [ 0.0010126800000000, -0.0009964400000000, 0.0000359900000000 ] - [ 0.0016805100000000, 0.0004923500000000, 0.0001956500000000 ] - [ 0.0003801200000000, 0.0005031400000000, -0.0001173500000000 ] - [ 0.0006168000000000, -0.0004896800000000, 0.0000592900000000 ] - [ -0.0019232400000000, -0.0004964800000000, -0.0005161100000000 ] - [ -0.0006475500000000, 0.0009872800000000, -0.0002280400000000 ] - [ -0.0014770600000000, -0.0013751900000000, -0.0001275700000000 ] - [ 0.0005608400000000, 0.0006728300000000, -0.0001965900000000 ] - [ -0.0034057000000000, 0.0006927800000000, -0.0000644100000000 ] - [ 0.0019975000000000, -0.0006365500000000, 0.0007956000000000 ] - [ -0.0027445600000000, -0.0006412900000000, 0.0003490200000000 ] - [ -0.0003665200000000, 0.0012780000000000, 0.0005750500000000 ] - [ 0.0002553000000000, -0.0021423700000000, 0.0002995700000000 ] - [ 0.0023181300000000, 0.0004461600000000, 0.0017320100000000 ] - [ -0.0016526500000000, 0.0004493200000000, -0.0010615200000000 ] - [ 0.0018325000000000, -0.0001350300000000, 0.0017375500000000 ] - [ -0.0018365000000000, -0.0001343000000000, -0.0014234000000000 ] - [ 0.0000049400000000, 0.0001246000000000, 0.0001637900000000 ] - [ 0.0004936200000000, -0.0001776100000000, -0.0019925700000000 ] - [ -0.0003761500000000, -0.0001789300000000, 0.0015669200000000 ] - [ 0.0000589300000000, 0.0002161100000000, -0.0002189000000000 ] - [ 0.0015306500000000, -0.0001177400000000, 0.0008186800000000 ] - [ -0.0017686400000000, -0.0001187300000000, -0.0011801900000000 ] - [ -0.0001152200000000, 0.0002129500000000, -0.0001791500000000 ] - [ 0.0017874700000000, -0.0001205900000000, 0.0022734000000000 ] - [ -0.0011648900000000, -0.0001259100000000, -0.0016450300000000 ] - [ 0.0003158200000000, 0.0001986800000000, 0.0003225100000000 ] - [ -0.0000047900000000, -0.0001775800000000, 0.0001597600000000 ] - [ 0.0008387400000000, 0.0000760200000000, 0.0006249600000000 ] - [ -0.0008185700000000, 0.0000783700000000, -0.0002907600000000 ] - [ 0.0000431400000000, -0.0006419700000000, -0.0002059900000000 ] - [ 0.0004460000000000, 0.0002291400000000, -0.0005171400000000 ] - [ -0.0003247900000000, 0.0002326900000000, 0.0000749600000000 ] - [ -0.0001425600000000, -0.0000387100000000, -0.0001944000000000 ] - [ 0.0007074000000000, 0.0000495500000000, 0.0002960900000000 ] - [ -0.0009357400000000, 0.0000521200000000, -0.0006550400000000 ] - [ -0.0004554600000000, 0.0008085800000000, 0.0065212400000000 ] - [ -0.0000831300000000, 0.0008218000000000, -0.0064859600000000 ] - [ -0.0002607700000000, -0.0017340500000000, 0.0000735900000000 ] - [ -0.0000943900000000, 0.0183343400000000, -0.0007007000000000 ] - [ -0.0031447900000000, -0.0032264500000000, -0.0108556000000000 ] - [ 0.0031141000000000, -0.0031998900000000, 0.0096661500000000 ] - [ 0.0002365500000000, 0.0007173500000000, -0.0065021200000000 ] - [ -0.0001443800000000, 0.0007082300000000, 0.0065830100000000 ] - [ 0.0000651000000000, -0.0012316500000000, -0.0000010400000000 ] - [ -0.0000502300000000, 0.0122748200000000, -0.0001248900000000 ] - [ -0.0044788800000000, -0.0035051800000000, 0.0051905600000000 ] - [ 0.0047871200000000, -0.0034751100000000, -0.0053174100000000 ] - [ -0.0048075800000000, 0.0007843100000000, -0.0033406200000000 ] - [ 0.0050757500000000, 0.0007899600000000, 0.0038408300000000 ] - [ 0.0001121900000000, -0.0014149100000000, 0.0002317300000000 ] - [ -0.0001451900000000, 0.0011091000000000, -0.0000875600000000 ] - [ -0.0015484200000000, -0.0005167400000000, 0.0000810400000000 ] - [ 0.0012417000000000, -0.0005354100000000, -0.0002900700000000 ] - [ -0.0068651500000000, 0.0005639600000000, -0.0000346200000000 ] - [ 0.0057073600000000, 0.0005546700000000, 0.0003254200000000 ] - [ -0.0006028900000000, -0.0009071600000000, 0.0001420600000000 ] - [ 0.0001460100000000, 0.0006723400000000, -0.0000178000000000 ] - [ -0.0015317000000000, -0.0002943200000000, -0.0002914600000000 ] - [ 0.0016979800000000, -0.0003035700000000, 0.0002297200000000 ] - [ 0.0026204300000000, 0.0032999800000000, -0.0003083700000000 ] - [ -0.0008007100000000, 0.0035510800000000, -0.0014348600000000 ] - [ 0.0009393700000000, -0.0064452600000000, -0.0009284600000000 ] - [ 0.0008807700000000, 0.0297529000000000, 0.0005525500000000 ] - [ 0.0074507700000000, -0.0115618600000000, -0.0011363000000000 ] - [ -0.0063214500000000, -0.0114923200000000, 0.0023516600000000 ] - [ 0.0024860600000000, 0.0028189600000000, -0.0022198400000000 ] - [ -0.0019227500000000, 0.0029457400000000, 0.0023120300000000 ] - [ 0.0003137200000000, -0.0059160000000000, 0.0000567400000000 ] - [ -0.0008043700000000, 0.0213736100000000, 0.0001470400000000 ] - [ 0.0003473500000000, -0.0083419300000000, 0.0044631500000000 ] - [ -0.0019325400000000, -0.0083023500000000, -0.0045418200000000 ] - [ 0.0012090700000000, 0.0449279700000000, 0.0033445800000000 ] - [ 0.0010465600000000, 0.0494583600000000, -0.0044193400000000 ] - [ 0.0016424500000000, -0.0166728800000000, -0.0001518200000000 ] - [ -0.0010864300000000, 0.0059695100000000, 0.0005071100000000 ] - [ -0.0006775300000000, -0.0029359400000000, 0.0009237600000000 ] - [ -0.0014322500000000, -0.0029731300000000, 0.0000764600000000 ] - [ -0.0002407000000000, 0.0002132500000000, 0.0001120500000000 ] - [ -0.0005483500000000, -0.0001040900000000, -0.0001866500000000 ] - [ 0.0000407600000000, -0.0001068400000000, 0.0003712100000000 ] - [ -0.0004414900000000, 0.0001115500000000, -0.0009279700000000 ] - [ 0.0004578900000000, 0.0001131200000000, -0.0001588100000000 ] - [ 0.0000071800000000, -0.0002239500000000, -0.0005427900000000 ] - [ 0.0000953100000000, 0.0001958200000000, -0.0000018400000000 ] - [ -0.0004811900000000, -0.0000989400000000, -0.0003932500000000 ] - [ 0.0006244800000000, -0.0001011300000000, 0.0003732600000000 ] - [ -0.0012269800000000, 0.0001292600000000, -0.0009772700000000 ] - [ 0.0016119600000000, 0.0001311300000000, 0.0008100400000000 ] - [ 0.0001885500000000, -0.0002517000000000, -0.0000860200000000 ] - [ 0.0001292700000000, 0.0002658900000000, 0.0002286100000000 ] - [ -0.0008209500000000, -0.0001272200000000, -0.0000103200000000 ] - [ 0.0010434000000000, -0.0001313300000000, 0.0004613300000000 ] - [ -0.0018758400000000, 0.0001413600000000, -0.0009775100000000 ] - [ 0.0016194100000000, 0.0001426600000000, 0.0007494100000000 ] - [ -0.0001331700000000, -0.0002822000000000, -0.0001183100000000 ] - [ -0.0005428600000000, 0.0007573000000000, 0.0001474700000000 ] - [ -0.0029289100000000, -0.0003632100000000, -0.0002534000000000 ] - [ 0.0016933900000000, -0.0003692300000000, 0.0005290400000000 ] - [ -0.0024895100000000, 0.0001666700000000, 0.0004279700000000 ] - [ 0.0026848600000000, 0.0001678900000000, -0.0004955100000000 ] - [ 0.0000904400000000, -0.0003171800000000, -0.0000314400000000 ] - [ 0.0009657800000000, 0.0016185500000000, -0.0009249500000000 ] - [ 0.0009903900000000, -0.0008074300000000, -0.0009149500000000 ] - [ 0.0009333600000000, -0.0008101100000000, -0.0009353400000000 ] - [ 0.0004798100000000, 0.0006716100000000, 0.0006292000000000 ] - [ 0.0006332700000000, 0.0007013500000000, 0.0005964900000000 ] - [ 0.0005504100000000, -0.0013736800000000, 0.0006126300000000 ] - [ 0.0003337500000000, 0.0011242500000000, 0.0000504500000000 ] - [ 0.0002379300000000, -0.0005603700000000, 0.0000322500000000 ] - [ 0.0004182200000000, -0.0005614200000000, 0.0000648600000000 ] - [ -0.0010862500000000, 0.0004359800000000, -0.0001736500000000 ] - [ -0.0004717500000000, 0.0004516000000000, 0.0000584500000000 ] - [ -0.0007811400000000, -0.0008861800000000, -0.0000579000000000 ] - [ 0.0016465900000000, 0.0008290300000000, -0.0001600500000000 ] - [ 0.0013899500000000, -0.0004131800000000, -0.0001619700000000 ] - [ 0.0018834100000000, -0.0004156000000000, -0.0001590100000000 ] - [ -0.0015127900000000, 0.0003738400000000, 0.0003219700000000 ] - [ -0.0005595200000000, 0.0003791300000000, 0.0006763300000000 ] - [ -0.0010381600000000, -0.0007520300000000, 0.0004987800000000 ]- atom: 4 displacement: [ -0.0020604768976038, 0.0000000000000000, 0.0097854195083523 ] forces: - [ -0.0108863500000000, -0.0028953100000000, 0.0151036600000000 ] - [ -0.0108863500000000, 0.0028953100000000, 0.0151036600000000 ] - [ -0.0020870900000000, 0.0000000000000000, 0.0019725100000000 ] - [ 0.0025786900000000, 0.0000000000000000, -0.3123370600000000 ] - [ -0.0003701700000000, -0.0033510300000000, -0.0060293100000000 ] - [ -0.0003701700000000, 0.0033510300000000, -0.0060293100000000 ] - [ 0.0130833900000000, 0.0321814700000000, 0.0093861000000000 ] - [ 0.0130833900000000, -0.0321814700000000, 0.0093861000000000 ] - [ 0.0026661700000000, 0.0000000000000000, 0.0013154700000000 ] - [ -0.0268361700000000, 0.0000000000000000, 0.0640359900000000 ] - [ -0.0046293800000000, -0.0051041800000000, 0.0026392300000000 ] - [ -0.0046293800000000, 0.0051041800000000, 0.0026392300000000 ] - [ -0.0048774400000000, -0.0217325600000000, -0.0100378800000000 ] - [ -0.0048774400000000, 0.0217325600000000, -0.0100378800000000 ] - [ -0.0011380700000000, 0.0000000000000000, -0.0014285300000000 ] - [ 0.0179946500000000, 0.0000000000000000, 0.0865831000000000 ] - [ 0.0007008300000000, 0.0084655300000000, 0.0019278600000000 ] - [ 0.0007008300000000, -0.0084655300000000, 0.0019278600000000 ] - [ 0.0017152800000000, 0.0000000000000000, -0.0009428100000000 ] - [ 0.0006391100000000, 0.0000975900000000, 0.0000369900000000 ] - [ 0.0006391100000000, -0.0000975900000000, 0.0000369900000000 ] - [ -0.0004484300000000, 0.0000531400000000, 0.0000712900000000 ] - [ -0.0004484300000000, -0.0000531400000000, 0.0000712900000000 ] - [ -0.0001069700000000, 0.0000000000000000, -0.0000640000000000 ] - [ 0.0005209500000000, 0.0000000000000000, 0.0024762800000000 ] - [ 0.0009578500000000, 0.0000944100000000, 0.0004918600000000 ] - [ 0.0009578500000000, -0.0000944100000000, 0.0004918600000000 ] - [ 0.0001260000000000, -0.0001429500000000, -0.0006444500000000 ] - [ 0.0001260000000000, 0.0001429500000000, -0.0006444500000000 ] - [ -0.0002860700000000, 0.0000000000000000, -0.0003239100000000 ] - [ -0.0042162800000000, 0.0000000000000000, -0.0008480300000000 ] - [ -0.0014095100000000, -0.0002757900000000, -0.0004658700000000 ] - [ -0.0014095100000000, 0.0002757900000000, -0.0004658700000000 ] - [ 0.0001276900000000, 0.0000029400000000, 0.0010883400000000 ] - [ 0.0001276900000000, -0.0000029400000000, 0.0010883400000000 ] - [ -0.0000559600000000, 0.0000000000000000, 0.0007739900000000 ] - [ -0.0150376100000000, 0.0000000000000000, -0.0163219800000000 ] - [ -0.0003268900000000, -0.0001278300000000, -0.0004614800000000 ] - [ -0.0003268900000000, 0.0001278300000000, -0.0004614800000000 ] - [ 0.0009935400000000, 0.0000276500000000, 0.0011754100000000 ] - [ 0.0009935400000000, -0.0000276500000000, 0.0011754100000000 ] - [ 0.0002932400000000, 0.0000000000000000, 0.0004429100000000 ] - [ -0.0005147000000000, -0.0000791300000000, 0.0010326300000000 ] - [ -0.0005147000000000, 0.0000791300000000, 0.0010326300000000 ] - [ -0.0000103700000000, 0.0000000000000000, -0.0000614500000000 ] - [ 0.0010895800000000, 0.0000313400000000, 0.0011409600000000 ] - [ 0.0010895800000000, -0.0000313400000000, 0.0011409600000000 ] - [ 0.0001903800000000, 0.0000000000000000, 0.0001364700000000 ] - [ -0.0004754700000000, -0.0000673700000000, -0.0004003800000000 ] - [ -0.0004754700000000, 0.0000673700000000, -0.0004003800000000 ] - [ 0.0002787300000000, 0.0000000000000000, 0.0002376500000000 ] - [ -0.0010857900000000, 0.0000000000000000, 0.0002970200000000 ] - [ -0.0001153800000000, -0.0001198000000000, 0.0002074000000000 ] - [ -0.0001153800000000, 0.0001198000000000, 0.0002074000000000 ] - [ 0.0055518700000000, 0.0000000000000000, -0.0085497200000000 ] - [ 0.0004668400000000, 0.0002247600000000, -0.0011785500000000 ] - [ 0.0004668400000000, -0.0002247600000000, -0.0011785500000000 ] - [ 0.0051175100000000, 0.0000000000000000, 0.0029456600000000 ] - [ 0.0004233600000000, 0.0000992800000000, 0.0003420200000000 ] - [ 0.0004233600000000, -0.0000992800000000, 0.0003420200000000 ] - [ 0.0011709500000000, 0.0023337700000000, -0.0033065000000000 ] - [ 0.0011709500000000, -0.0023337700000000, -0.0033065000000000 ] - [ -0.0002072700000000, 0.0000000000000000, -0.0000663500000000 ] - [ 0.0465473800000000, 0.0000000000000000, 0.1579983100000000 ] - [ 0.0012900200000000, -0.0014159800000000, 0.0042757700000000 ] - [ 0.0012900200000000, 0.0014159800000000, 0.0042757700000000 ] - [ 0.0027076200000000, -0.0018552700000000, -0.0095719200000000 ] - [ 0.0027076200000000, 0.0018552700000000, -0.0095719200000000 ] - [ 0.0007169200000000, 0.0000000000000000, -0.0020077100000000 ] - [ -0.0409371400000000, 0.0000000000000000, 0.0210630100000000 ] - [ 0.0003640800000000, 0.0010729000000000, 0.0007683300000000 ] - [ 0.0003640800000000, -0.0010729000000000, 0.0007683300000000 ] - [ -0.0044482500000000, -0.0006481900000000, 0.0045179900000000 ] - [ -0.0044482500000000, 0.0006481900000000, 0.0045179900000000 ] - [ -0.0008271000000000, 0.0000000000000000, 0.0010309600000000 ] - [ 0.0133876200000000, 0.0000000000000000, -0.0240017100000000 ] - [ 0.0020048200000000, -0.0003765700000000, -0.0037218000000000 ] - [ 0.0020048200000000, 0.0003765700000000, -0.0037218000000000 ] - [ 0.0008693900000000, 0.0008965000000000, -0.0002111100000000 ] - [ 0.0008693900000000, -0.0008965000000000, -0.0002111100000000 ] - [ -0.0005422100000000, 0.0000000000000000, 0.0001594800000000 ] - [ -0.0149380100000000, 0.0000000000000000, -0.0005222400000000 ] - [ -0.0008232400000000, -0.0005607000000000, 0.0000549200000000 ] - [ -0.0008232400000000, 0.0005607000000000, 0.0000549200000000 ] - [ 0.0054479400000000, 0.0148307800000000, -0.0085033000000000 ] - [ 0.0054479400000000, -0.0148307800000000, -0.0085033000000000 ] - [ 0.0026000900000000, 0.0000000000000000, -0.0014593200000000 ] - [ 0.0031978500000000, 0.0000000000000000, 0.0155133400000000 ] - [ -0.0019819000000000, -0.0024216300000000, 0.0021020700000000 ] - [ -0.0019819000000000, 0.0024216300000000, 0.0021020700000000 ] - [ 0.0008442400000000, -0.0087892200000000, -0.0061110800000000 ] - [ 0.0008442400000000, 0.0087892200000000, -0.0061110800000000 ] - [ 0.0004031200000000, 0.0000000000000000, -0.0011764600000000 ] - [ -0.0116855800000000, 0.0000000000000000, -0.0138905100000000 ] - [ 0.0004439800000000, 0.0048598900000000, 0.0016068000000000 ] - [ 0.0004439800000000, -0.0048598900000000, 0.0016068000000000 ] - [ 0.0009583500000000, 0.0034426100000000, 0.0201527200000000 ] - [ 0.0009583500000000, -0.0034426100000000, 0.0201527200000000 ] - [ 0.0001064200000000, 0.0000000000000000, 0.0004018400000000 ] - [ 0.0030444200000000, 0.0000000000000000, -0.0124566200000000 ] - [ 0.0002504300000000, -0.0009575500000000, -0.0017263900000000 ] - [ 0.0002504300000000, 0.0009575500000000, -0.0017263900000000 ] - [ 0.0000743400000000, 0.0000000000000000, 0.0016045700000000 ] - [ -0.0003253100000000, -0.0000126400000000, 0.0002611500000000 ] - [ -0.0003253100000000, 0.0000126400000000, 0.0002611500000000 ] - [ -0.0000345300000000, 0.0000099300000000, -0.0007685100000000 ] - [ -0.0000345300000000, -0.0000099300000000, -0.0007685100000000 ] - [ -0.0000473600000000, 0.0000000000000000, -0.0006715300000000 ] - [ -0.0033150800000000, 0.0000000000000000, -0.0027949600000000 ] - [ -0.0003907200000000, -0.0000676500000000, -0.0004015000000000 ] - [ -0.0003907200000000, 0.0000676500000000, -0.0004015000000000 ] - [ 0.0005997300000000, 0.0000327100000000, 0.0003635900000000 ] - [ 0.0005997300000000, -0.0000327100000000, 0.0003635900000000 ] - [ 0.0001596000000000, 0.0000000000000000, -0.0000020500000000 ] - [ 0.0016902000000000, 0.0000000000000000, -0.0000612000000000 ] - [ 0.0003737900000000, 0.0000994300000000, 0.0001617000000000 ] - [ 0.0003737900000000, -0.0000994300000000, 0.0001617000000000 ] - [ -0.0011512000000000, -0.0000387100000000, -0.0005231700000000 ] - [ -0.0011512000000000, 0.0000387100000000, -0.0005231700000000 ] - [ -0.0005060200000000, 0.0000000000000000, -0.0002426800000000 ] - [ 0.0082384700000000, 0.0000000000000000, 0.0131360300000000 ] - [ -0.0005374600000000, -0.0000120900000000, 0.0011140600000000 ] - [ -0.0005374600000000, 0.0000120900000000, 0.0011140600000000 ] - [ -0.0005033900000000, 0.0000122200000000, -0.0013054100000000 ] - [ -0.0005033900000000, -0.0000122200000000, -0.0013054100000000 ] - [ -0.0001827700000000, 0.0000000000000000, -0.0002788600000000 ] - [ 0.0006273600000000, 0.0000000000000000, -0.0009480600000000 ] - [ 0.0007826700000000, 0.0000129700000000, -0.0009493300000000 ] - [ 0.0007826700000000, -0.0000129700000000, -0.0009493300000000 ] - [ 0.0007910700000000, -0.0003783500000000, 0.0006841200000000 ] - [ 0.0007910700000000, 0.0003783500000000, 0.0006841200000000 ] - [ 0.0005515500000000, 0.0000000000000000, 0.0006417800000000 ] - [ -0.0001059700000000, 0.0000000000000000, -0.0001105200000000 ] - [ 0.0001928600000000, -0.0000174700000000, 0.0000137200000000 ] - [ 0.0001928600000000, 0.0000174700000000, 0.0000137200000000 ] - [ -0.0008264100000000, 0.0001717500000000, -0.0001765200000000 ] - [ -0.0008264100000000, -0.0001717500000000, -0.0001765200000000 ] - [ -0.0008484900000000, 0.0000000000000000, -0.0001103600000000 ] - [ 0.0020426700000000, 0.0000000000000000, -0.0004621200000000 ] - [ 0.0016522000000000, 0.0000081200000000, -0.0002173100000000 ] - [ 0.0016522000000000, -0.0000081200000000, -0.0002173100000000 ] - [ -0.0013292900000000, 0.0001243500000000, 0.0004473200000000 ] - [ -0.0013292900000000, -0.0001243500000000, 0.0004473200000000 ] - [ -0.0011858800000000, 0.0000000000000000, 0.0004619100000000 ]- atom: 4 displacement: [ 0.0020604768976038, 0.0000000000000000, -0.0097854195083523 ] forces: - [ 0.0112690100000000, 0.0028157300000000, -0.0149244800000000 ] - [ 0.0112690100000000, -0.0028157300000000, -0.0149244800000000 ] - [ 0.0024548700000000, 0.0000000000000000, -0.0018130300000000 ] - [ -0.0093714700000000, 0.0000000000000000, 0.3026736700000000 ] - [ -0.0000006600000000, 0.0032698200000000, 0.0057504400000000 ] - [ -0.0000006600000000, -0.0032698200000000, 0.0057504400000000 ] - [ -0.0111354300000000, -0.0325480700000000, -0.0092518400000000 ] - [ -0.0111354300000000, 0.0325480700000000, -0.0092518400000000 ] - [ -0.0006087500000000, 0.0000000000000000, -0.0012159400000000 ] - [ 0.0260250500000000, 0.0000000000000000, -0.0651718700000000 ] - [ 0.0033729600000000, 0.0051550500000000, -0.0030744400000000 ] - [ 0.0033729600000000, -0.0051550500000000, -0.0030744400000000 ] - [ 0.0020873400000000, 0.0219223000000000, 0.0096297800000000 ] - [ 0.0020873400000000, -0.0219223000000000, 0.0096297800000000 ] - [ -0.0016899000000000, 0.0000000000000000, 0.0011606300000000 ] - [ -0.0187059100000000, 0.0000000000000000, -0.0853849600000000 ] - [ -0.0014183800000000, -0.0084686200000000, -0.0007989600000000 ] - [ -0.0014183800000000, 0.0084686200000000, -0.0007989600000000 ] - [ -0.0013535200000000, 0.0000000000000000, 0.0011389100000000 ] - [ -0.0002708200000000, -0.0000970000000000, 0.0001563700000000 ] - [ -0.0002708200000000, 0.0000970000000000, 0.0001563700000000 ] - [ 0.0001437700000000, -0.0000547600000000, -0.0003212300000000 ] - [ 0.0001437700000000, 0.0000547600000000, -0.0003212300000000 ] - [ -0.0002053700000000, 0.0000000000000000, -0.0001853100000000 ] - [ 0.0015653400000000, 0.0000000000000000, -0.0024050200000000 ] - [ 0.0011167000000000, -0.0000938900000000, -0.0004150500000000 ] - [ 0.0011167000000000, 0.0000938900000000, -0.0004150500000000 ] - [ -0.0014075000000000, 0.0001430700000000, 0.0001985500000000 ] - [ -0.0014075000000000, -0.0001430700000000, 0.0001985500000000 ] - [ -0.0009913800000000, 0.0000000000000000, -0.0001268100000000 ] - [ 0.0014326000000000, 0.0000000000000000, 0.0005885000000000 ] - [ -0.0014305000000000, 0.0002832300000000, 0.0002104500000000 ] - [ -0.0014305000000000, -0.0002832300000000, 0.0002104500000000 ] - [ -0.0008374200000000, -0.0000043300000000, 0.0000588200000000 ] - [ -0.0008374200000000, 0.0000043300000000, 0.0000588200000000 ] - [ -0.0006510500000000, 0.0000000000000000, 0.0003777000000000 ] - [ 0.0158479800000000, 0.0000000000000000, 0.0170548700000000 ] - [ 0.0009682600000000, 0.0001305400000000, 0.0011145800000000 ] - [ 0.0009682600000000, -0.0001305400000000, 0.0011145800000000 ] - [ -0.0009827900000000, -0.0000286200000000, -0.0008471000000000 ] - [ -0.0009827900000000, 0.0000286200000000, -0.0008471000000000 ] - [ -0.0002712900000000, 0.0000000000000000, -0.0001068600000000 ] - [ 0.0006427600000000, 0.0000811300000000, -0.0015082000000000 ] - [ 0.0006427600000000, -0.0000811300000000, -0.0015082000000000 ] - [ 0.0001352600000000, 0.0000000000000000, -0.0003970000000000 ] - [ -0.0013268900000000, -0.0000314500000000, -0.0015073800000000 ] - [ -0.0013268900000000, 0.0000314500000000, -0.0015073800000000 ] - [ -0.0004152900000000, 0.0000000000000000, -0.0004923400000000 ] - [ 0.0011367200000000, 0.0000686200000000, 0.0010758700000000 ] - [ 0.0011367200000000, -0.0000686200000000, 0.0010758700000000 ] - [ 0.0003725500000000, 0.0000000000000000, 0.0004244500000000 ] - [ 0.0011220400000000, 0.0000000000000000, 0.0000471900000000 ] - [ 0.0001350300000000, 0.0001209700000000, 0.0001273400000000 ] - [ 0.0001350300000000, -0.0001209700000000, 0.0001273400000000 ] - [ -0.0054423300000000, 0.0000000000000000, 0.0081803000000000 ] - [ -0.0003465600000000, -0.0002235800000000, 0.0007344200000000 ] - [ -0.0003465600000000, 0.0002235800000000, 0.0007344200000000 ] - [ -0.0053577400000000, 0.0000000000000000, -0.0033102500000000 ] - [ -0.0006506400000000, -0.0000997500000000, -0.0006989900000000 ] - [ -0.0006506400000000, 0.0000997500000000, -0.0006989900000000 ] - [ -0.0016036300000000, -0.0023080600000000, 0.0035697800000000 ] - [ -0.0016036300000000, 0.0023080600000000, 0.0035697800000000 ] - [ -0.0002920400000000, 0.0000000000000000, 0.0002935000000000 ] - [ -0.0420782900000000, 0.0000000000000000, -0.1485732500000000 ] - [ -0.0012731000000000, 0.0013992100000000, -0.0053412500000000 ] - [ -0.0012731000000000, -0.0013992100000000, -0.0053412500000000 ] - [ -0.0025678600000000, 0.0018729100000000, 0.0095561800000000 ] - [ -0.0025678600000000, -0.0018729100000000, 0.0095561800000000 ] - [ -0.0005784100000000, 0.0000000000000000, 0.0019856600000000 ] - [ 0.0432378500000000, 0.0000000000000000, -0.0217225400000000 ] - [ 0.0000212800000000, -0.0010760900000000, -0.0009840200000000 ] - [ 0.0000212800000000, 0.0010760900000000, -0.0009840200000000 ] - [ 0.0047031000000000, 0.0006688300000000, -0.0041184600000000 ] - [ 0.0047031000000000, -0.0006688300000000, -0.0041184600000000 ] - [ 0.0010488000000000, 0.0000000000000000, -0.0005956000000000 ] - [ -0.0137167000000000, 0.0000000000000000, 0.0238809300000000 ] - [ -0.0022940100000000, 0.0003729000000000, 0.0034998800000000 ] - [ -0.0022940100000000, -0.0003729000000000, 0.0034998800000000 ] - [ -0.0021474200000000, -0.0009148000000000, 0.0005047100000000 ] - [ -0.0021474200000000, 0.0009148000000000, 0.0005047100000000 ] - [ -0.0006971300000000, 0.0000000000000000, 0.0001292400000000 ] - [ 0.0152100300000000, 0.0000000000000000, 0.0003951400000000 ] - [ 0.0009968000000000, 0.0005602300000000, -0.0001144300000000 ] - [ 0.0009968000000000, -0.0005602300000000, -0.0001144300000000 ] - [ -0.0035769200000000, -0.0148861300000000, 0.0066369500000000 ] - [ -0.0035769200000000, 0.0148861300000000, 0.0066369500000000 ] - [ -0.0006967500000000, 0.0000000000000000, -0.0003817300000000 ] - [ -0.0026743500000000, 0.0000000000000000, -0.0138948600000000 ] - [ 0.0030710500000000, 0.0024709300000000, -0.0008717500000000 ] - [ 0.0030710500000000, -0.0024709300000000, -0.0008717500000000 ] - [ -0.0002093500000000, 0.0088692000000000, 0.0062308300000000 ] - [ -0.0002093500000000, -0.0088692000000000, 0.0062308300000000 ] - [ 0.0002463700000000, 0.0000000000000000, 0.0012785500000000 ] - [ 0.0100797100000000, 0.0000000000000000, 0.0130649800000000 ] - [ -0.0020276300000000, -0.0049120100000000, -0.0017575100000000 ] - [ -0.0020276300000000, 0.0049120100000000, -0.0017575100000000 ] - [ 0.0024712500000000, -0.0032685700000000, -0.0202883500000000 ] - [ 0.0024712500000000, 0.0032685700000000, -0.0202883500000000 ] - [ 0.0031481000000000, 0.0000000000000000, -0.0007493800000000 ] - [ -0.0051535700000000, 0.0000000000000000, 0.0135255300000000 ] - [ -0.0023471600000000, 0.0009462800000000, 0.0027305100000000 ] - [ -0.0023471600000000, -0.0009462800000000, 0.0027305100000000 ] - [ -0.0005895700000000, 0.0000000000000000, -0.0014277600000000 ] - [ -0.0001874500000000, 0.0000124100000000, -0.0000885500000000 ] - [ -0.0001874500000000, -0.0000124100000000, -0.0000885500000000 ] - [ 0.0000373400000000, -0.0000099900000000, -0.0003339600000000 ] - [ 0.0000373400000000, 0.0000099900000000, -0.0003339600000000 ] - [ 0.0000537300000000, 0.0000000000000000, -0.0004241900000000 ] - [ 0.0034670700000000, 0.0000000000000000, 0.0027724900000000 ] - [ 0.0005279800000000, 0.0000676500000000, 0.0003831500000000 ] - [ 0.0005279800000000, -0.0000676500000000, 0.0003831500000000 ] - [ -0.0002542900000000, -0.0000331000000000, -0.0005504900000000 ] - [ -0.0002542900000000, 0.0000331000000000, -0.0005504900000000 ] - [ 0.0001986300000000, 0.0000000000000000, -0.0001801300000000 ] - [ -0.0014976800000000, 0.0000000000000000, 0.0005111600000000 ] - [ -0.0001553400000000, -0.0001002700000000, 0.0002898900000000 ] - [ -0.0001553400000000, 0.0001002700000000, 0.0002898900000000 ] - [ 0.0008744300000000, 0.0000386400000000, 0.0002864400000000 ] - [ 0.0008744300000000, -0.0000386400000000, 0.0002864400000000 ] - [ 0.0002236400000000, 0.0000000000000000, 0.0000024700000000 ] - [ -0.0095717300000000, 0.0000000000000000, -0.0129315100000000 ] - [ -0.0006840000000000, 0.0000094800000000, -0.0008292700000000 ] - [ -0.0006840000000000, -0.0000094800000000, -0.0008292700000000 ] - [ 0.0006716900000000, -0.0000129100000000, 0.0012656100000000 ] - [ 0.0006716900000000, 0.0000129100000000, 0.0012656100000000 ] - [ 0.0003430400000000, 0.0000000000000000, 0.0002266700000000 ] - [ 0.0012834600000000, 0.0000000000000000, -0.0009014300000000 ] - [ 0.0011313200000000, -0.0000121200000000, -0.0009007300000000 ] - [ 0.0011313200000000, 0.0000121200000000, -0.0009007300000000 ] - [ 0.0002983700000000, 0.0003857900000000, 0.0005417300000000 ] - [ 0.0002983700000000, -0.0003857900000000, 0.0005417300000000 ] - [ 0.0005410000000000, 0.0000000000000000, 0.0005835800000000 ] - [ 0.0007535300000000, 0.0000000000000000, 0.0002051900000000 ] - [ 0.0004555000000000, 0.0000166500000000, 0.0000819200000000 ] - [ 0.0004555000000000, -0.0000166500000000, 0.0000819200000000 ] - [ -0.0007452200000000, -0.0001732200000000, 0.0000596500000000 ] - [ -0.0007452200000000, 0.0001732200000000, 0.0000596500000000 ] - [ -0.0007218200000000, 0.0000000000000000, -0.0000070600000000 ] - [ 0.0012183900000000, 0.0000000000000000, 0.0001444900000000 ] - [ 0.0016148000000000, -0.0000120400000000, -0.0001047100000000 ] - [ 0.0016148000000000, 0.0000120400000000, -0.0001047100000000 ] - [ -0.0007556700000000, -0.0001189500000000, 0.0005470100000000 ] - [ -0.0007556700000000, 0.0001189500000000, 0.0005470100000000 ] - [ -0.0008986000000000, 0.0000000000000000, 0.0005335900000000 ]- atom: 7 displacement: [ 0.0099999983408567, 0.0000000000000000, 0.0000057604567923 ] forces: - [ -0.0268167000000000, 0.0000000000000000, -0.0299946400000000 ] - [ -0.0028591300000000, 0.0012389100000000, -0.0043361100000000 ] - [ -0.0028591300000000, -0.0012389100000000, -0.0043361100000000 ] - [ -0.0108978500000000, 0.0053680900000000, 0.0100028400000000 ] - [ -0.0023914300000000, 0.0000000000000000, 0.0010725400000000 ] - [ -0.0108978500000000, -0.0053680900000000, 0.0100028400000000 ] - [ -0.2140571200000000, 0.0000000000000000, 0.0136872900000000 ] - [ -0.0055860000000000, 0.0044405100000000, 0.0002121100000000 ] - [ -0.0055860000000000, -0.0044405100000000, 0.0002121100000000 ] - [ 0.0147743100000000, 0.0365471400000000, -0.0003571700000000 ] - [ 0.0013589100000000, 0.0000000000000000, 0.0001076300000000 ] - [ 0.0147743100000000, -0.0365471400000000, -0.0003571700000000 ] - [ -0.0237622400000000, 0.0000000000000000, -0.0555191300000000 ] - [ -0.0049326400000000, -0.0059776000000000, -0.0020998400000000 ] - [ -0.0049326400000000, 0.0059776000000000, -0.0020998400000000 ] - [ 0.0007079500000000, 0.0011246900000000, -0.0047291000000000 ] - [ 0.0013093700000000, 0.0000000000000000, -0.0006278600000000 ] - [ 0.0007079500000000, -0.0011246900000000, -0.0047291000000000 ] - [ 0.0037971300000000, -0.0017577200000000, 0.0016010500000000 ] - [ 0.0020930100000000, 0.0000000000000000, 0.0008725100000000 ] - [ 0.0037971300000000, 0.0017577200000000, 0.0016010500000000 ] - [ 0.0053967300000000, 0.0000000000000000, 0.0005246000000000 ] - [ 0.0012707200000000, -0.0006497900000000, 0.0000978100000000 ] - [ 0.0012707200000000, 0.0006497900000000, 0.0000978100000000 ] - [ 0.0050071100000000, -0.0010086900000000, -0.0003122600000000 ] - [ 0.0031937200000000, 0.0000000000000000, 0.0001174600000000 ] - [ 0.0050071100000000, 0.0010086900000000, -0.0003122600000000 ] - [ 0.0113116100000000, 0.0000000000000000, -0.0030525100000000 ] - [ 0.0003242100000000, -0.0017979800000000, -0.0005852100000000 ] - [ 0.0003242100000000, 0.0017979800000000, -0.0005852100000000 ] - [ 0.0029285300000000, -0.0004963300000000, 0.0010669200000000 ] - [ 0.0012482300000000, 0.0000000000000000, 0.0004601000000000 ] - [ 0.0029285300000000, 0.0004963300000000, 0.0010669200000000 ] - [ 0.0066536900000000, 0.0000000000000000, 0.0088148200000000 ] - [ -0.0010225300000000, -0.0021301100000000, 0.0015267700000000 ] - [ -0.0010225300000000, 0.0021301100000000, 0.0015267700000000 ] - [ 0.0033062800000000, 0.0000625300000000, 0.0028237800000000 ] - [ 0.0015130100000000, 0.0000000000000000, 0.0013074100000000 ] - [ 0.0033062800000000, -0.0000625300000000, 0.0028237800000000 ] - [ 0.0290959300000000, 0.0000000000000000, 0.0119074400000000 ] - [ -0.0008900000000000, -0.0010878000000000, -0.0006835200000000 ] - [ -0.0008900000000000, 0.0010878000000000, -0.0006835200000000 ] - [ 0.0003335500000000, 0.0000000000000000, -0.0014060200000000 ] - [ -0.0001547800000000, -0.0001462100000000, 0.0001747900000000 ] - [ -0.0001547800000000, 0.0001462100000000, 0.0001747900000000 ] - [ 0.0015820400000000, 0.0000000000000000, 0.0034662700000000 ] - [ -0.0018734500000000, -0.0004194800000000, -0.0013199200000000 ] - [ -0.0018734500000000, 0.0004194800000000, -0.0013199200000000 ] - [ 0.0026957100000000, 0.0000000000000000, -0.0008079200000000 ] - [ -0.0001071600000000, -0.0003147700000000, -0.0001855500000000 ] - [ -0.0001071600000000, 0.0003147700000000, -0.0001855500000000 ] - [ 0.0027161100000000, 0.0001603300000000, 0.0021083500000000 ] - [ 0.0013113100000000, 0.0000000000000000, 0.0011022800000000 ] - [ 0.0027161100000000, -0.0001603300000000, 0.0021083500000000 ] - [ 0.0004771400000000, 0.0000239900000000, -0.0011468700000000 ] - [ 0.0004265600000000, 0.0000000000000000, -0.0010394400000000 ] - [ 0.0004771400000000, -0.0000239900000000, -0.0011468700000000 ] - [ 0.0017041400000000, 0.0000087300000000, 0.0009228700000000 ] - [ 0.0011178800000000, 0.0000000000000000, 0.0006572700000000 ] - [ 0.0017041400000000, -0.0000087300000000, 0.0009228700000000 ] - [ 0.0066058700000000, 0.0000000000000000, 0.0167717500000000 ] - [ 0.0016661500000000, 0.0005644600000000, 0.0049544800000000 ] - [ 0.0016661500000000, -0.0005644600000000, 0.0049544800000000 ] - [ 0.0006765000000000, -0.0000845300000000, -0.0009429800000000 ] - [ 0.0001437000000000, 0.0000000000000000, -0.0002051100000000 ] - [ 0.0006765000000000, 0.0000845300000000, -0.0009429800000000 ] - [ 0.0268790800000000, 0.0000000000000000, 0.0165002100000000 ] - [ 0.0025227500000000, 0.0000634300000000, 0.0026179200000000 ] - [ 0.0025227500000000, -0.0000634300000000, 0.0026179200000000 ] - [ 0.0016795200000000, -0.0030527300000000, -0.0075816600000000 ] - [ 0.0000767400000000, 0.0000000000000000, -0.0018086700000000 ] - [ 0.0016795200000000, 0.0030527300000000, -0.0075816600000000 ] - [ 0.0909058600000000, 0.0000000000000000, -0.0134651600000000 ] - [ 0.0046899300000000, 0.0014237000000000, -0.0004461500000000 ] - [ 0.0046899300000000, -0.0014237000000000, -0.0004461500000000 ] - [ -0.0060790100000000, -0.0017201900000000, 0.0043206500000000 ] - [ -0.0017145400000000, 0.0000000000000000, 0.0002381200000000 ] - [ -0.0060790100000000, 0.0017201900000000, 0.0043206500000000 ] - [ 0.0003214800000000, 0.0000000000000000, 0.0048419000000000 ] - [ 0.0009752600000000, 0.0005088100000000, 0.0002253800000000 ] - [ 0.0009752600000000, -0.0005088100000000, 0.0002253800000000 ] - [ -0.0025796600000000, -0.0000484200000000, 0.0003928300000000 ] - [ -0.0018927400000000, 0.0000000000000000, 0.0001773900000000 ] - [ -0.0025796600000000, 0.0000484200000000, 0.0003928300000000 ] - [ 0.0040985800000000, 0.0000000000000000, 0.0021797600000000 ] - [ 0.0016732800000000, -0.0012860500000000, -0.0003663400000000 ] - [ 0.0016732800000000, 0.0012860500000000, -0.0003663400000000 ] - [ 0.0087085100000000, 0.0088385300000000, 0.0038050300000000 ] - [ 0.0028244600000000, 0.0000000000000000, 0.0004053500000000 ] - [ 0.0087085100000000, -0.0088385300000000, 0.0038050300000000 ] - [ 0.0184993800000000, 0.0000000000000000, 0.0035387700000000 ] - [ 0.0032061800000000, -0.0052787900000000, 0.0009528500000000 ] - [ 0.0032061800000000, 0.0052787900000000, 0.0009528500000000 ] - [ 0.0203242900000000, 0.0159904700000000, 0.0031621800000000 ] - [ -0.0007358200000000, 0.0000000000000000, -0.0011979700000000 ] - [ 0.0203242900000000, -0.0159904700000000, 0.0031621800000000 ] - [ 0.0192057600000000, 0.0000000000000000, 0.0036630600000000 ] - [ 0.0040770600000000, -0.0010255900000000, -0.0013785300000000 ] - [ 0.0040770600000000, 0.0010255900000000, -0.0013785300000000 ] - [ 0.0017532100000000, -0.0010706700000000, 0.0056812500000000 ] - [ -0.0010154100000000, 0.0000000000000000, 0.0014695700000000 ] - [ 0.0017532100000000, 0.0010706700000000, 0.0056812500000000 ] - [ -0.0015963700000000, 0.0001597600000000, -0.0021624900000000 ] - [ -0.0010308000000000, 0.0000000000000000, -0.0011288100000000 ] - [ -0.0015963700000000, -0.0001597600000000, -0.0021624900000000 ] - [ -0.0019088500000000, 0.0000000000000000, -0.0033959600000000 ] - [ -0.0002404500000000, 0.0002802500000000, -0.0012357600000000 ] - [ -0.0002404500000000, -0.0002802500000000, -0.0012357600000000 ] - [ -0.0020985100000000, 0.0001850100000000, -0.0004519500000000 ] - [ -0.0012818700000000, 0.0000000000000000, -0.0004499200000000 ] - [ -0.0020985100000000, -0.0001850100000000, -0.0004519500000000 ] - [ -0.0036110500000000, 0.0000000000000000, 0.0022597900000000 ] - [ -0.0001489200000000, 0.0004081000000000, 0.0005600900000000 ] - [ -0.0001489200000000, -0.0004081000000000, 0.0005600900000000 ] - [ -0.0034246400000000, -0.0000050300000000, -0.0006656600000000 ] - [ -0.0017759200000000, 0.0000000000000000, -0.0002242800000000 ] - [ -0.0034246400000000, 0.0000050300000000, -0.0006656600000000 ] - [ -0.0165659100000000, 0.0000000000000000, -0.0089540700000000 ] - [ -0.0002082400000000, 0.0008730000000000, 0.0000340500000000 ] - [ -0.0002082400000000, -0.0008730000000000, 0.0000340500000000 ] - [ -0.0045107900000000, -0.0000305200000000, -0.0004469400000000 ] - [ -0.0027334700000000, 0.0000000000000000, 0.0002038000000000 ] - [ -0.0045107900000000, 0.0000305200000000, -0.0004469400000000 ] - [ -0.0026321600000000, 0.0000000000000000, -0.0009188900000000 ] - [ 0.0017911600000000, 0.0004875200000000, 0.0001996500000000 ] - [ 0.0017911600000000, -0.0004875200000000, 0.0001996500000000 ] - [ -0.0006064900000000, 0.0029354300000000, -0.0013710800000000 ] - [ 0.0003246200000000, 0.0000000000000000, -0.0010060500000000 ] - [ -0.0006064900000000, -0.0029354300000000, -0.0013710800000000 ] - [ -0.0016658300000000, 0.0000000000000000, 0.0005643600000000 ] - [ -0.0004780500000000, 0.0001680700000000, 0.0005572400000000 ] - [ -0.0004780500000000, -0.0001680700000000, 0.0005572400000000 ] - [ -0.0016301600000000, 0.0024663000000000, -0.0002784800000000 ] - [ -0.0005385500000000, 0.0000000000000000, -0.0000828300000000 ] - [ -0.0016301600000000, -0.0024663000000000, -0.0002784800000000 ] - [ -0.0033197600000000, 0.0000000000000000, -0.0002939000000000 ] - [ -0.0015524900000000, 0.0004745700000000, -0.0000695200000000 ] - [ -0.0015524900000000, -0.0004745700000000, -0.0000695200000000 ] - [ 0.0001919700000000, 0.0010087900000000, -0.0002338700000000 ] - [ 0.0007967400000000, 0.0000000000000000, -0.0002261100000000 ] - [ 0.0001919700000000, -0.0010087900000000, -0.0002338700000000 ] - [ -0.0039898500000000, 0.0000000000000000, -0.0010213500000000 ] - [ -0.0014138400000000, 0.0007754900000000, 0.0003436600000000 ] - [ -0.0014138400000000, -0.0007754900000000, 0.0003436600000000 ]- atom: 7 displacement: [ -0.0099999983408567, 0.0000000000000000, -0.0000057604567923 ] forces: - [ 0.0267015200000000, 0.0000000000000000, 0.0299272700000000 ] - [ 0.0031677100000000, -0.0012539200000000, 0.0045174200000000 ] - [ 0.0031677100000000, 0.0012539200000000, 0.0045174200000000 ] - [ 0.0104256100000000, -0.0052723200000000, -0.0102681600000000 ] - [ 0.0020457800000000, 0.0000000000000000, -0.0013421300000000 ] - [ 0.0104256100000000, 0.0052723200000000, -0.0102681600000000 ] - [ 0.2210593500000000, 0.0000000000000000, -0.0162522500000000 ] - [ 0.0076449000000000, -0.0045110000000000, -0.0000991800000000 ] - [ 0.0076449000000000, 0.0045110000000000, -0.0000991800000000 ] - [ -0.0159556200000000, -0.0360124700000000, -0.0001161600000000 ] - [ -0.0026572400000000, 0.0000000000000000, -0.0005452700000000 ] - [ -0.0159556200000000, 0.0360124700000000, -0.0001161600000000 ] - [ 0.0208789600000000, 0.0000000000000000, 0.0552877100000000 ] - [ 0.0021042000000000, 0.0059666600000000, 0.0018385400000000 ] - [ 0.0021042000000000, -0.0059666600000000, 0.0018385400000000 ] - [ -0.0014408900000000, -0.0011365500000000, 0.0058563800000000 ] - [ -0.0020276900000000, 0.0000000000000000, 0.0017669400000000 ] - [ -0.0014408900000000, 0.0011365500000000, 0.0058563800000000 ] - [ -0.0034231300000000, 0.0017601800000000, -0.0014160400000000 ] - [ -0.0017210300000000, 0.0000000000000000, -0.0006816600000000 ] - [ -0.0034231300000000, -0.0017601800000000, -0.0014160400000000 ] - [ -0.0057096900000000, 0.0000000000000000, -0.0007496600000000 ] - [ -0.0015822000000000, 0.0006510100000000, -0.0003424500000000 ] - [ -0.0015822000000000, -0.0006510100000000, -0.0003424500000000 ] - [ -0.0029285300000000, 0.0010133400000000, 0.0003917700000000 ] - [ -0.0011190100000000, 0.0000000000000000, -0.0000396700000000 ] - [ -0.0029285300000000, -0.0010133400000000, 0.0003917700000000 ] - [ -0.0126678300000000, 0.0000000000000000, 0.0026287400000000 ] - [ -0.0015978800000000, 0.0018069900000000, 0.0001331300000000 ] - [ -0.0015978800000000, -0.0018069900000000, 0.0001331300000000 ] - [ -0.0057549400000000, 0.0004990600000000, -0.0013172900000000 ] - [ -0.0040876700000000, 0.0000000000000000, -0.0007159600000000 ] - [ -0.0057549400000000, -0.0004990600000000, -0.0013172900000000 ] - [ -0.0072722700000000, 0.0000000000000000, -0.0077478100000000 ] - [ 0.0003299500000000, 0.0021295600000000, -0.0003794500000000 ] - [ 0.0003299500000000, -0.0021295600000000, -0.0003794500000000 ] - [ -0.0026436000000000, -0.0000600300000000, -0.0021523200000000 ] - [ -0.0008701000000000, 0.0000000000000000, -0.0006532300000000 ] - [ -0.0026436000000000, 0.0000600300000000, -0.0021523200000000 ] - [ -0.0295951400000000, 0.0000000000000000, -0.0116631800000000 ] - [ 0.0009170900000000, 0.0010947100000000, 0.0010251800000000 ] - [ 0.0009170900000000, -0.0010947100000000, 0.0010251800000000 ] - [ -0.0002180700000000, 0.0000000000000000, 0.0009645700000000 ] - [ 0.0002786300000000, 0.0001449300000000, -0.0006260300000000 ] - [ 0.0002786300000000, -0.0001449300000000, -0.0006260300000000 ] - [ -0.0016716600000000, 0.0000000000000000, -0.0036707600000000 ] - [ 0.0016631300000000, 0.0004183000000000, 0.0009739200000000 ] - [ 0.0016631300000000, -0.0004183000000000, 0.0009739200000000 ] - [ -0.0020301300000000, 0.0000000000000000, 0.0014917900000000 ] - [ 0.0007593200000000, 0.0003151600000000, 0.0008476700000000 ] - [ 0.0007593200000000, -0.0003151600000000, 0.0008476700000000 ] - [ -0.0026869800000000, -0.0001581600000000, -0.0017683100000000 ] - [ -0.0012927200000000, 0.0000000000000000, -0.0007687500000000 ] - [ -0.0026869800000000, 0.0001581600000000, -0.0017683100000000 ] - [ -0.0003567700000000, -0.0000237200000000, 0.0007051900000000 ] - [ -0.0003051900000000, 0.0000000000000000, 0.0005934700000000 ] - [ -0.0003567700000000, 0.0000237200000000, 0.0007051900000000 ] - [ -0.0019272900000000, -0.0000086900000000, -0.0012793300000000 ] - [ -0.0013428200000000, 0.0000000000000000, -0.0010129800000000 ] - [ -0.0019272900000000, 0.0000086900000000, -0.0012793300000000 ] - [ -0.0071229100000000, 0.0000000000000000, -0.0166002300000000 ] - [ -0.0021670100000000, -0.0005639500000000, -0.0047564200000000 ] - [ -0.0021670100000000, 0.0005639500000000, -0.0047564200000000 ] - [ -0.0006623900000000, 0.0000697600000000, -0.0001510100000000 ] - [ -0.0001301600000000, 0.0000000000000000, -0.0008866200000000 ] - [ -0.0006623900000000, -0.0000697600000000, -0.0001510100000000 ] - [ -0.0263771600000000, 0.0000000000000000, -0.0159679800000000 ] - [ -0.0023686800000000, -0.0000570700000000, -0.0026860000000000 ] - [ -0.0023686800000000, 0.0000570700000000, -0.0026860000000000 ] - [ -0.0012734500000000, 0.0030126300000000, 0.0073349200000000 ] - [ 0.0002999700000000, 0.0000000000000000, 0.0016208900000000 ] - [ -0.0012734500000000, -0.0030126300000000, 0.0073349200000000 ] - [ -0.0969093700000000, 0.0000000000000000, 0.0170350600000000 ] - [ -0.0044998000000000, -0.0014412700000000, 0.0008914500000000 ] - [ -0.0044998000000000, 0.0014412700000000, 0.0008914500000000 ] - [ 0.0057875900000000, 0.0017024300000000, -0.0045325700000000 ] - [ 0.0014351100000000, 0.0000000000000000, -0.0004691700000000 ] - [ 0.0057875900000000, -0.0017024300000000, -0.0045325700000000 ] - [ -0.0015860300000000, 0.0000000000000000, -0.0045652700000000 ] - [ -0.0022108300000000, -0.0005087300000000, 0.0000609800000000 ] - [ -0.0022108300000000, 0.0005087300000000, 0.0000609800000000 ] - [ 0.0027549600000000, 0.0000502900000000, -0.0004523200000000 ] - [ 0.0020674200000000, 0.0000000000000000, -0.0002368300000000 ] - [ 0.0027549600000000, -0.0000502900000000, -0.0004523200000000 ] - [ -0.0020833400000000, 0.0000000000000000, -0.0039912100000000 ] - [ 0.0002571400000000, 0.0012806600000000, -0.0014796300000000 ] - [ 0.0002571400000000, -0.0012806600000000, -0.0014796300000000 ] - [ -0.0075878300000000, -0.0087998400000000, -0.0026095400000000 ] - [ -0.0017227900000000, 0.0000000000000000, 0.0008180800000000 ] - [ -0.0075878300000000, 0.0087998400000000, -0.0026095400000000 ] - [ -0.0155398000000000, 0.0000000000000000, -0.0040772300000000 ] - [ -0.0025175200000000, 0.0051948400000000, -0.0008347100000000 ] - [ -0.0025175200000000, -0.0051948400000000, -0.0008347100000000 ] - [ -0.0222040600000000, -0.0158700200000000, -0.0032433700000000 ] - [ -0.0007839400000000, 0.0000000000000000, 0.0011004800000000 ] - [ -0.0222040600000000, 0.0158700200000000, -0.0032433700000000 ] - [ -0.0161165400000000, 0.0000000000000000, -0.0042921000000000 ] - [ -0.0007839200000000, 0.0010337400000000, 0.0010874400000000 ] - [ -0.0007839200000000, -0.0010337400000000, 0.0010874400000000 ] - [ -0.0037651200000000, 0.0010889500000000, -0.0046214000000000 ] - [ -0.0010557300000000, 0.0000000000000000, -0.0004607600000000 ] - [ -0.0037651200000000, -0.0010889500000000, -0.0046214000000000 ] - [ 0.0010831000000000, -0.0001597000000000, 0.0023350300000000 ] - [ 0.0005178500000000, 0.0000000000000000, 0.0013031300000000 ] - [ 0.0010831000000000, 0.0001597000000000, 0.0023350300000000 ] - [ 0.0018935000000000, 0.0000000000000000, 0.0022672900000000 ] - [ 0.0002433800000000, -0.0002803000000000, 0.0001345000000000 ] - [ 0.0002433800000000, 0.0002803000000000, 0.0001345000000000 ] - [ 0.0022342200000000, -0.0001856300000000, 0.0004340200000000 ] - [ 0.0014178200000000, 0.0000000000000000, 0.0004349200000000 ] - [ 0.0022342200000000, 0.0001856300000000, 0.0004340200000000 ] - [ 0.0039714800000000, 0.0000000000000000, -0.0024635800000000 ] - [ 0.0005065600000000, -0.0004091200000000, -0.0007447100000000 ] - [ 0.0005065600000000, 0.0004091200000000, -0.0007447100000000 ] - [ 0.0036321600000000, 0.0000036400000000, 0.0011129600000000 ] - [ 0.0019963600000000, 0.0000000000000000, 0.0006749300000000 ] - [ 0.0036321600000000, -0.0000036400000000, 0.0011129600000000 ] - [ 0.0164347600000000, 0.0000000000000000, 0.0087996800000000 ] - [ -0.0000808500000000, -0.0008772600000000, -0.0002699100000000 ] - [ -0.0000808500000000, 0.0008772600000000, -0.0002699100000000 ] - [ 0.0032720900000000, 0.0000295300000000, 0.0007224200000000 ] - [ 0.0015098200000000, 0.0000000000000000, 0.0000814200000000 ] - [ 0.0032720900000000, -0.0000295300000000, 0.0007224200000000 ] - [ 0.0026335000000000, 0.0000000000000000, 0.0007904500000000 ] - [ -0.0016441200000000, -0.0004858900000000, -0.0002586200000000 ] - [ -0.0016441200000000, 0.0004858900000000, -0.0002586200000000 ] - [ 0.0025125500000000, -0.0029296900000000, -0.0004727200000000 ] - [ 0.0015857300000000, 0.0000000000000000, -0.0008426400000000 ] - [ 0.0025125500000000, 0.0029296900000000, -0.0004727200000000 ] - [ 0.0027552000000000, 0.0000000000000000, 0.0006601700000000 ] - [ 0.0015712400000000, -0.0001721600000000, 0.0006668900000000 ] - [ 0.0015712400000000, 0.0001721600000000, 0.0006668900000000 ] - [ 0.0022828100000000, -0.0024766700000000, 0.0003750200000000 ] - [ 0.0011887600000000, 0.0000000000000000, 0.0001813700000000 ] - [ 0.0022828100000000, 0.0024766700000000, 0.0003750200000000 ] - [ 0.0017552200000000, 0.0000000000000000, 0.0001720000000000 ] - [ -0.0000188600000000, -0.0004772800000000, -0.0000489500000000 ] - [ -0.0000188600000000, 0.0004772800000000, -0.0000489500000000 ] - [ 0.0030738800000000, -0.0010108900000000, -0.0000901500000000 ] - [ 0.0024719600000000, 0.0000000000000000, -0.0000968600000000 ] - [ 0.0030738800000000, 0.0010108900000000, -0.0000901500000000 ] - [ 0.0019031100000000, 0.0000000000000000, 0.0020281600000000 ] - [ -0.0006735200000000, -0.0007789600000000, 0.0006545700000000 ] - [ -0.0006735200000000, 0.0007789600000000, 0.0006545700000000 ]- atom: 7 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0001734400000000, -0.0142502400000000, 0.0002162100000000 ] - [ 0.0079425400000000, 0.0057882100000000, -0.0047847800000000 ] - [ -0.0075697700000000, 0.0058367500000000, 0.0049275600000000 ] - [ 0.0063473300000000, -0.0040996200000000, 0.0344998500000000 ] - [ -0.0001571000000000, 0.0106378400000000, -0.0001098700000000 ] - [ -0.0065959500000000, -0.0041566100000000, -0.0343706200000000 ] - [ -0.0004842600000000, -0.1836869200000000, -0.0008404800000000 ] - [ -0.0034429000000000, 0.0609258100000000, -0.0042943600000000 ] - [ 0.0055026600000000, 0.0604781900000000, 0.0043922600000000 ] - [ 0.0348891000000000, -0.0049441300000000, -0.0149490900000000 ] - [ -0.0006240100000000, 0.0123828500000000, -0.0002353400000000 ] - [ -0.0357690200000000, -0.0049697200000000, 0.0143244200000000 ] - [ -0.0015129700000000, -0.0147072100000000, -0.0002795600000000 ] - [ -0.0031362500000000, 0.0063191300000000, 0.0049488600000000 ] - [ 0.0002462400000000, 0.0063580800000000, -0.0051730100000000 ] - [ 0.0009362500000000, -0.0031822900000000, -0.0001191600000000 ] - [ -0.0003458900000000, 0.0060882200000000, 0.0005756800000000 ] - [ -0.0016698500000000, -0.0031386900000000, 0.0012817800000000 ] - [ 0.0005483900000000, -0.0006141100000000, 0.0002713500000000 ] - [ 0.0001907300000000, 0.0012105700000000, 0.0000978600000000 ] - [ -0.0001544800000000, -0.0005955300000000, -0.0000739300000000 ] - [ -0.0001355900000000, -0.0009958200000000, -0.0001162200000000 ] - [ -0.0009494700000000, 0.0004923100000000, -0.0003852600000000 ] - [ 0.0006389600000000, 0.0005015900000000, 0.0001405400000000 ] - [ 0.0020594800000000, -0.0005724400000000, 0.0001858300000000 ] - [ 0.0010437900000000, 0.0011331200000000, 0.0000402100000000 ] - [ 0.0000385400000000, -0.0005601400000000, -0.0001078000000000 ] - [ -0.0005955500000000, -0.0013389400000000, -0.0002378900000000 ] - [ -0.0025284600000000, 0.0006448200000000, -0.0000049000000000 ] - [ 0.0012476600000000, 0.0006623300000000, -0.0004497400000000 ] - [ 0.0007492400000000, -0.0006912700000000, -0.0000044000000000 ] - [ -0.0014087400000000, 0.0013764800000000, -0.0001269600000000 ] - [ -0.0035553200000000, -0.0006836500000000, -0.0002435700000000 ] - [ -0.0002972600000000, -0.0019542900000000, 0.0005971700000000 ] - [ -0.0032478000000000, 0.0009323300000000, -0.0001389900000000 ] - [ 0.0025261000000000, 0.0009571900000000, 0.0012914400000000 ] - [ 0.0032210600000000, -0.0001362600000000, 0.0029414200000000 ] - [ 0.0003294700000000, 0.0002455600000000, 0.0003338400000000 ] - [ -0.0025467600000000, -0.0001365000000000, -0.0022583300000000 ] - [ 0.0001243500000000, -0.0040822000000000, 0.0001902700000000 ] - [ -0.0026867800000000, 0.0004204000000000, -0.0018967900000000 ] - [ 0.0026840700000000, 0.0004241800000000, 0.0022190800000000 ] - [ 0.0000591300000000, -0.0001306200000000, -0.0002181800000000 ] - [ -0.0000795100000000, 0.0000973100000000, 0.0000896800000000 ] - [ 0.0001994000000000, 0.0000997500000000, -0.0005322400000000 ] - [ -0.0000459100000000, -0.0015773600000000, -0.0001004900000000 ] - [ -0.0027690800000000, 0.0003629600000000, -0.0024687800000000 ] - [ 0.0025282100000000, 0.0003676400000000, 0.0020992900000000 ] - [ 0.0003319200000000, -0.0002539700000000, 0.0003266100000000 ] - [ -0.0005452200000000, 0.0000995300000000, -0.0001251800000000 ] - [ 0.0011838900000000, 0.0001022800000000, 0.0007760700000000 ] - [ 0.0015697100000000, -0.0000911300000000, 0.0013301700000000 ] - [ 0.0000155600000000, 0.0001802000000000, 0.0001713900000000 ] - [ -0.0015325600000000, -0.0000910100000000, -0.0009820900000000 ] - [ 0.0002505300000000, -0.0000804700000000, -0.0007010800000000 ] - [ 0.0000625000000000, 0.0001667000000000, -0.0002273900000000 ] - [ -0.0001268400000000, -0.0000801000000000, 0.0002503600000000 ] - [ 0.0008021900000000, -0.0000704100000000, 0.0002916900000000 ] - [ -0.0001071700000000, 0.0001321700000000, -0.0001740300000000 ] - [ -0.0010140400000000, -0.0000696200000000, -0.0006412300000000 ] - [ -0.0002468800000000, 0.0018856900000000, 0.0000468800000000 ] - [ -0.0001180300000000, -0.0009050200000000, 0.0011370000000000 ] - [ -0.0003826100000000, -0.0009142000000000, -0.0009400900000000 ] - [ -0.0026675900000000, 0.0008985400000000, -0.0094317700000000 ] - [ -0.0000009700000000, -0.0014566600000000, -0.0005645400000000 ] - [ 0.0026512200000000, 0.0009064400000000, 0.0082479300000000 ] - [ 0.0003215400000000, 0.0159516500000000, 0.0002367600000000 ] - [ -0.0023246600000000, -0.0044090900000000, 0.0101720800000000 ] - [ 0.0024718400000000, -0.0043739300000000, -0.0101763200000000 ] - [ -0.0064325700000000, 0.0006985700000000, -0.0044979900000000 ] - [ 0.0001730300000000, -0.0015722700000000, -0.0000931200000000 ] - [ 0.0067198500000000, 0.0006875200000000, 0.0042857700000000 ] - [ 0.0003307400000000, 0.0142671000000000, 0.0002402900000000 ] - [ 0.0061806900000000, -0.0040175400000000, -0.0033149800000000 ] - [ -0.0059323200000000, -0.0039915700000000, 0.0037623100000000 ] - [ -0.0071596100000000, 0.0008029100000000, 0.0054899600000000 ] - [ -0.0001507000000000, -0.0014370600000000, -0.0001136600000000 ] - [ 0.0068254400000000, 0.0008152900000000, -0.0056755400000000 ] - [ -0.0006086200000000, 0.0007456800000000, 0.0001491400000000 ] - [ 0.0007603900000000, -0.0003428400000000, -0.0001735000000000 ] - [ -0.0019675200000000, -0.0003477100000000, 0.0004583100000000 ] - [ -0.0018127200000000, 0.0002484300000000, 0.0003695900000000 ] - [ 0.0000740300000000, -0.0004634000000000, -0.0000285900000000 ] - [ 0.0019670600000000, 0.0002442800000000, -0.0004261100000000 ] - [ 0.0010160600000000, 0.0067580200000000, -0.0009229400000000 ] - [ -0.0011311000000000, -0.0033292300000000, -0.0006299100000000 ] - [ 0.0030528600000000, -0.0033403500000000, -0.0012202100000000 ] - [ 0.0038510800000000, 0.0042431500000000, -0.0030073800000000 ] - [ 0.0005592600000000, -0.0084583300000000, 0.0006067000000000 ] - [ -0.0026655000000000, 0.0041397600000000, 0.0042142100000000 ] - [ 0.0000720900000000, 0.0242190900000000, 0.0001761600000000 ] - [ -0.0064492200000000, -0.0106507900000000, 0.0020160300000000 ] - [ 0.0070694100000000, -0.0106010400000000, -0.0018937900000000 ] - [ 0.0015021900000000, 0.0398356800000000, 0.0029265600000000 ] - [ -0.0007958300000000, -0.0269893500000000, -0.0000656600000000 ] - [ -0.0019642700000000, 0.0348061400000000, -0.0024175400000000 ] - [ 0.0016352800000000, 0.0190331000000000, -0.0004681600000000 ] - [ 0.0008765100000000, -0.0087959900000000, -0.0065940700000000 ] - [ 0.0024085400000000, -0.0087556600000000, 0.0062280800000000 ] - [ -0.0021521200000000, 0.0038733800000000, 0.0042803300000000 ] - [ -0.0010435200000000, -0.0074926500000000, 0.0005081300000000 ] - [ 0.0001386900000000, 0.0037281800000000, -0.0032434100000000 ] - [ -0.0006050200000000, 0.0001112900000000, -0.0002470400000000 ] - [ -0.0002593900000000, -0.0002183400000000, 0.0000842300000000 ] - [ 0.0000849900000000, 0.0001082000000000, 0.0004127900000000 ] - [ -0.0000098500000000, 0.0002598300000000, -0.0005708200000000 ] - [ 0.0004767900000000, -0.0001288800000000, 0.0000417900000000 ] - [ -0.0004711600000000, -0.0001320600000000, -0.0011449200000000 ] - [ -0.0005564000000000, 0.0001160500000000, -0.0003696000000000 ] - [ 0.0000625200000000, -0.0002287200000000, -0.0000113900000000 ] - [ 0.0006801500000000, 0.0001137600000000, 0.0003432200000000 ] - [ 0.0001648800000000, 0.0003176500000000, -0.0000812200000000 ] - [ 0.0009975300000000, -0.0001502500000000, -0.0000027200000000 ] - [ -0.0006346900000000, -0.0001541700000000, -0.0001715500000000 ] - [ -0.0014697000000000, 0.0001420100000000, -0.0004407900000000 ] - [ 0.0001026900000000, -0.0002823000000000, 0.0002231500000000 ] - [ 0.0016643900000000, 0.0001403800000000, 0.0008871400000000 ] - [ -0.0002027300000000, 0.0009870800000000, -0.0001455600000000 ] - [ 0.0023243400000000, -0.0003933300000000, 0.0008575000000000 ] - [ -0.0025938900000000, -0.0003994300000000, -0.0010878400000000 ] - [ -0.0037100400000000, 0.0001552600000000, -0.0009226000000000 ] - [ -0.0006236300000000, -0.0003035400000000, 0.0001423300000000 ] - [ 0.0024484900000000, 0.0001546000000000, 0.0011972300000000 ] - [ 0.0000185900000000, 0.0008013900000000, -0.0000645500000000 ] - [ 0.0031344600000000, -0.0003218900000000, 0.0008183000000000 ] - [ -0.0029535000000000, -0.0003283900000000, -0.0008731700000000 ] - [ 0.0010907900000000, 0.0009826000000000, -0.0008530900000000 ] - [ 0.0009553900000000, -0.0019265900000000, -0.0009249100000000 ] - [ 0.0008067800000000, 0.0009446500000000, -0.0009981900000000 ] - [ 0.0005382300000000, 0.0015407500000000, 0.0006132200000000 ] - [ 0.0006264300000000, -0.0007678900000000, 0.0005826000000000 ] - [ 0.0004621100000000, -0.0007727200000000, 0.0006427400000000 ] - [ 0.0002330600000000, 0.0006633700000000, 0.0000161700000000 ] - [ 0.0003218900000000, -0.0012958400000000, 0.0000488400000000 ] - [ 0.0004019700000000, 0.0006402600000000, 0.0000775300000000 ] - [ -0.0007943100000000, 0.0010989500000000, -0.0000601300000000 ] - [ -0.0005130100000000, -0.0005450600000000, 0.0000140100000000 ] - [ -0.0010600300000000, -0.0005527900000000, -0.0001306100000000 ] - [ 0.0012661000000000, 0.0004314100000000, -0.0002103700000000 ] - [ 0.0016312000000000, -0.0008538700000000, -0.0001616700000000 ] - [ 0.0019923700000000, 0.0004218100000000, -0.0001119500000000 ] - [ -0.0010561300000000, 0.0009103000000000, 0.0004928600000000 ] - [ -0.0005240200000000, -0.0004531200000000, 0.0006786500000000 ] - [ -0.0015611700000000, -0.0004595700000000, 0.0003183200000000 ]- atom: 7 displacement: [ -0.0020604768976038, 0.0000000000000000, 0.0097854195083523 ] forces: - [ -0.0688632900000000, 0.0000000000000000, 0.0605430700000000 ] - [ 0.0026163700000000, -0.0080303800000000, 0.0042075700000000 ] - [ 0.0026163700000000, 0.0080303800000000, 0.0042075700000000 ] - [ 0.0154657200000000, 0.0313364300000000, 0.0098966400000000 ] - [ 0.0027222000000000, 0.0000000000000000, 0.0013859100000000 ] - [ 0.0154657200000000, -0.0313364300000000, 0.0098966400000000 ] - [ 0.0624427800000000, 0.0000000000000000, -0.2908947800000000 ] - [ 0.0025734400000000, 0.0032593700000000, -0.0052631800000000 ] - [ 0.0025734400000000, -0.0032593700000000, -0.0052631800000000 ] - [ -0.0025806900000000, -0.0207488000000000, -0.0157661600000000 ] - [ -0.0004809400000000, 0.0000000000000000, -0.0025439300000000 ] - [ -0.0025806900000000, 0.0207488000000000, -0.0157661600000000 ] - [ -0.0229182700000000, 0.0000000000000000, 0.0653663400000000 ] - [ -0.0025718500000000, 0.0062611900000000, 0.0044403300000000 ] - [ -0.0025718500000000, -0.0062611900000000, 0.0044403300000000 ] - [ -0.0037075800000000, -0.0055128200000000, 0.0107884700000000 ] - [ -0.0005022400000000, 0.0000000000000000, 0.0024039000000000 ] - [ -0.0037075800000000, 0.0055128200000000, 0.0107884700000000 ] - [ 0.0002691800000000, 0.0000039000000000, -0.0003972600000000 ] - [ 0.0000910600000000, 0.0000000000000000, -0.0000473300000000 ] - [ 0.0002691800000000, -0.0000039000000000, -0.0003972600000000 ] - [ -0.0016775700000000, 0.0000000000000000, 0.0021088200000000 ] - [ -0.0007648300000000, -0.0000173700000000, 0.0002170100000000 ] - [ -0.0007648300000000, 0.0000173700000000, 0.0002170100000000 ] - [ -0.0001311500000000, 0.0000682400000000, -0.0001035800000000 ] - [ 0.0006656900000000, 0.0000000000000000, -0.0000797600000000 ] - [ -0.0001311500000000, -0.0000682400000000, -0.0001035800000000 ] - [ -0.0049438700000000, 0.0000000000000000, 0.0000539900000000 ] - [ -0.0011506500000000, 0.0004247900000000, -0.0006700800000000 ] - [ -0.0011506500000000, -0.0004247900000000, -0.0006700800000000 ] - [ -0.0015260500000000, -0.0001127400000000, -0.0003157600000000 ] - [ -0.0014634300000000, 0.0000000000000000, -0.0001549400000000 ] - [ -0.0015260500000000, 0.0001127400000000, -0.0003157600000000 ] - [ 0.0101372400000000, 0.0000000000000000, -0.0049274200000000 ] - [ 0.0001142200000000, -0.0007915800000000, 0.0001646200000000 ] - [ 0.0001142200000000, 0.0007915800000000, 0.0001646200000000 ] - [ 0.0007483100000000, 0.0000370400000000, 0.0005782900000000 ] - [ 0.0004917000000000, 0.0000000000000000, 0.0004494300000000 ] - [ 0.0007483100000000, -0.0000370400000000, 0.0005782900000000 ] - [ -0.0143558000000000, 0.0000000000000000, -0.0136544100000000 ] - [ -0.0005117400000000, 0.0002237100000000, -0.0005284500000000 ] - [ -0.0005117400000000, -0.0002237100000000, -0.0005284500000000 ] - [ -0.0015003600000000, 0.0000000000000000, 0.0069430700000000 ] - [ -0.0002342000000000, -0.0001148300000000, 0.0010237300000000 ] - [ -0.0002342000000000, 0.0001148300000000, 0.0010237300000000 ] - [ 0.0227539900000000, 0.0000000000000000, 0.0211845100000000 ] - [ 0.0000209800000000, -0.0006323300000000, -0.0000686800000000 ] - [ 0.0000209800000000, 0.0006323300000000, -0.0000686800000000 ] - [ -0.0014861100000000, 0.0000000000000000, -0.0000605100000000 ] - [ -0.0002474500000000, 0.0001461800000000, -0.0000465100000000 ] - [ -0.0002474500000000, -0.0001461800000000, -0.0000465100000000 ] - [ -0.0008685400000000, -0.0000791300000000, -0.0006912400000000 ] - [ -0.0000838900000000, 0.0000000000000000, 0.0000409500000000 ] - [ -0.0008685400000000, 0.0000791300000000, -0.0006912400000000 ] - [ 0.0000199200000000, 0.0000018900000000, 0.0005529800000000 ] - [ 0.0000325400000000, 0.0000000000000000, 0.0000183400000000 ] - [ 0.0000199200000000, -0.0000018900000000, 0.0005529800000000 ] - [ -0.0004692200000000, -0.0000557100000000, -0.0006609100000000 ] - [ -0.0002292300000000, 0.0000000000000000, -0.0003003700000000 ] - [ -0.0004692200000000, 0.0000557100000000, -0.0006609100000000 ] - [ -0.0052424900000000, 0.0000000000000000, -0.0395807300000000 ] - [ -0.0017999500000000, -0.0000516300000000, -0.0063390500000000 ] - [ -0.0017999500000000, 0.0000516300000000, -0.0063390500000000 ] - [ -0.0038504700000000, -0.0012612000000000, -0.0122480300000000 ] - [ -0.0008825400000000, 0.0000000000000000, -0.0033001700000000 ] - [ -0.0038504700000000, 0.0012612000000000, -0.0122480300000000 ] - [ 0.0447370500000000, 0.0000000000000000, 0.1441472800000000 ] - [ -0.0006733400000000, 0.0012476000000000, 0.0032504600000000 ] - [ -0.0006733400000000, -0.0012476000000000, 0.0032504600000000 ] - [ -0.0055542200000000, -0.0006905000000000, 0.0091732700000000 ] - [ -0.0009120900000000, 0.0000000000000000, 0.0013651300000000 ] - [ -0.0055542200000000, 0.0006905000000000, 0.0091732700000000 ] - [ -0.0507042000000000, 0.0000000000000000, 0.0269255800000000 ] - [ -0.0000439800000000, -0.0009583900000000, 0.0013947500000000 ] - [ -0.0000439800000000, 0.0009583900000000, 0.0013947500000000 ] - [ 0.0017334100000000, 0.0019112200000000, -0.0002369400000000 ] - [ -0.0002495200000000, 0.0000000000000000, 0.0001179500000000 ] - [ 0.0017334100000000, -0.0019112200000000, -0.0002369400000000 ] - [ 0.0050628000000000, 0.0000000000000000, -0.0064682500000000 ] - [ 0.0006227600000000, -0.0003029400000000, -0.0006236900000000 ] - [ 0.0006227600000000, 0.0003029400000000, -0.0006236900000000 ] - [ 0.0015108300000000, 0.0003792900000000, -0.0006253500000000 ] - [ 0.0003336100000000, 0.0000000000000000, -0.0002001600000000 ] - [ 0.0015108300000000, -0.0003792900000000, -0.0006253500000000 ] - [ 0.0140556500000000, 0.0000000000000000, -0.0041553400000000 ] - [ 0.0014669000000000, 0.0021635400000000, -0.0022327100000000 ] - [ 0.0014669000000000, -0.0021635400000000, -0.0022327100000000 ] - [ 0.0015077800000000, -0.0090449600000000, -0.0041698400000000 ] - [ -0.0002011400000000, 0.0000000000000000, 0.0000123300000000 ] - [ 0.0015077800000000, 0.0090449600000000, -0.0041698400000000 ] - [ 0.0099087300000000, 0.0000000000000000, 0.0148414000000000 ] - [ -0.0021932500000000, 0.0025079000000000, 0.0012751800000000 ] - [ -0.0021932500000000, -0.0025079000000000, 0.0012751800000000 ] - [ -0.0037862600000000, 0.0019633800000000, 0.0171964200000000 ] - [ -0.0023459500000000, 0.0000000000000000, 0.0006274300000000 ] - [ -0.0037862600000000, -0.0019633800000000, 0.0171964200000000 ] - [ -0.0010738700000000, 0.0000000000000000, -0.0094816200000000 ] - [ 0.0020591700000000, -0.0038824500000000, 0.0017134000000000 ] - [ 0.0020591700000000, 0.0038824500000000, 0.0017134000000000 ] - [ 0.0055935800000000, 0.0126722300000000, -0.0001805100000000 ] - [ -0.0005840200000000, 0.0000000000000000, 0.0009546400000000 ] - [ 0.0055935800000000, -0.0126722300000000, -0.0001805100000000 ] - [ -0.0002177800000000, 0.0000182100000000, 0.0000736500000000 ] - [ -0.0002227600000000, 0.0000000000000000, 0.0001008100000000 ] - [ -0.0002177800000000, -0.0000182100000000, 0.0000736500000000 ] - [ -0.0011577600000000, 0.0000000000000000, -0.0028971300000000 ] - [ -0.0000079500000000, 0.0000524300000000, -0.0008492500000000 ] - [ -0.0000079500000000, -0.0000524300000000, -0.0008492500000000 ] - [ 0.0004755500000000, 0.0000184000000000, 0.0004014200000000 ] - [ 0.0002218900000000, 0.0000000000000000, 0.0001367200000000 ] - [ 0.0004755500000000, -0.0000184000000000, 0.0004014200000000 ] - [ 0.0028297000000000, 0.0000000000000000, -0.0008097300000000 ] - [ 0.0009023700000000, -0.0001362100000000, 0.0000415900000000 ] - [ 0.0009023700000000, 0.0001362100000000, 0.0000415900000000 ] - [ 0.0010739500000000, 0.0000533400000000, 0.0007126500000000 ] - [ 0.0002867700000000, 0.0000000000000000, 0.0003051600000000 ] - [ 0.0010739500000000, -0.0000533400000000, 0.0007126500000000 ] - [ 0.0073441200000000, 0.0000000000000000, 0.0092811700000000 ] - [ 0.0001662800000000, -0.0000624800000000, 0.0006917000000000 ] - [ 0.0001662800000000, 0.0000624800000000, 0.0006917000000000 ] - [ -0.0007860500000000, -0.0000177900000000, -0.0003823200000000 ] - [ -0.0006891700000000, 0.0000000000000000, -0.0000431900000000 ] - [ -0.0007860500000000, 0.0000177900000000, -0.0003823200000000 ] - [ -0.0188682300000000, 0.0000000000000000, -0.0126169100000000 ] - [ -0.0001464200000000, 0.0005527000000000, -0.0006139300000000 ] - [ -0.0001464200000000, -0.0005527000000000, -0.0006139300000000 ] - [ 0.0002320400000000, 0.0010819400000000, -0.0005866900000000 ] - [ 0.0008509200000000, 0.0000000000000000, -0.0008468200000000 ] - [ 0.0002320400000000, -0.0010819400000000, -0.0005866900000000 ] - [ 0.0007504300000000, 0.0000000000000000, 0.0006180500000000 ] - [ 0.0006945700000000, 0.0000919600000000, 0.0006148300000000 ] - [ 0.0006945700000000, -0.0000919600000000, 0.0006148300000000 ] - [ 0.0009614300000000, -0.0005803800000000, 0.0003768900000000 ] - [ 0.0005606500000000, 0.0000000000000000, 0.0001838800000000 ] - [ 0.0009614300000000, 0.0005803800000000, 0.0003768900000000 ] - [ -0.0001289700000000, 0.0000000000000000, -0.0000465100000000 ] - [ -0.0005176800000000, 0.0000438200000000, -0.0000165900000000 ] - [ -0.0005176800000000, -0.0000438200000000, -0.0000165900000000 ] - [ 0.0019406500000000, -0.0000115500000000, -0.0001504800000000 ] - [ 0.0017771500000000, 0.0000000000000000, -0.0001481000000000 ] - [ 0.0019406500000000, 0.0000115500000000, -0.0001504800000000 ] - [ -0.0011378900000000, 0.0000000000000000, 0.0016192300000000 ] - [ -0.0010036800000000, 0.0001110700000000, 0.0007428400000000 ] - [ -0.0010036800000000, -0.0001110700000000, 0.0007428400000000 ]- atom: 7 displacement: [ 0.0020604768976038, 0.0000000000000000, -0.0097854195083523 ] forces: - [ 0.0697405100000000, 0.0000000000000000, -0.0608818000000000 ] - [ -0.0022608600000000, 0.0080478300000000, -0.0039734600000000 ] - [ -0.0022608600000000, -0.0080478300000000, -0.0039734600000000 ] - [ -0.0156691400000000, -0.0310177500000000, -0.0101968900000000 ] - [ -0.0030230200000000, 0.0000000000000000, -0.0016687600000000 ] - [ -0.0156691400000000, 0.0310177500000000, -0.0101968900000000 ] - [ -0.0567076200000000, 0.0000000000000000, 0.3015982400000000 ] - [ -0.0004626600000000, -0.0034001500000000, 0.0053517300000000 ] - [ -0.0004626600000000, 0.0034001500000000, 0.0053517300000000 ] - [ 0.0011463700000000, 0.0207061700000000, 0.0153401800000000 ] - [ -0.0008342600000000, 0.0000000000000000, 0.0020859200000000 ] - [ 0.0011463700000000, -0.0207061700000000, 0.0153401800000000 ] - [ 0.0196988200000000, 0.0000000000000000, -0.0650900200000000 ] - [ -0.0002712700000000, -0.0061999600000000, -0.0047205200000000 ] - [ -0.0002712700000000, 0.0061999600000000, -0.0047205200000000 ] - [ 0.0030108800000000, 0.0055221100000000, -0.0095804300000000 ] - [ -0.0002122900000000, 0.0000000000000000, -0.0012312100000000 ] - [ 0.0030108800000000, -0.0055221100000000, -0.0095804300000000 ] - [ 0.0000854000000000, 0.0000031400000000, 0.0005827800000000 ] - [ 0.0002704600000000, 0.0000000000000000, 0.0002373200000000 ] - [ 0.0000854000000000, -0.0000031400000000, 0.0005827800000000 ] - [ 0.0013388900000000, 0.0000000000000000, -0.0023581300000000 ] - [ 0.0004455200000000, 0.0000204800000000, -0.0004685900000000 ] - [ 0.0004455200000000, -0.0000204800000000, -0.0004685900000000 ] - [ 0.0021925400000000, -0.0000631800000000, 0.0001851500000000 ] - [ 0.0013999000000000, 0.0000000000000000, 0.0001577000000000 ] - [ 0.0021925400000000, 0.0000631800000000, 0.0001851500000000 ] - [ 0.0036181400000000, 0.0000000000000000, -0.0004988600000000 ] - [ -0.0001220100000000, -0.0004172500000000, 0.0002151600000000 ] - [ -0.0001220100000000, 0.0004172500000000, 0.0002151600000000 ] - [ -0.0013210500000000, 0.0001164600000000, 0.0000548100000000 ] - [ -0.0013860000000000, 0.0000000000000000, -0.0001055600000000 ] - [ -0.0013210500000000, -0.0001164600000000, 0.0000548100000000 ] - [ -0.0108996800000000, 0.0000000000000000, 0.0060754400000000 ] - [ -0.0008200800000000, 0.0008020800000000, 0.0009923300000000 ] - [ -0.0008200800000000, -0.0008020800000000, 0.0009923300000000 ] - [ -0.0001036900000000, -0.0000349500000000, 0.0000752000000000 ] - [ 0.0001470100000000, 0.0000000000000000, 0.0002006300000000 ] - [ -0.0001036900000000, 0.0000349500000000, 0.0000752000000000 ] - [ 0.0141592500000000, 0.0000000000000000, 0.0140110000000000 ] - [ 0.0005465100000000, -0.0002219300000000, 0.0008768700000000 ] - [ 0.0005465100000000, 0.0002219300000000, 0.0008768700000000 ] - [ 0.0016235700000000, 0.0000000000000000, -0.0073774300000000 ] - [ 0.0003567200000000, 0.0001165600000000, -0.0014728800000000 ] - [ 0.0003567200000000, -0.0001165600000000, -0.0014728800000000 ] - [ -0.0230217300000000, 0.0000000000000000, -0.0216253100000000 ] - [ -0.0002310200000000, 0.0006367100000000, -0.0002737700000000 ] - [ -0.0002310200000000, -0.0006367100000000, -0.0002737700000000 ] - [ 0.0021124800000000, 0.0000000000000000, 0.0007072600000000 ] - [ 0.0008940600000000, -0.0001446900000000, 0.0007013700000000 ] - [ 0.0008940600000000, 0.0001446900000000, 0.0007013700000000 ] - [ 0.0008800200000000, 0.0000788900000000, 0.0010183600000000 ] - [ 0.0000964100000000, 0.0000000000000000, 0.0002878500000000 ] - [ 0.0008800200000000, -0.0000788900000000, 0.0010183600000000 ] - [ 0.0001019900000000, -0.0000013200000000, -0.0009972300000000 ] - [ 0.0000888200000000, 0.0000000000000000, -0.0004637800000000 ] - [ 0.0001019900000000, 0.0000013200000000, -0.0009972300000000 ] - [ 0.0002411400000000, 0.0000559600000000, 0.0003051300000000 ] - [ 0.0000012300000000, 0.0000000000000000, -0.0000566100000000 ] - [ 0.0002411400000000, -0.0000559600000000, 0.0003051300000000 ] - [ 0.0046603900000000, 0.0000000000000000, 0.0395969800000000 ] - [ 0.0012807300000000, 0.0000433300000000, 0.0064922500000000 ] - [ 0.0012807300000000, -0.0000433300000000, 0.0064922500000000 ] - [ 0.0038525400000000, 0.0012523200000000, 0.0111459700000000 ] - [ 0.0008877000000000, 0.0000000000000000, 0.0021936400000000 ] - [ 0.0038525400000000, -0.0012523200000000, 0.0111459700000000 ] - [ -0.0464728300000000, 0.0000000000000000, -0.1549483800000000 ] - [ 0.0008143500000000, -0.0012587400000000, -0.0033318300000000 ] - [ 0.0008143500000000, 0.0012587400000000, -0.0033318300000000 ] - [ 0.0058924600000000, 0.0006717900000000, -0.0092715200000000 ] - [ 0.0012719900000000, 0.0000000000000000, -0.0015187400000000 ] - [ 0.0058924600000000, -0.0006717900000000, -0.0092715200000000 ] - [ 0.0490849300000000, 0.0000000000000000, -0.0265417000000000 ] - [ 0.0002175000000000, 0.0009607700000000, -0.0009119000000000 ] - [ 0.0002175000000000, -0.0009607700000000, -0.0009119000000000 ] - [ -0.0019724300000000, -0.0019121900000000, -0.0000477300000000 ] - [ -0.0000160100000000, 0.0000000000000000, -0.0003677900000000 ] - [ -0.0019724300000000, 0.0019121900000000, -0.0000477300000000 ] - [ -0.0062594200000000, 0.0000000000000000, 0.0067187000000000 ] - [ -0.0018499300000000, 0.0002976900000000, 0.0009132100000000 ] - [ -0.0018499300000000, -0.0002976900000000, 0.0009132100000000 ] - [ -0.0013379100000000, -0.0003790400000000, 0.0005597300000000 ] - [ -0.0001567700000000, 0.0000000000000000, 0.0001392400000000 ] - [ -0.0013379100000000, 0.0003790400000000, 0.0005597300000000 ] - [ -0.0121396300000000, 0.0000000000000000, 0.0023010300000000 ] - [ 0.0004518800000000, -0.0021720700000000, 0.0003750200000000 ] - [ 0.0004518800000000, 0.0021720700000000, 0.0003750200000000 ] - [ -0.0003861700000000, 0.0089576900000000, 0.0053836100000000 ] - [ 0.0012929900000000, 0.0000000000000000, 0.0012200400000000 ] - [ -0.0003861700000000, -0.0089576900000000, 0.0053836100000000 ] - [ -0.0091479600000000, 0.0000000000000000, -0.0151065700000000 ] - [ 0.0028740000000000, -0.0024770800000000, -0.0011887800000000 ] - [ 0.0028740000000000, 0.0024770800000000, -0.0011887800000000 ] - [ 0.0020799300000000, -0.0021220600000000, -0.0175569800000000 ] - [ 0.0008160300000000, 0.0000000000000000, -0.0007162400000000 ] - [ 0.0020799300000000, 0.0021220600000000, -0.0175569800000000 ] - [ 0.0046231600000000, 0.0000000000000000, 0.0103972000000000 ] - [ 0.0012152600000000, 0.0038360500000000, -0.0020036900000000 ] - [ 0.0012152600000000, -0.0038360500000000, -0.0020036900000000 ] - [ -0.0077143000000000, -0.0126516000000000, 0.0011648800000000 ] - [ -0.0014957100000000, 0.0000000000000000, 0.0000317600000000 ] - [ -0.0077143000000000, 0.0126516000000000, 0.0011648800000000 ] - [ -0.0002893600000000, -0.0000186400000000, 0.0001092100000000 ] - [ -0.0002873300000000, 0.0000000000000000, 0.0000779100000000 ] - [ -0.0002893600000000, 0.0000186400000000, 0.0001092100000000 ] - [ 0.0011668900000000, 0.0000000000000000, 0.0017947600000000 ] - [ 0.0000146800000000, -0.0000539400000000, -0.0002460900000000 ] - [ 0.0000146800000000, 0.0000539400000000, -0.0002460900000000 ] - [ -0.0003313400000000, -0.0000193200000000, -0.0004237400000000 ] - [ -0.0000810400000000, 0.0000000000000000, -0.0001530900000000 ] - [ -0.0003313400000000, 0.0000193200000000, -0.0004237400000000 ] - [ -0.0024498600000000, 0.0000000000000000, 0.0006331100000000 ] - [ -0.0005412500000000, 0.0001346600000000, -0.0002199500000000 ] - [ -0.0005412500000000, -0.0001346600000000, -0.0002199500000000 ] - [ -0.0008451400000000, -0.0000533100000000, -0.0002565900000000 ] - [ -0.0000580000000000, 0.0000000000000000, 0.0001489300000000 ] - [ -0.0008451400000000, 0.0000533100000000, -0.0002565900000000 ] - [ -0.0075479000000000, 0.0000000000000000, -0.0094935600000000 ] - [ -0.0004602000000000, 0.0000602500000000, -0.0009371500000000 ] - [ -0.0004602000000000, -0.0000602500000000, -0.0009371500000000 ] - [ -0.0004342500000000, 0.0000170900000000, 0.0006677700000000 ] - [ -0.0005272000000000, 0.0000000000000000, 0.0003285000000000 ] - [ -0.0004342500000000, -0.0000170900000000, 0.0006677700000000 ] - [ 0.0190749700000000, 0.0000000000000000, 0.0125490300000000 ] - [ 0.0003033100000000, -0.0005575900000000, 0.0005499400000000 ] - [ 0.0003033100000000, 0.0005575900000000, 0.0005499400000000 ] - [ 0.0016884700000000, -0.0010942300000000, -0.0012624700000000 ] - [ 0.0010653200000000, 0.0000000000000000, -0.0010037700000000 ] - [ 0.0016884700000000, 0.0010942300000000, -0.0012624700000000 ] - [ 0.0003492000000000, 0.0000000000000000, 0.0006080100000000 ] - [ 0.0004031400000000, -0.0000949200000000, 0.0006104300000000 ] - [ 0.0004031400000000, 0.0000949200000000, 0.0006104300000000 ] - [ -0.0003073100000000, 0.0005698400000000, -0.0002814700000000 ] - [ 0.0000914000000000, 0.0000000000000000, -0.0000861500000000 ] - [ -0.0003073100000000, -0.0005698400000000, -0.0002814700000000 ] - [ -0.0014301100000000, 0.0000000000000000, -0.0000712600000000 ] - [ -0.0010500500000000, -0.0000460400000000, -0.0001004300000000 ] - [ -0.0010500500000000, 0.0000460400000000, -0.0001004300000000 ] - [ 0.0013319100000000, 0.0000059100000000, -0.0001705700000000 ] - [ 0.0014947700000000, 0.0000000000000000, -0.0001732800000000 ] - [ 0.0013319100000000, -0.0000059100000000, -0.0001705700000000 ] - [ -0.0009397400000000, 0.0000000000000000, -0.0006208300000000 ] - [ -0.0010804600000000, -0.0001171200000000, 0.0002528700000000 ] - [ -0.0010804600000000, 0.0001171200000000, 0.0002528700000000 ]- atom: 10 displacement: [ 0.0099999983408567, 0.0000000000000000, 0.0000057604567923 ] forces: - [ -0.0120205000000000, 0.0050646200000000, 0.0115760600000000 ] - [ -0.0120205000000000, -0.0050646200000000, 0.0115760600000000 ] - [ -0.0025120000000000, 0.0000000000000000, 0.0016533400000000 ] - [ -0.0163638900000000, 0.0000000000000000, -0.0305029500000000 ] - [ -0.0023333700000000, -0.0010976400000000, -0.0046709500000000 ] - [ -0.0023333700000000, 0.0010976400000000, -0.0046709500000000 ] - [ 0.0163529300000000, 0.0350624600000000, 0.0013773300000000 ] - [ 0.0163529300000000, -0.0350624600000000, 0.0013773300000000 ] - [ 0.0030498700000000, 0.0000000000000000, 0.0006363800000000 ] - [ -0.2859517300000000, 0.0000000000000000, 0.0432677600000000 ] - [ -0.0081357500000000, -0.0054733000000000, 0.0002599200000000 ] - [ -0.0081357500000000, 0.0054733000000000, 0.0002599200000000 ] - [ -0.0000237400000000, 0.0008560600000000, -0.0043887200000000 ] - [ -0.0000237400000000, -0.0008560600000000, -0.0043887200000000 ] - [ -0.0000431700000000, 0.0000000000000000, -0.0010628200000000 ] - [ -0.0235716500000000, 0.0000000000000000, -0.0748096700000000 ] - [ -0.0029369900000000, 0.0070439900000000, -0.0000350700000000 ] - [ -0.0029369900000000, -0.0070439900000000, -0.0000350700000000 ] - [ 0.0055656100000000, 0.0000000000000000, 0.0001695100000000 ] - [ 0.0017355300000000, 0.0006329200000000, 0.0002847400000000 ] - [ 0.0017355300000000, -0.0006329200000000, 0.0002847400000000 ] - [ 0.0026810200000000, -0.0012672600000000, 0.0012576500000000 ] - [ 0.0026810200000000, 0.0012672600000000, 0.0012576500000000 ] - [ 0.0014535600000000, 0.0000000000000000, 0.0005735000000000 ] - [ 0.0130603100000000, 0.0000000000000000, -0.0018163600000000 ] - [ 0.0019966600000000, 0.0018914500000000, -0.0002843900000000 ] - [ 0.0019966600000000, -0.0018914500000000, -0.0002843900000000 ] - [ 0.0027293600000000, -0.0009209300000000, -0.0006736900000000 ] - [ 0.0027293600000000, 0.0009209300000000, -0.0006736900000000 ] - [ 0.0012003200000000, 0.0000000000000000, -0.0002348800000000 ] - [ 0.0028606200000000, 0.0000000000000000, 0.0071751900000000 ] - [ -0.0018911100000000, 0.0018888800000000, 0.0007745900000000 ] - [ -0.0018911100000000, -0.0018888800000000, 0.0007745900000000 ] - [ 0.0036640200000000, -0.0004249800000000, 0.0013576600000000 ] - [ 0.0036640200000000, 0.0004249800000000, 0.0013576600000000 ] - [ 0.0021779700000000, 0.0000000000000000, 0.0009600400000000 ] - [ -0.0031548600000000, 0.0000000000000000, 0.0001285300000000 ] - [ -0.0014797200000000, 0.0003788400000000, -0.0008978200000000 ] - [ -0.0014797200000000, -0.0003788400000000, -0.0008978200000000 ] - [ 0.0025462000000000, 0.0000820000000000, 0.0021551800000000 ] - [ 0.0025462000000000, -0.0000820000000000, 0.0021551800000000 ] - [ 0.0012341500000000, 0.0000000000000000, 0.0010863400000000 ] - [ 0.0003722500000000, 0.0000108700000000, -0.0009139000000000 ] - [ 0.0003722500000000, -0.0000108700000000, -0.0009139000000000 ] - [ 0.0003751900000000, 0.0000000000000000, -0.0009163200000000 ] - [ 0.0025072000000000, 0.0000493800000000, 0.0019405400000000 ] - [ 0.0025072000000000, -0.0000493800000000, 0.0019405400000000 ] - [ 0.0010325700000000, 0.0000000000000000, 0.0006923800000000 ] - [ 0.0018209000000000, 0.0000063100000000, 0.0013321500000000 ] - [ 0.0018209000000000, -0.0000063100000000, 0.0013321500000000 ] - [ 0.0014226900000000, 0.0000000000000000, 0.0011437000000000 ] - [ 0.0233167100000000, 0.0000000000000000, 0.0150476300000000 ] - [ -0.0009309900000000, 0.0008835500000000, -0.0005743700000000 ] - [ -0.0009309900000000, -0.0008835500000000, -0.0005743700000000 ] - [ 0.0013683600000000, 0.0000000000000000, -0.0037915300000000 ] - [ -0.0000768900000000, 0.0001444000000000, -0.0000127300000000 ] - [ -0.0000768900000000, -0.0001444000000000, -0.0000127300000000 ] - [ 0.0035005100000000, 0.0000000000000000, -0.0001869500000000 ] - [ -0.0004655500000000, 0.0003172700000000, -0.0005213900000000 ] - [ -0.0004655500000000, -0.0003172700000000, -0.0005213900000000 ] - [ 0.0001989200000000, 0.0000711100000000, 0.0001781800000000 ] - [ 0.0001989200000000, -0.0000711100000000, 0.0001781800000000 ] - [ -0.0002363800000000, 0.0000000000000000, 0.0002597000000000 ] - [ 0.0094939600000000, 0.0000000000000000, 0.0211204100000000 ] - [ 0.0016682400000000, -0.0008091400000000, 0.0040008800000000 ] - [ 0.0016682400000000, 0.0008091400000000, 0.0040008800000000 ] - [ 0.0016295900000000, -0.0024608400000000, -0.0078812200000000 ] - [ 0.0016295900000000, 0.0024608400000000, -0.0078812200000000 ] - [ 0.0000140300000000, 0.0000000000000000, -0.0020211100000000 ] - [ 0.0285601400000000, 0.0000000000000000, 0.0150215100000000 ] - [ 0.0020630400000000, 0.0000903600000000, 0.0026155800000000 ] - [ 0.0020630400000000, -0.0000903600000000, 0.0026155800000000 ] - [ -0.0051806300000000, -0.0015860200000000, 0.0025441300000000 ] - [ -0.0051806300000000, 0.0015860200000000, 0.0025441300000000 ] - [ -0.0015875800000000, 0.0000000000000000, 0.0003240700000000 ] - [ 0.1648308500000000, 0.0000000000000000, -0.0370239800000000 ] - [ 0.0050768800000000, -0.0017301000000000, -0.0023377900000000 ] - [ 0.0050768800000000, 0.0017301000000000, -0.0023377900000000 ] - [ -0.0025492200000000, -0.0000289000000000, 0.0003894900000000 ] - [ -0.0025492200000000, 0.0000289000000000, 0.0003894900000000 ] - [ -0.0022202800000000, 0.0000000000000000, 0.0002682900000000 ] - [ -0.0029461300000000, 0.0000000000000000, 0.0065166300000000 ] - [ 0.0015939900000000, -0.0006321100000000, 0.0000089600000000 ] - [ 0.0015939900000000, 0.0006321100000000, 0.0000089600000000 ] - [ 0.0115660200000000, 0.0120564400000000, 0.0024615700000000 ] - [ 0.0115660200000000, -0.0120564400000000, 0.0024615700000000 ] - [ 0.0035349300000000, 0.0000000000000000, -0.0012547800000000 ] - [ 0.0023936500000000, 0.0000000000000000, 0.0030921100000000 ] - [ 0.0008686600000000, 0.0009122600000000, 0.0011252900000000 ] - [ 0.0008686600000000, -0.0009122600000000, 0.0011252900000000 ] - [ 0.0242582300000000, 0.0131536800000000, 0.0013780200000000 ] - [ 0.0242582300000000, -0.0131536800000000, 0.0013780200000000 ] - [ -0.0003311200000000, 0.0000000000000000, -0.0011259600000000 ] - [ -0.0001853300000000, 0.0000000000000000, 0.0068355300000000 ] - [ 0.0016147400000000, 0.0053600400000000, 0.0011042600000000 ] - [ 0.0016147400000000, -0.0053600400000000, 0.0011042600000000 ] - [ 0.0028801000000000, -0.0009468400000000, 0.0047845600000000 ] - [ 0.0028801000000000, 0.0009468400000000, 0.0047845600000000 ] - [ 0.0015905100000000, 0.0000000000000000, 0.0008841100000000 ] - [ 0.0248573900000000, 0.0000000000000000, 0.0099315500000000 ] - [ 0.0011674200000000, 0.0010858900000000, -0.0012545200000000 ] - [ 0.0011674200000000, -0.0010858900000000, -0.0012545200000000 ] - [ -0.0015322200000000, 0.0000000000000000, -0.0020675400000000 ] - [ -0.0004933600000000, -0.0002321000000000, -0.0006237900000000 ] - [ -0.0004933600000000, 0.0002321000000000, -0.0006237900000000 ] - [ -0.0011341900000000, 0.0001447300000000, -0.0023891100000000 ] - [ -0.0011341900000000, -0.0001447300000000, -0.0023891100000000 ] - [ -0.0006767900000000, 0.0000000000000000, -0.0015915400000000 ] - [ -0.0041850000000000, 0.0000000000000000, 0.0011007700000000 ] - [ -0.0003248500000000, -0.0003653300000000, 0.0005528700000000 ] - [ -0.0003248500000000, 0.0003653300000000, 0.0005528700000000 ] - [ -0.0016140100000000, 0.0001518300000000, -0.0003906800000000 ] - [ -0.0016140100000000, -0.0001518300000000, -0.0003906800000000 ] - [ -0.0009965100000000, 0.0000000000000000, -0.0004255100000000 ] - [ -0.0177031100000000, 0.0000000000000000, -0.0088333600000000 ] - [ 0.0002957000000000, -0.0008626800000000, 0.0004837700000000 ] - [ 0.0002957000000000, 0.0008626800000000, 0.0004837700000000 ] - [ -0.0031193100000000, 0.0000319400000000, -0.0006651900000000 ] - [ -0.0031193100000000, -0.0000319400000000, -0.0006651900000000 ] - [ -0.0017499200000000, 0.0000000000000000, -0.0003946400000000 ] - [ 0.0003082900000000, 0.0000000000000000, 0.0035578600000000 ] - [ 0.0009000500000000, -0.0003849300000000, 0.0005464000000000 ] - [ 0.0009000500000000, 0.0003849300000000, 0.0005464000000000 ] - [ -0.0036315000000000, -0.0000296800000000, -0.0005319200000000 ] - [ -0.0036315000000000, 0.0000296800000000, -0.0005319200000000 ] - [ -0.0020519000000000, 0.0000000000000000, 0.0000152900000000 ] - [ -0.0011606800000000, 0.0000000000000000, -0.0009303000000000 ] - [ -0.0000562800000000, -0.0001030000000000, -0.0009440700000000 ] - [ -0.0000562800000000, 0.0001030000000000, -0.0009440700000000 ] - [ -0.0006418300000000, 0.0023413100000000, 0.0000521500000000 ] - [ -0.0006418300000000, -0.0023413100000000, 0.0000521500000000 ] - [ 0.0000574400000000, 0.0000000000000000, 0.0005484500000000 ] - [ -0.0023730800000000, 0.0000000000000000, -0.0000801100000000 ] - [ -0.0004062200000000, -0.0004053500000000, 0.0000518000000000 ] - [ -0.0004062200000000, 0.0004053500000000, 0.0000518000000000 ] - [ -0.0025976500000000, 0.0025421000000000, -0.0004213000000000 ] - [ -0.0025976500000000, -0.0025421000000000, -0.0004213000000000 ] - [ -0.0015430100000000, 0.0000000000000000, -0.0002593300000000 ] - [ -0.0006714500000000, 0.0000000000000000, -0.0015199300000000 ] - [ 0.0012999400000000, -0.0005825800000000, -0.0003526100000000 ] - [ 0.0012999400000000, 0.0005825800000000, -0.0003526100000000 ] - [ -0.0023009400000000, 0.0009323900000000, 0.0003953700000000 ] - [ -0.0023009400000000, -0.0009323900000000, 0.0003953700000000 ] - [ -0.0017978100000000, 0.0000000000000000, 0.0003911900000000 ]- atom: 10 displacement: [ -0.0099999983408567, 0.0000000000000000, -0.0000057604567923 ] forces: - [ 0.0125345900000000, -0.0051827500000000, -0.0113952900000000 ] - [ 0.0125345900000000, 0.0051827500000000, -0.0113952900000000 ] - [ 0.0028982600000000, 0.0000000000000000, -0.0014631500000000 ] - [ 0.0165700300000000, 0.0000000000000000, 0.0303782800000000 ] - [ 0.0020555600000000, 0.0010797000000000, 0.0044277400000000 ] - [ 0.0020555600000000, -0.0010797000000000, 0.0044277400000000 ] - [ -0.0143764400000000, -0.0355809000000000, -0.0012636800000000 ] - [ -0.0143764400000000, 0.0355809000000000, -0.0012636800000000 ] - [ -0.0009653300000000, 0.0000000000000000, -0.0005690300000000 ] - [ 0.2755073100000000, 0.0000000000000000, -0.0388887500000000 ] - [ 0.0068147500000000, 0.0054166500000000, -0.0007227200000000 ] - [ 0.0068147500000000, -0.0054166500000000, -0.0007227200000000 ] - [ -0.0027977500000000, -0.0008556900000000, 0.0041561600000000 ] - [ -0.0027977500000000, 0.0008556900000000, 0.0041561600000000 ] - [ -0.0027938100000000, 0.0000000000000000, 0.0008144300000000 ] - [ 0.0229222500000000, 0.0000000000000000, 0.0757921600000000 ] - [ 0.0022220700000000, -0.0070480400000000, 0.0011826300000000 ] - [ 0.0022220700000000, 0.0070480400000000, 0.0011826300000000 ] - [ -0.0052199000000000, 0.0000000000000000, -0.0000154600000000 ] - [ -0.0013740400000000, -0.0006335600000000, -0.0001003400000000 ] - [ -0.0013740400000000, 0.0006335600000000, -0.0001003400000000 ] - [ -0.0030092700000000, 0.0012744700000000, -0.0015039200000000 ] - [ -0.0030092700000000, -0.0012744700000000, -0.0015039200000000 ] - [ -0.0017767400000000, 0.0000000000000000, -0.0008233400000000 ] - [ -0.0109191600000000, 0.0000000000000000, 0.0018833700000000 ] - [ 0.0000744600000000, -0.0018853000000000, 0.0003622600000000 ] - [ 0.0000744600000000, 0.0018853000000000, 0.0003622600000000 ] - [ -0.0040140100000000, 0.0009195600000000, 0.0002233300000000 ] - [ -0.0040140100000000, -0.0009195600000000, 0.0002233300000000 ] - [ -0.0024801800000000, 0.0000000000000000, -0.0002174100000000 ] - [ -0.0058225800000000, 0.0000000000000000, -0.0073636000000000 ] - [ -0.0009628400000000, -0.0018953800000000, -0.0010269000000000 ] - [ -0.0009628400000000, 0.0018953800000000, -0.0010269000000000 ] - [ -0.0043922200000000, 0.0004243100000000, -0.0002142200000000 ] - [ -0.0043922200000000, -0.0004243100000000, -0.0002142200000000 ] - [ -0.0028925600000000, 0.0000000000000000, 0.0001899500000000 ] - [ 0.0035316400000000, 0.0000000000000000, 0.0003655500000000 ] - [ 0.0021175000000000, -0.0003811400000000, 0.0015503900000000 ] - [ 0.0021175000000000, 0.0003811400000000, 0.0015503900000000 ] - [ -0.0025386600000000, -0.0000832500000000, -0.0018294300000000 ] - [ -0.0025386600000000, 0.0000832500000000, -0.0018294300000000 ] - [ -0.0012147400000000, 0.0000000000000000, -0.0007517100000000 ] - [ -0.0002485100000000, -0.0000111500000000, 0.0004584800000000 ] - [ -0.0002485100000000, 0.0000111500000000, 0.0004584800000000 ] - [ -0.0002521400000000, 0.0000000000000000, 0.0004645900000000 ] - [ -0.0027482300000000, -0.0000516200000000, -0.0023093600000000 ] - [ -0.0027482300000000, 0.0000516200000000, -0.0023093600000000 ] - [ -0.0012564400000000, 0.0000000000000000, -0.0010469100000000 ] - [ -0.0011764300000000, -0.0000060900000000, -0.0006743000000000 ] - [ -0.0011764300000000, 0.0000060900000000, -0.0006743000000000 ] - [ -0.0007772800000000, 0.0000000000000000, -0.0004869400000000 ] - [ -0.0230943200000000, 0.0000000000000000, -0.0146565400000000 ] - [ 0.0009461300000000, -0.0008770200000000, 0.0009052800000000 ] - [ 0.0009461300000000, 0.0008770200000000, 0.0009052800000000 ] - [ -0.0012383800000000, 0.0000000000000000, 0.0033363300000000 ] - [ 0.0001986200000000, -0.0001468100000000, -0.0004366700000000 ] - [ 0.0001986200000000, 0.0001468100000000, -0.0004366700000000 ] - [ -0.0037474200000000, 0.0000000000000000, -0.0002011300000000 ] - [ 0.0002367400000000, -0.0003171300000000, 0.0001625200000000 ] - [ 0.0002367400000000, 0.0003171300000000, 0.0001625200000000 ] - [ -0.0007225700000000, -0.0000650400000000, -0.0000102400000000 ] - [ -0.0007225700000000, 0.0000650400000000, -0.0000102400000000 ] - [ -0.0002753500000000, 0.0000000000000000, -0.0000706300000000 ] - [ -0.0095116100000000, 0.0000000000000000, -0.0222023000000000 ] - [ -0.0016687900000000, 0.0008090900000000, -0.0051123400000000 ] - [ -0.0016687900000000, -0.0008090900000000, -0.0051123400000000 ] - [ -0.0015333300000000, 0.0025091300000000, 0.0079183400000000 ] - [ -0.0015333300000000, -0.0025091300000000, 0.0079183400000000 ] - [ 0.0001154100000000, 0.0000000000000000, 0.0020058200000000 ] - [ -0.0280608800000000, 0.0000000000000000, -0.0153536800000000 ] - [ -0.0017193400000000, -0.0000824000000000, -0.0027678000000000 ] - [ -0.0017193400000000, 0.0000824000000000, -0.0027678000000000 ] - [ 0.0054152200000000, 0.0016004700000000, -0.0021103200000000 ] - [ 0.0054152200000000, -0.0016004700000000, -0.0021103200000000 ] - [ 0.0018060400000000, 0.0000000000000000, 0.0001215200000000 ] - [ -0.1556141500000000, 0.0000000000000000, 0.0319139100000000 ] - [ -0.0053257300000000, 0.0017077600000000, 0.0020961600000000 ] - [ -0.0053257300000000, -0.0017077600000000, 0.0020961600000000 ] - [ 0.0013172500000000, 0.0000282000000000, -0.0001017000000000 ] - [ 0.0013172500000000, -0.0000282000000000, -0.0001017000000000 ] - [ 0.0009908000000000, 0.0000000000000000, 0.0000196900000000 ] - [ 0.0031795000000000, 0.0000000000000000, -0.0065517600000000 ] - [ -0.0014246000000000, 0.0006332000000000, -0.0000649400000000 ] - [ -0.0014246000000000, -0.0006332000000000, -0.0000649400000000 ] - [ -0.0096917800000000, -0.0120869100000000, -0.0042518300000000 ] - [ -0.0096917800000000, 0.0120869100000000, -0.0042518300000000 ] - [ -0.0016307100000000, 0.0000000000000000, -0.0005900200000000 ] - [ -0.0013461800000000, 0.0000000000000000, -0.0018973500000000 ] - [ 0.0002196100000000, -0.0009153600000000, 0.0000965600000000 ] - [ 0.0002196100000000, 0.0009153600000000, 0.0000965600000000 ] - [ -0.0233869500000000, -0.0134168900000000, -0.0013557700000000 ] - [ -0.0233869500000000, 0.0134168900000000, -0.0013557700000000 ] - [ 0.0009439600000000, 0.0000000000000000, 0.0012147700000000 ] - [ -0.0027942500000000, 0.0000000000000000, -0.0066751800000000 ] - [ -0.0032260300000000, -0.0054280400000000, -0.0012352900000000 ] - [ -0.0032260300000000, 0.0054280400000000, -0.0012352900000000 ] - [ 0.0003308500000000, 0.0009277100000000, -0.0051685500000000 ] - [ 0.0003308500000000, -0.0009277100000000, -0.0051685500000000 ] - [ 0.0016712900000000, 0.0000000000000000, -0.0012176800000000 ] - [ -0.0267242700000000, 0.0000000000000000, -0.0088634000000000 ] - [ -0.0032724700000000, -0.0010760600000000, 0.0022251200000000 ] - [ -0.0032724700000000, 0.0010760600000000, 0.0022251200000000 ] - [ 0.0010555600000000, 0.0000000000000000, 0.0022909700000000 ] - [ -0.0000143600000000, 0.0002331700000000, 0.0008066900000000 ] - [ -0.0000143600000000, -0.0002331700000000, 0.0008066900000000 ] - [ 0.0011443000000000, -0.0001454200000000, 0.0012949900000000 ] - [ 0.0011443000000000, 0.0001454200000000, 0.0012949900000000 ] - [ 0.0006859700000000, 0.0000000000000000, 0.0004981300000000 ] - [ 0.0043288800000000, 0.0000000000000000, -0.0011043700000000 ] - [ 0.0004630700000000, 0.0003644500000000, -0.0005681400000000 ] - [ 0.0004630700000000, -0.0003644500000000, -0.0005681400000000 ] - [ 0.0019764800000000, -0.0001525900000000, 0.0002074900000000 ] - [ 0.0019764800000000, 0.0001525900000000, 0.0002074900000000 ] - [ 0.0013608500000000, 0.0000000000000000, 0.0002458800000000 ] - [ 0.0178286900000000, 0.0000000000000000, 0.0092498800000000 ] - [ -0.0000723800000000, 0.0008577300000000, -0.0000346300000000 ] - [ -0.0000723800000000, -0.0008577300000000, -0.0000346300000000 ] - [ 0.0028493900000000, -0.0000318500000000, 0.0004314500000000 ] - [ 0.0028493900000000, 0.0000318500000000, 0.0004314500000000 ] - [ 0.0014721500000000, 0.0000000000000000, 0.0001555700000000 ] - [ -0.0012989000000000, 0.0000000000000000, -0.0031515300000000 ] - [ -0.0021134000000000, 0.0003887400000000, -0.0002594600000000 ] - [ -0.0021134000000000, -0.0003887400000000, -0.0002594600000000 ] - [ 0.0038131200000000, 0.0000303700000000, 0.0004827000000000 ] - [ 0.0038131200000000, -0.0000303700000000, 0.0004827000000000 ] - [ 0.0022162400000000, 0.0000000000000000, -0.0000718600000000 ] - [ 0.0030809000000000, 0.0000000000000000, -0.0009177100000000 ] - [ 0.0019748500000000, 0.0001025400000000, -0.0009052500000000 ] - [ 0.0019748500000000, -0.0001025400000000, -0.0009052500000000 ] - [ 0.0017472700000000, -0.0023582500000000, 0.0011660200000000 ] - [ 0.0017472700000000, 0.0023582500000000, 0.0011660200000000 ] - [ 0.0010419900000000, 0.0000000000000000, 0.0006754500000000 ] - [ 0.0030164900000000, 0.0000000000000000, 0.0001794500000000 ] - [ 0.0010561600000000, 0.0004027500000000, 0.0000453800000000 ] - [ 0.0010561600000000, -0.0004027500000000, 0.0000453800000000 ] - [ 0.0010236400000000, -0.0025369900000000, 0.0003024800000000 ] - [ 0.0010236400000000, 0.0025369900000000, 0.0003024800000000 ] - [ -0.0000254900000000, 0.0000000000000000, 0.0001414500000000 ] - [ 0.0039623900000000, 0.0000000000000000, 0.0011893700000000 ] - [ 0.0019723600000000, 0.0005813900000000, 0.0000273200000000 ] - [ 0.0019723600000000, -0.0005813900000000, 0.0000273200000000 ] - [ 0.0002209000000000, -0.0009305500000000, 0.0006029800000000 ] - [ 0.0002209000000000, 0.0009305500000000, 0.0006029800000000 ] - [ -0.0002834000000000, 0.0000000000000000, 0.0006061100000000 ]- atom: 10 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0070338800000000, -0.0042040800000000, 0.0330727700000000 ] - [ -0.0066776900000000, -0.0041869600000000, -0.0332919900000000 ] - [ 0.0001862100000000, 0.0109829500000000, 0.0000773900000000 ] - [ 0.0001389900000000, -0.0115004200000000, -0.0002038600000000 ] - [ -0.0064658600000000, 0.0045906800000000, 0.0038228100000000 ] - [ 0.0061295000000000, 0.0046277300000000, -0.0040101600000000 ] - [ 0.0371098200000000, -0.0049912600000000, -0.0134268900000000 ] - [ -0.0354636200000000, -0.0049224900000000, 0.0136615900000000 ] - [ 0.0010216100000000, 0.0123826900000000, 0.0000449900000000 ] - [ 0.0010747200000000, -0.1854476600000000, 0.0004643300000000 ] - [ 0.0048054600000000, 0.0471494000000000, 0.0014771200000000 ] - [ -0.0060812800000000, 0.0467519600000000, -0.0019294600000000 ] - [ 0.0002805700000000, -0.0029238200000000, 0.0006926300000000 ] - [ -0.0030969500000000, -0.0029599100000000, -0.0009485300000000 ] - [ -0.0014291100000000, 0.0055856300000000, -0.0001294300000000 ] - [ -0.0002520200000000, -0.0142661500000000, 0.0008735300000000 ] - [ 0.0003908800000000, 0.0057493100000000, -0.0056174300000000 ] - [ -0.0010635900000000, 0.0058231800000000, 0.0067324100000000 ] - [ 0.0001545900000000, -0.0010299700000000, 0.0000861200000000 ] - [ 0.0008476200000000, 0.0005102200000000, 0.0002881100000000 ] - [ -0.0004907300000000, 0.0005193000000000, -0.0000999300000000 ] - [ 0.0002270900000000, -0.0004838000000000, 0.0001003400000000 ] - [ -0.0005714300000000, -0.0005026800000000, -0.0003596800000000 ] - [ -0.0001656900000000, 0.0009868500000000, -0.0001271500000000 ] - [ 0.0009851700000000, -0.0013390800000000, 0.0000502700000000 ] - [ 0.0028391100000000, 0.0006429500000000, -0.0000104600000000 ] - [ -0.0007657800000000, 0.0006644500000000, 0.0000909700000000 ] - [ 0.0002660900000000, -0.0004803300000000, -0.0001992200000000 ] - [ -0.0015728200000000, -0.0004920700000000, -0.0002485600000000 ] - [ -0.0006468500000000, 0.0009741000000000, -0.0002268700000000 ] - [ -0.0014691000000000, -0.0018329400000000, -0.0001530000000000 ] - [ 0.0009109400000000, 0.0008894100000000, 0.0004982500000000 ] - [ -0.0037423700000000, 0.0009149400000000, -0.0007569300000000 ] - [ 0.0019578600000000, -0.0006194100000000, 0.0006754500000000 ] - [ -0.0027068500000000, -0.0006268600000000, 0.0004690300000000 ] - [ -0.0003676300000000, 0.0012482700000000, 0.0005747200000000 ] - [ 0.0002736500000000, -0.0017087600000000, 0.0002609300000000 ] - [ 0.0027133200000000, 0.0003302800000000, 0.0024435100000000 ] - [ -0.0020451300000000, 0.0003351100000000, -0.0017663000000000 ] - [ 0.0013641900000000, -0.0000702600000000, 0.0014982800000000 ] - [ -0.0013646100000000, -0.0000708500000000, -0.0011850200000000 ] - [ 0.0000042000000000, 0.0001315300000000, 0.0001633200000000 ] - [ 0.0002283100000000, -0.0000683500000000, -0.0005633200000000 ] - [ -0.0001081300000000, -0.0000687000000000, 0.0001158200000000 ] - [ 0.0000596800000000, 0.0001400100000000, -0.0002220800000000 ] - [ 0.0024860900000000, -0.0001444100000000, 0.0021532600000000 ] - [ -0.0027363100000000, -0.0001445200000000, -0.0025315500000000 ] - [ -0.0001186800000000, 0.0002421000000000, -0.0001822100000000 ] - [ 0.0010482000000000, -0.0000575300000000, 0.0007843400000000 ] - [ -0.0004144200000000, -0.0000581400000000, -0.0001333900000000 ] - [ 0.0003177000000000, 0.0001105300000000, 0.0003246500000000 ] - [ -0.0000855200000000, -0.0022707600000000, 0.0001064600000000 ] - [ 0.0022838200000000, 0.0004955000000000, 0.0017310000000000 ] - [ -0.0022454400000000, 0.0004991600000000, -0.0013847000000000 ] - [ 0.0000606100000000, -0.0001336400000000, -0.0002209400000000 ] - [ 0.0002290200000000, 0.0000950300000000, -0.0006620400000000 ] - [ -0.0001058000000000, 0.0000980700000000, 0.0002093200000000 ] - [ -0.0001268300000000, -0.0003340500000000, -0.0001788400000000 ] - [ 0.0008109500000000, 0.0001035700000000, 0.0002574600000000 ] - [ -0.0010299600000000, 0.0001068500000000, -0.0006081400000000 ] - [ -0.0036464800000000, 0.0008154300000000, -0.0084135700000000 ] - [ 0.0031539300000000, 0.0008108800000000, 0.0086598300000000 ] - [ -0.0002497500000000, -0.0012475500000000, 0.0001088600000000 ] - [ -0.0000199300000000, 0.0019111500000000, -0.0005475600000000 ] - [ 0.0001167200000000, -0.0008629500000000, -0.0011307200000000 ] - [ -0.0001232000000000, -0.0008769900000000, -0.0000059500000000 ] - [ -0.0061620500000000, 0.0005183200000000, -0.0054535200000000 ] - [ 0.0063518700000000, 0.0005265400000000, 0.0054928700000000 ] - [ 0.0000750500000000, -0.0014056600000000, -0.0000063100000000 ] - [ -0.0000280600000000, 0.0133592400000000, -0.0003331600000000 ] - [ 0.0022594500000000, -0.0040513200000000, -0.0081308300000000 ] - [ -0.0019022600000000, -0.0040197400000000, 0.0079064100000000 ] - [ -0.0059803900000000, 0.0007627700000000, 0.0037443500000000 ] - [ 0.0062656700000000, 0.0007509400000000, -0.0033311300000000 ] - [ 0.0001188200000000, -0.0012519000000000, 0.0002224300000000 ] - [ -0.0004573400000000, 0.0170088800000000, -0.0001192300000000 ] - [ -0.0058291000000000, -0.0035585500000000, 0.0052747400000000 ] - [ 0.0055144000000000, -0.0035339500000000, -0.0054913300000000 ] - [ -0.0020139200000000, 0.0001976000000000, 0.0003551400000000 ] - [ 0.0007967600000000, 0.0002008600000000, -0.0000695400000000 ] - [ -0.0006059800000000, -0.0003901200000000, 0.0001434300000000 ] - [ 0.0000921800000000, 0.0009084400000000, -0.0000416600000000 ] - [ -0.0015853000000000, -0.0003559500000000, 0.0004796400000000 ] - [ 0.0017322200000000, -0.0003634200000000, -0.0005357400000000 ] - [ 0.0041496500000000, 0.0041349700000000, -0.0036278500000000 ] - [ -0.0023613900000000, 0.0043042600000000, 0.0017684600000000 ] - [ 0.0009425100000000, -0.0076575000000000, -0.0009179600000000 ] - [ 0.0005062200000000, 0.0063816100000000, 0.0006099200000000 ] - [ 0.0022270000000000, -0.0031208100000000, 0.0003232800000000 ] - [ -0.0011336100000000, -0.0031310900000000, 0.0009000300000000 ] - [ 0.0006094300000000, 0.0418006500000000, 0.0025484100000000 ] - [ -0.0011411100000000, 0.0464393700000000, -0.0029705800000000 ] - [ 0.0003388400000000, -0.0192344600000000, 0.0000561400000000 ] - [ -0.0005553300000000, 0.0248657500000000, -0.0001606800000000 ] - [ 0.0043723900000000, -0.0101596500000000, -0.0013369900000000 ] - [ -0.0059209100000000, -0.0101163100000000, 0.0012000300000000 ] - [ 0.0001595900000000, 0.0027667800000000, 0.0032893300000000 ] - [ 0.0030506200000000, 0.0028830200000000, -0.0036567500000000 ] - [ 0.0016356700000000, -0.0057676600000000, -0.0001700900000000 ] - [ -0.0010381600000000, 0.0203178500000000, 0.0007541700000000 ] - [ 0.0001818500000000, -0.0083162600000000, 0.0062036900000000 ] - [ -0.0022813300000000, -0.0082880600000000, -0.0051605200000000 ] - [ -0.0002420100000000, 0.0002302700000000, 0.0001134100000000 ] - [ -0.0006393300000000, -0.0001138500000000, -0.0003648800000000 ] - [ 0.0001288700000000, -0.0001172800000000, 0.0005477700000000 ] - [ -0.0003629300000000, 0.0001061900000000, -0.0009767200000000 ] - [ 0.0003796300000000, 0.0001084100000000, -0.0001053200000000 ] - [ 0.0000065400000000, -0.0002146300000000, -0.0005443600000000 ] - [ 0.0000903200000000, 0.0002960600000000, -0.0000174900000000 ] - [ -0.0007303100000000, -0.0001373200000000, -0.0002371900000000 ] - [ 0.0008666700000000, -0.0001413500000000, 0.0002117600000000 ] - [ -0.0003552700000000, 0.0001067100000000, -0.0003322000000000 ] - [ 0.0007289700000000, 0.0001093400000000, 0.0001539000000000 ] - [ 0.0001861900000000, -0.0002139700000000, -0.0000869900000000 ] - [ 0.0001872000000000, 0.0009852300000000, 0.0002621500000000 ] - [ -0.0023412200000000, -0.0004006700000000, -0.0007153800000000 ] - [ 0.0025476600000000, -0.0004070800000000, 0.0011601700000000 ] - [ -0.0014328900000000, 0.0001357200000000, -0.0006191300000000 ] - [ 0.0011756300000000, 0.0001381000000000, 0.0003861100000000 ] - [ -0.0001325300000000, -0.0002728400000000, -0.0001179400000000 ] - [ -0.0005640000000000, 0.0006283400000000, 0.0001699700000000 ] - [ -0.0031530600000000, -0.0002644700000000, -0.0005833000000000 ] - [ 0.0019090000000000, -0.0002711300000000, 0.0008627100000000 ] - [ -0.0029917300000000, 0.0001571200000000, -0.0009432100000000 ] - [ 0.0031946100000000, 0.0001577200000000, 0.0008946300000000 ] - [ 0.0000929100000000, -0.0002999400000000, -0.0000284100000000 ] - [ 0.0009663000000000, 0.0014872300000000, -0.0009245500000000 ] - [ 0.0008998200000000, -0.0007414500000000, -0.0009142300000000 ] - [ 0.0010228500000000, -0.0007458000000000, -0.0009354800000000 ] - [ 0.0006672400000000, 0.0008357800000000, 0.0007124400000000 ] - [ 0.0004422400000000, 0.0008727400000000, 0.0005170200000000 ] - [ 0.0005491600000000, -0.0017148900000000, 0.0006125700000000 ] - [ 0.0003360300000000, 0.0009477100000000, 0.0000487300000000 ] - [ 0.0000399300000000, -0.0004710300000000, 0.0000066300000000 ] - [ 0.0006132400000000, -0.0004758300000000, 0.0000897600000000 ] - [ -0.0008313400000000, 0.0006323400000000, -0.0001104800000000 ] - [ -0.0007239800000000, 0.0006604200000000, -0.0000047700000000 ] - [ -0.0007820000000000, -0.0012867000000000, -0.0000578400000000 ] - [ 0.0016491600000000, 0.0007877800000000, -0.0001559400000000 ] - [ 0.0011873100000000, -0.0003922200000000, -0.0002615600000000 ] - [ 0.0020826200000000, -0.0003987600000000, -0.0000603700000000 ] - [ -0.0013917000000000, 0.0004160800000000, 0.0003993300000000 ] - [ -0.0006820400000000, 0.0004238100000000, 0.0005974500000000 ] - [ -0.0010386400000000, -0.0008391800000000, 0.0004986800000000 ]- atom: 10 displacement: [ -0.0020604768976038, 0.0000000000000000, 0.0097854195083523 ] forces: - [ 0.0169597200000000, 0.0350043800000000, 0.0095461000000000 ] - [ 0.0169597200000000, -0.0350043800000000, 0.0095461000000000 ] - [ 0.0032567100000000, 0.0000000000000000, 0.0014796700000000 ] - [ -0.0654029000000000, 0.0000000000000000, 0.0566154400000000 ] - [ 0.0011076900000000, 0.0066740700000000, 0.0038286700000000 ] - [ 0.0011076900000000, -0.0066740700000000, 0.0038286700000000 ] - [ -0.0021642600000000, -0.0216187500000000, -0.0158395700000000 ] - [ -0.0021642600000000, 0.0216187500000000, -0.0158395700000000 ] - [ 0.0009565800000000, 0.0000000000000000, -0.0023320900000000 ] - [ 0.0950011200000000, 0.0000000000000000, -0.2795674800000000 ] - [ 0.0013602200000000, -0.0006012700000000, -0.0054013700000000 ] - [ 0.0013602200000000, 0.0006012700000000, -0.0054013700000000 ] - [ -0.0054398900000000, -0.0050594600000000, 0.0106334000000000 ] - [ -0.0054398900000000, 0.0050594600000000, 0.0106334000000000 ] - [ -0.0016696800000000, 0.0000000000000000, 0.0018840800000000 ] - [ -0.0144009100000000, 0.0000000000000000, 0.0786208400000000 ] - [ -0.0017367300000000, -0.0064710500000000, 0.0041866800000000 ] - [ -0.0017367300000000, 0.0064710500000000, 0.0041866800000000 ] - [ -0.0013213700000000, 0.0000000000000000, 0.0023970300000000 ] - [ -0.0004093200000000, -0.0000226000000000, 0.0005288900000000 ] - [ -0.0004093200000000, 0.0000226000000000, 0.0005288900000000 ] - [ -0.0001226300000000, -0.0000198300000000, -0.0007007900000000 ] - [ -0.0001226300000000, 0.0000198300000000, -0.0007007900000000 ] - [ -0.0002230400000000, 0.0000000000000000, -0.0003111300000000 ] - [ -0.0042153400000000, 0.0000000000000000, 0.0001188800000000 ] - [ 0.0004854900000000, -0.0006066800000000, -0.0004103200000000 ] - [ 0.0004854900000000, 0.0006066800000000, -0.0004103200000000 ] - [ -0.0017732700000000, 0.0001646400000000, -0.0002975800000000 ] - [ -0.0017732700000000, -0.0001646400000000, -0.0002975800000000 ] - [ -0.0010259300000000, 0.0000000000000000, -0.0003243800000000 ] - [ 0.0087230700000000, 0.0000000000000000, -0.0048293100000000 ] - [ -0.0007684600000000, 0.0007770200000000, -0.0004051000000000 ] - [ -0.0007684600000000, -0.0007770200000000, -0.0004051000000000 ] - [ -0.0005601000000000, -0.0000748400000000, 0.0004065600000000 ] - [ -0.0005601000000000, 0.0000748400000000, 0.0004065600000000 ] - [ -0.0004658900000000, 0.0000000000000000, 0.0005738300000000 ] - [ 0.0258542700000000, 0.0000000000000000, 0.0243652000000000 ] - [ 0.0006136700000000, 0.0006618200000000, 0.0005640600000000 ] - [ 0.0006136700000000, -0.0006618200000000, 0.0005640600000000 ] - [ -0.0008378900000000, -0.0000028600000000, -0.0007796100000000 ] - [ -0.0008378900000000, 0.0000028600000000, -0.0007796100000000 ] - [ -0.0001213700000000, 0.0000000000000000, 0.0000070700000000 ] - [ 0.0000814100000000, 0.0000058500000000, 0.0004137700000000 ] - [ 0.0000814100000000, -0.0000058500000000, 0.0004137700000000 ] - [ 0.0000429200000000, 0.0000000000000000, -0.0000122300000000 ] - [ 0.0000773500000000, 0.0000548900000000, -0.0001901100000000 ] - [ 0.0000773500000000, -0.0000548900000000, -0.0001901100000000 ] - [ -0.0000463300000000, 0.0000000000000000, -0.0001522400000000 ] - [ -0.0000589700000000, -0.0000425200000000, -0.0000750000000000 ] - [ -0.0000589700000000, 0.0000425200000000, -0.0000750000000000 ] - [ 0.0001799200000000, 0.0000000000000000, 0.0002069100000000 ] - [ -0.0144093500000000, 0.0000000000000000, -0.0156409200000000 ] - [ -0.0003197200000000, -0.0001855000000000, -0.0004047400000000 ] - [ -0.0003197200000000, 0.0001855000000000, -0.0004047400000000 ] - [ -0.0026127000000000, 0.0000000000000000, 0.0081294300000000 ] - [ -0.0002719000000000, 0.0001502500000000, 0.0011182600000000 ] - [ -0.0002719000000000, -0.0001502500000000, 0.0011182600000000 ] - [ -0.0023977000000000, 0.0000000000000000, -0.0008563700000000 ] - [ -0.0006157400000000, -0.0001611500000000, -0.0005123500000000 ] - [ -0.0006157400000000, 0.0001611500000000, -0.0005123500000000 ] - [ -0.0042575000000000, -0.0013488700000000, -0.0127938400000000 ] - [ -0.0042575000000000, 0.0013488700000000, -0.0127938400000000 ] - [ -0.0011474700000000, 0.0000000000000000, -0.0027721400000000 ] - [ -0.0067735700000000, 0.0000000000000000, -0.0412407400000000 ] - [ -0.0012792200000000, 0.0001215200000000, -0.0062810000000000 ] - [ -0.0012792200000000, -0.0001215200000000, -0.0062810000000000 ] - [ -0.0052225100000000, -0.0010012900000000, 0.0099591400000000 ] - [ -0.0052225100000000, 0.0010012900000000, 0.0099591400000000 ] - [ -0.0009416900000000, 0.0000000000000000, 0.0017516600000000 ] - [ 0.0371365700000000, 0.0000000000000000, 0.1150992400000000 ] - [ -0.0001918900000000, -0.0014945800000000, 0.0023229200000000 ] - [ -0.0001918900000000, 0.0014945800000000, 0.0023229200000000 ] - [ 0.0021187100000000, 0.0015953100000000, 0.0003577900000000 ] - [ 0.0021187100000000, -0.0015953100000000, 0.0003577900000000 ] - [ 0.0001774700000000, 0.0000000000000000, 0.0003526300000000 ] - [ -0.0863681500000000, 0.0000000000000000, 0.0416455100000000 ] - [ -0.0010326600000000, 0.0011341700000000, 0.0017104000000000 ] - [ -0.0010326600000000, -0.0011341700000000, 0.0017104000000000 ] - [ 0.0006436700000000, 0.0003414900000000, -0.0002829800000000 ] - [ 0.0006436700000000, -0.0003414900000000, -0.0002829800000000 ] - [ -0.0003521400000000, 0.0000000000000000, 0.0000114000000000 ] - [ 0.0073075000000000, 0.0000000000000000, -0.0081830900000000 ] - [ 0.0013527300000000, 0.0003490400000000, -0.0008811600000000 ] - [ 0.0013527300000000, -0.0003490400000000, -0.0008811600000000 ] - [ 0.0004870900000000, -0.0099681700000000, -0.0057438800000000 ] - [ 0.0004870900000000, 0.0099681700000000, -0.0057438800000000 ] - [ 0.0000983900000000, 0.0000000000000000, -0.0015317200000000 ] - [ 0.0121201000000000, 0.0000000000000000, -0.0023258500000000 ] - [ 0.0012177500000000, -0.0017990100000000, -0.0006188600000000 ] - [ 0.0012177500000000, 0.0017990100000000, -0.0006188600000000 ] - [ -0.0040998100000000, 0.0047886600000000, 0.0168503000000000 ] - [ -0.0040998100000000, -0.0047886600000000, 0.0168503000000000 ] - [ -0.0005169200000000, 0.0000000000000000, 0.0011591900000000 ] - [ 0.0180832700000000, 0.0000000000000000, 0.0101199900000000 ] - [ -0.0028277400000000, -0.0027405800000000, 0.0007904500000000 ] - [ -0.0028277400000000, 0.0027405800000000, 0.0007904500000000 ] - [ 0.0086396300000000, 0.0109749800000000, -0.0007783100000000 ] - [ 0.0086396300000000, -0.0109749800000000, -0.0007783100000000 ] - [ 0.0022916900000000, 0.0000000000000000, 0.0000775500000000 ] - [ -0.0114038000000000, 0.0000000000000000, -0.0071802400000000 ] - [ -0.0006872300000000, 0.0047187100000000, 0.0030178400000000 ] - [ -0.0006872300000000, -0.0047187100000000, 0.0030178400000000 ] - [ -0.0016162200000000, 0.0000000000000000, -0.0021019300000000 ] - [ -0.0003224300000000, -0.0000424600000000, -0.0003079800000000 ] - [ -0.0003224300000000, 0.0000424600000000, -0.0003079800000000 ] - [ 0.0000469700000000, 0.0000136300000000, -0.0005195000000000 ] - [ 0.0000469700000000, -0.0000136300000000, -0.0005195000000000 ] - [ 0.0000381800000000, 0.0000000000000000, -0.0005261700000000 ] - [ 0.0027816800000000, 0.0000000000000000, -0.0004626400000000 ] - [ 0.0007554000000000, 0.0001442700000000, 0.0000888000000000 ] - [ 0.0007554000000000, -0.0001442700000000, 0.0000888000000000 ] - [ 0.0005601300000000, 0.0000154600000000, 0.0003212900000000 ] - [ 0.0005601300000000, -0.0000154600000000, 0.0003212900000000 ] - [ 0.0003355300000000, 0.0000000000000000, 0.0000670400000000 ] - [ 0.0109295400000000, 0.0000000000000000, 0.0105062100000000 ] - [ 0.0003535600000000, 0.0001058300000000, 0.0009079100000000 ] - [ 0.0003535600000000, -0.0001058300000000, 0.0009079100000000 ] - [ 0.0007511300000000, 0.0000403300000000, 0.0002655200000000 ] - [ 0.0007511300000000, -0.0000403300000000, 0.0002655200000000 ] - [ 0.0000817100000000, 0.0000000000000000, -0.0000565800000000 ] - [ -0.0190302000000000, 0.0000000000000000, -0.0157117400000000 ] - [ -0.0008933600000000, -0.0005406700000000, -0.0006414200000000 ] - [ -0.0008933600000000, 0.0005406700000000, -0.0006414200000000 ] - [ 0.0000446600000000, -0.0000267700000000, -0.0002980800000000 ] - [ 0.0000446600000000, 0.0000267700000000, -0.0002980800000000 ] - [ 0.0000976600000000, 0.0000000000000000, -0.0001409500000000 ] - [ 0.0012330200000000, 0.0000000000000000, -0.0009578800000000 ] - [ 0.0011343100000000, -0.0000640700000000, -0.0009419500000000 ] - [ 0.0011343100000000, 0.0000640700000000, -0.0009419500000000 ] - [ -0.0002193000000000, 0.0009899800000000, 0.0010514500000000 ] - [ -0.0002193000000000, -0.0009899800000000, 0.0010514500000000 ] - [ 0.0004009500000000, 0.0000000000000000, 0.0007219900000000 ] - [ 0.0012773700000000, 0.0000000000000000, 0.0000440000000000 ] - [ 0.0006219900000000, 0.0000101400000000, 0.0000634200000000 ] - [ 0.0006219900000000, -0.0000101400000000, 0.0000634200000000 ] - [ -0.0000793100000000, -0.0008437200000000, 0.0002987400000000 ] - [ -0.0000793100000000, 0.0008437200000000, 0.0002987400000000 ] - [ -0.0005434200000000, 0.0000000000000000, 0.0001127200000000 ] - [ 0.0012532000000000, 0.0000000000000000, 0.0012314000000000 ] - [ 0.0016070900000000, -0.0000825200000000, 0.0001302500000000 ] - [ 0.0016070900000000, 0.0000825200000000, 0.0001302500000000 ] - [ -0.0007117400000000, -0.0000623700000000, 0.0004587100000000 ] - [ -0.0007117400000000, 0.0000623700000000, 0.0004587100000000 ] - [ -0.0008859100000000, 0.0000000000000000, 0.0004872400000000 ]- atom: 10 displacement: [ 0.0020604768976038, 0.0000000000000000, -0.0097854195083523 ] forces: - [ -0.0166603700000000, -0.0352563200000000, -0.0092858900000000 ] - [ -0.0166603700000000, 0.0352563200000000, -0.0092858900000000 ] - [ -0.0028979100000000, 0.0000000000000000, -0.0012678800000000 ] - [ 0.0644449300000000, 0.0000000000000000, -0.0563779100000000 ] - [ -0.0014145300000000, -0.0066394700000000, -0.0041015800000000 ] - [ -0.0014145300000000, 0.0066394700000000, -0.0041015800000000 ] - [ 0.0043863000000000, 0.0215880000000000, 0.0158601800000000 ] - [ 0.0043863000000000, -0.0215880000000000, 0.0158601800000000 ] - [ 0.0011413100000000, 0.0000000000000000, 0.0024113100000000 ] - [ -0.1012801200000000, 0.0000000000000000, 0.2716591200000000 ] - [ -0.0026868600000000, 0.0004870200000000, 0.0049448500000000 ] - [ -0.0026868600000000, -0.0004870200000000, 0.0049448500000000 ] - [ 0.0025790100000000, 0.0050234100000000, -0.0108928200000000 ] - [ 0.0025790100000000, -0.0050234100000000, -0.0108928200000000 ] - [ -0.0011711300000000, 0.0000000000000000, -0.0021511200000000 ] - [ 0.0141766300000000, 0.0000000000000000, -0.0778719100000000 ] - [ 0.0010349400000000, 0.0065044300000000, -0.0029880900000000 ] - [ 0.0010349400000000, -0.0065044300000000, -0.0029880900000000 ] - [ 0.0016865200000000, 0.0000000000000000, -0.0022026600000000 ] - [ 0.0007773300000000, 0.0000235200000000, -0.0003338300000000 ] - [ 0.0007773300000000, -0.0000235200000000, -0.0003338300000000 ] - [ -0.0001891800000000, 0.0000211100000000, 0.0004492000000000 ] - [ -0.0001891800000000, -0.0000211100000000, 0.0004492000000000 ] - [ -0.0000919400000000, 0.0000000000000000, 0.0000608200000000 ] - [ 0.0062842100000000, 0.0000000000000000, -0.0000236300000000 ] - [ 0.0015830700000000, 0.0006059800000000, 0.0004893200000000 ] - [ 0.0015830700000000, -0.0006059800000000, 0.0004893200000000 ] - [ 0.0004942200000000, -0.0001652600000000, -0.0001569200000000 ] - [ 0.0004942200000000, 0.0001652600000000, -0.0001569200000000 ] - [ -0.0002506600000000, 0.0000000000000000, -0.0001297700000000 ] - [ -0.0114780900000000, 0.0000000000000000, 0.0045361400000000 ] - [ -0.0020682200000000, -0.0007681000000000, 0.0001439900000000 ] - [ -0.0020682200000000, 0.0007681000000000, 0.0001439900000000 ] - [ -0.0001503800000000, 0.0000733300000000, 0.0007474700000000 ] - [ -0.0001503800000000, -0.0000733300000000, 0.0007474700000000 ] - [ -0.0002410300000000, 0.0000000000000000, 0.0005808600000000 ] - [ -0.0250239200000000, 0.0000000000000000, -0.0234618800000000 ] - [ 0.0000229500000000, -0.0006556800000000, 0.0000844400000000 ] - [ 0.0000229500000000, 0.0006556800000000, 0.0000844400000000 ] - [ 0.0008603900000000, 0.0000032600000000, 0.0011190000000000 ] - [ 0.0008603900000000, -0.0000032600000000, 0.0011190000000000 ] - [ 0.0001461400000000, 0.0000000000000000, 0.0003320800000000 ] - [ 0.0000405300000000, -0.0000062800000000, -0.0008627700000000 ] - [ 0.0000405300000000, 0.0000062800000000, -0.0008627700000000 ] - [ 0.0000798700000000, 0.0000000000000000, -0.0004383500000000 ] - [ -0.0003013700000000, -0.0000562700000000, -0.0001628300000000 ] - [ -0.0003013700000000, 0.0000562700000000, -0.0001628300000000 ] - [ -0.0001733600000000, 0.0000000000000000, -0.0001984300000000 ] - [ 0.0007039800000000, 0.0000422400000000, 0.0007291500000000 ] - [ 0.0007039800000000, -0.0000422400000000, 0.0007291500000000 ] - [ 0.0004669000000000, 0.0000000000000000, 0.0004497600000000 ] - [ 0.0143799700000000, 0.0000000000000000, 0.0158753300000000 ] - [ 0.0003304600000000, 0.0001855200000000, 0.0007308100000000 ] - [ 0.0003304600000000, -0.0001855200000000, 0.0007308100000000 ] - [ 0.0027107100000000, 0.0000000000000000, -0.0085267500000000 ] - [ 0.0003935800000000, -0.0001481200000000, -0.0015633500000000 ] - [ 0.0003935800000000, 0.0001481200000000, -0.0015633500000000 ] - [ 0.0021825700000000, 0.0000000000000000, 0.0005059800000000 ] - [ 0.0003903700000000, 0.0001616200000000, 0.0001590500000000 ] - [ 0.0003903700000000, -0.0001616200000000, 0.0001590500000000 ] - [ 0.0037322100000000, 0.0013527700000000, 0.0129284600000000 ] - [ 0.0037322100000000, -0.0013527700000000, 0.0129284600000000 ] - [ 0.0006388100000000, 0.0000000000000000, 0.0029641800000000 ] - [ 0.0068114300000000, 0.0000000000000000, 0.0402006500000000 ] - [ 0.0012856100000000, -0.0001302500000000, 0.0051769100000000 ] - [ 0.0012856100000000, 0.0001302500000000, 0.0051769100000000 ] - [ 0.0053626000000000, 0.0010242200000000, -0.0100336300000000 ] - [ 0.0053626000000000, -0.0010242200000000, -0.0100336300000000 ] - [ 0.0010817700000000, 0.0000000000000000, -0.0017955000000000 ] - [ -0.0355604400000000, 0.0000000000000000, -0.1067473300000000 ] - [ 0.0005462500000000, 0.0014825800000000, -0.0024482500000000 ] - [ 0.0005462500000000, -0.0014825800000000, -0.0024482500000000 ] - [ -0.0019260200000000, -0.0015884500000000, 0.0001217000000000 ] - [ -0.0019260200000000, 0.0015884500000000, 0.0001217000000000 ] - [ 0.0000292900000000, 0.0000000000000000, 0.0001033400000000 ] - [ 0.0897708400000000, 0.0000000000000000, -0.0425443800000000 ] - [ 0.0007883000000000, -0.0011326000000000, -0.0019924800000000 ] - [ 0.0007883000000000, 0.0011326000000000, -0.0019924800000000 ] - [ -0.0018650900000000, -0.0003399200000000, 0.0005725800000000 ] - [ -0.0018650900000000, 0.0003399200000000, 0.0005725800000000 ] - [ -0.0008763400000000, 0.0000000000000000, 0.0002768300000000 ] - [ -0.0071186100000000, 0.0000000000000000, 0.0081095600000000 ] - [ -0.0011839100000000, -0.0003521200000000, 0.0008155700000000 ] - [ -0.0011839100000000, 0.0003521200000000, 0.0008155700000000 ] - [ 0.0013905500000000, 0.0100029900000000, 0.0038997500000000 ] - [ 0.0013905500000000, -0.0100029900000000, 0.0038997500000000 ] - [ 0.0018109500000000, 0.0000000000000000, -0.0003256400000000 ] - [ -0.0109643400000000, 0.0000000000000000, 0.0035483700000000 ] - [ -0.0001217900000000, 0.0017840500000000, 0.0018461600000000 ] - [ -0.0001217900000000, -0.0017840500000000, 0.0018461600000000 ] - [ 0.0048885500000000, -0.0045902500000000, -0.0165147000000000 ] - [ 0.0048885500000000, 0.0045902500000000, -0.0165147000000000 ] - [ 0.0011338500000000, 0.0000000000000000, -0.0010766900000000 ] - [ -0.0195744300000000, 0.0000000000000000, -0.0099021400000000 ] - [ 0.0012280500000000, 0.0027591500000000, -0.0008958300000000 ] - [ 0.0012280500000000, -0.0027591500000000, -0.0008958300000000 ] - [ -0.0053213900000000, -0.0109514200000000, 0.0004669500000000 ] - [ -0.0053213900000000, 0.0109514200000000, 0.0004669500000000 ] - [ 0.0009765300000000, 0.0000000000000000, -0.0003903100000000 ] - [ 0.0090178300000000, 0.0000000000000000, 0.0067581300000000 ] - [ -0.0014052800000000, -0.0047474400000000, -0.0020461700000000 ] - [ -0.0014052800000000, 0.0047474400000000, -0.0020461700000000 ] - [ 0.0011022800000000, 0.0000000000000000, 0.0022881300000000 ] - [ -0.0001905400000000, 0.0000419800000000, 0.0004811700000000 ] - [ -0.0001905400000000, -0.0000419800000000, 0.0004811700000000 ] - [ -0.0000424400000000, -0.0000136000000000, -0.0005834900000000 ] - [ -0.0000424400000000, 0.0000136000000000, -0.0005834900000000 ] - [ -0.0000313800000000, 0.0000000000000000, -0.0005707800000000 ] - [ -0.0026432900000000, 0.0000000000000000, 0.0004230200000000 ] - [ -0.0006176100000000, -0.0001443200000000, -0.0001109200000000 ] - [ -0.0006176100000000, 0.0001443200000000, -0.0001109200000000 ] - [ -0.0002024600000000, -0.0000156300000000, -0.0004959400000000 ] - [ -0.0002024600000000, 0.0000156300000000, -0.0004959400000000 ] - [ 0.0000261400000000, 0.0000000000000000, -0.0002451800000000 ] - [ -0.0106698400000000, 0.0000000000000000, -0.0099830000000000 ] - [ -0.0001255700000000, -0.0001065100000000, -0.0004500300000000 ] - [ -0.0001255700000000, 0.0001065100000000, -0.0004500300000000 ] - [ -0.0010356900000000, -0.0000411100000000, -0.0005066600000000 ] - [ -0.0010356900000000, 0.0000411100000000, -0.0005066600000000 ] - [ -0.0003668100000000, 0.0000000000000000, -0.0001842800000000 ] - [ 0.0176835700000000, 0.0000000000000000, 0.0158961500000000 ] - [ -0.0003278600000000, 0.0005351000000000, 0.0009295900000000 ] - [ -0.0003278600000000, -0.0005351000000000, 0.0009295900000000 ] - [ 0.0001208800000000, 0.0000274100000000, 0.0002383500000000 ] - [ 0.0001208800000000, -0.0000274100000000, 0.0002383500000000 ] - [ 0.0000616900000000, 0.0000000000000000, 0.0000814700000000 ] - [ 0.0006785800000000, 0.0000000000000000, -0.0008921500000000 ] - [ 0.0007798200000000, 0.0000640800000000, -0.0009085800000000 ] - [ 0.0007798200000000, -0.0000640800000000, -0.0009085800000000 ] - [ 0.0013063200000000, -0.0009833800000000, 0.0001765700000000 ] - [ 0.0013063200000000, 0.0009833800000000, 0.0001765700000000 ] - [ 0.0006920400000000, 0.0000000000000000, 0.0005042800000000 ] - [ -0.0006303900000000, 0.0000000000000000, 0.0000508000000000 ] - [ 0.0000278400000000, -0.0000109000000000, 0.0000327300000000 ] - [ 0.0000278400000000, 0.0000109000000000, 0.0000327300000000 ] - [ -0.0014891200000000, 0.0008404300000000, -0.0004150500000000 ] - [ -0.0014891200000000, -0.0008404300000000, -0.0004150500000000 ] - [ -0.0010251000000000, 0.0000000000000000, -0.0002298200000000 ] - [ 0.0020185600000000, 0.0000000000000000, -0.0015446000000000 ] - [ 0.0016611400000000, 0.0000787200000000, -0.0004511200000000 ] - [ 0.0016611400000000, -0.0000787200000000, -0.0004511200000000 ] - [ -0.0013728200000000, 0.0000673400000000, 0.0005356700000000 ] - [ -0.0013728200000000, -0.0000673400000000, 0.0005356700000000 ] - [ -0.0011983600000000, 0.0000000000000000, 0.0005083800000000 ]- atom: 13 displacement: [ 0.0099999983408567, 0.0000000000000000, 0.0000057604567923 ] forces: - [ -0.0015956900000000, 0.0000000000000000, 0.0088170800000000 ] - [ -0.0020791200000000, 0.0013775600000000, 0.0002547200000000 ] - [ -0.0020791200000000, -0.0013775600000000, 0.0002547200000000 ] - [ 0.0140911000000000, 0.0385586300000000, -0.0007373300000000 ] - [ 0.0010981300000000, 0.0000000000000000, 0.0004365300000000 ] - [ 0.0140911000000000, -0.0385586300000000, -0.0007373300000000 ] - [ -0.0213001300000000, 0.0000000000000000, -0.0265194800000000 ] - [ -0.0024862200000000, 0.0016932600000000, -0.0018746300000000 ] - [ -0.0024862200000000, -0.0016932600000000, -0.0018746300000000 ] - [ 0.0007475000000000, 0.0016854400000000, -0.0040503200000000 ] - [ 0.0007264300000000, 0.0000000000000000, -0.0001981400000000 ] - [ 0.0007475000000000, -0.0016854400000000, -0.0040503200000000 ] - [ -0.2444785100000000, 0.0000000000000000, 0.0036169000000000 ] - [ -0.0091127200000000, 0.0039410500000000, 0.0000315100000000 ] - [ -0.0091127200000000, -0.0039410500000000, 0.0000315100000000 ] - [ 0.0050548800000000, 0.0022057900000000, 0.0068371500000000 ] - [ 0.0032338200000000, 0.0000000000000000, 0.0012123900000000 ] - [ 0.0050548800000000, -0.0022057900000000, 0.0068371500000000 ] - [ 0.0045357100000000, -0.0022805100000000, 0.0013731500000000 ] - [ 0.0024510100000000, 0.0000000000000000, 0.0008480500000000 ] - [ 0.0045357100000000, 0.0022805100000000, 0.0013731500000000 ] - [ 0.0139201400000000, 0.0000000000000000, -0.0000188000000000 ] - [ 0.0013687700000000, -0.0019743800000000, 0.0002081300000000 ] - [ 0.0013687700000000, 0.0019743800000000, 0.0002081300000000 ] - [ 0.0053627300000000, -0.0021412100000000, 0.0008470900000000 ] - [ 0.0036960600000000, 0.0000000000000000, 0.0005593100000000 ] - [ 0.0053627300000000, 0.0021412100000000, 0.0008470900000000 ] - [ 0.0036729000000000, 0.0000000000000000, 0.0109286900000000 ] - [ -0.0010971400000000, -0.0023158600000000, 0.0003378500000000 ] - [ -0.0010971400000000, 0.0023158600000000, 0.0003378500000000 ] - [ 0.0049210400000000, -0.0016050900000000, 0.0005780500000000 ] - [ 0.0025979800000000, 0.0000000000000000, 0.0003433300000000 ] - [ 0.0049210400000000, 0.0016050900000000, 0.0005780500000000 ] - [ 0.0132555600000000, 0.0000000000000000, -0.0046316800000000 ] - [ -0.0022203800000000, -0.0032410300000000, 0.0000694900000000 ] - [ -0.0022203800000000, 0.0032410300000000, 0.0000694900000000 ] - [ 0.0035544400000000, 0.0001295200000000, 0.0028152600000000 ] - [ 0.0021518200000000, 0.0000000000000000, 0.0017612400000000 ] - [ 0.0035544400000000, -0.0001295200000000, 0.0028152600000000 ] - [ -0.0030654100000000, 0.0000000000000000, 0.0029051900000000 ] - [ -0.0023598400000000, -0.0005287400000000, -0.0012417300000000 ] - [ -0.0023598400000000, 0.0005287400000000, -0.0012417300000000 ] - [ 0.0173036000000000, 0.0000000000000000, -0.0439314800000000 ] - [ -0.0004619200000000, -0.0010103100000000, 0.0008588600000000 ] - [ -0.0004619200000000, 0.0010103100000000, 0.0008588600000000 ] - [ -0.0069895000000000, 0.0000000000000000, -0.0052763700000000 ] - [ -0.0026765400000000, -0.0002919400000000, -0.0020718600000000 ] - [ -0.0026765400000000, 0.0002919400000000, -0.0020718600000000 ] - [ 0.0361284200000000, 0.0000000000000000, 0.0241775600000000 ] - [ -0.0008947100000000, -0.0011021000000000, -0.0007791200000000 ] - [ -0.0008947100000000, 0.0011021000000000, -0.0007791200000000 ] - [ 0.0026130700000000, 0.0000262800000000, 0.0019350100000000 ] - [ 0.0018786200000000, 0.0000000000000000, 0.0014840200000000 ] - [ 0.0026130700000000, -0.0000262800000000, 0.0019350100000000 ] - [ 0.0010939700000000, 0.0000675900000000, -0.0021681000000000 ] - [ 0.0007413800000000, 0.0000000000000000, -0.0016881700000000 ] - [ 0.0010939700000000, -0.0000675900000000, -0.0021681000000000 ] - [ 0.0027229000000000, 0.0000036400000000, 0.0017678700000000 ] - [ 0.0018396600000000, 0.0000000000000000, 0.0012041300000000 ] - [ 0.0027229000000000, -0.0000036400000000, 0.0017678700000000 ] - [ 0.0182555400000000, 0.0000000000000000, 0.0277832100000000 ] - [ 0.0009146900000000, -0.0006818400000000, -0.0005829100000000 ] - [ 0.0009146900000000, 0.0006818400000000, -0.0005829100000000 ] - [ -0.0036466500000000, -0.0025831600000000, -0.0087366500000000 ] - [ -0.0006205500000000, 0.0000000000000000, -0.0014972500000000 ] - [ -0.0036466500000000, 0.0025831600000000, -0.0087366500000000 ] - [ 0.0067387600000000, 0.0000000000000000, 0.0055306900000000 ] - [ 0.0025646100000000, -0.0000787700000000, 0.0016450500000000 ] - [ 0.0025646100000000, 0.0000787700000000, 0.0016450500000000 ] - [ -0.0047893200000000, -0.0021385900000000, 0.0030804900000000 ] - [ -0.0013389200000000, 0.0000000000000000, -0.0005076700000000 ] - [ -0.0047893200000000, 0.0021385900000000, 0.0030804900000000 ] - [ 0.0295894400000000, 0.0000000000000000, -0.0048334700000000 ] - [ 0.0040252200000000, -0.0000232400000000, 0.0019104400000000 ] - [ 0.0040252200000000, 0.0000232400000000, 0.0019104400000000 ] - [ -0.0027157500000000, -0.0002066200000000, -0.0014111100000000 ] - [ -0.0019499000000000, 0.0000000000000000, -0.0009562800000000 ] - [ -0.0027157500000000, 0.0002066200000000, -0.0014111100000000 ] - [ 0.0898368300000000, 0.0000000000000000, -0.0069588300000000 ] - [ 0.0048389600000000, 0.0018521300000000, -0.0005158500000000 ] - [ 0.0048389600000000, -0.0018521300000000, -0.0005158500000000 ] - [ -0.0049920500000000, -0.0001167500000000, 0.0000417800000000 ] - [ -0.0033540400000000, 0.0000000000000000, 0.0002070100000000 ] - [ -0.0049920500000000, 0.0001167500000000, 0.0000417800000000 ] - [ -0.0000940500000000, 0.0000000000000000, -0.0021755000000000 ] - [ 0.0010994900000000, -0.0020017800000000, -0.0016213900000000 ] - [ 0.0010994900000000, 0.0020017800000000, -0.0016213900000000 ] - [ 0.0258662700000000, 0.0210261900000000, -0.0010511100000000 ] - [ 0.0014174300000000, 0.0000000000000000, 0.0006998500000000 ] - [ 0.0258662700000000, -0.0210261900000000, -0.0010511100000000 ] - [ 0.0022702800000000, 0.0000000000000000, 0.0013886000000000 ] - [ 0.0009979000000000, -0.0013819300000000, 0.0003722000000000 ] - [ 0.0009979000000000, 0.0013819300000000, 0.0003722000000000 ] - [ 0.0014290000000000, -0.0026212600000000, 0.0038668600000000 ] - [ -0.0006761900000000, 0.0000000000000000, 0.0003980700000000 ] - [ 0.0014290000000000, 0.0026212600000000, 0.0038668600000000 ] - [ 0.0177971100000000, 0.0000000000000000, 0.0036963800000000 ] - [ 0.0049239700000000, -0.0037318800000000, 0.0005395700000000 ] - [ 0.0049239700000000, 0.0037318800000000, 0.0005395700000000 ] - [ -0.0009071900000000, -0.0019138400000000, 0.0002248100000000 ] - [ -0.0013040800000000, 0.0000000000000000, 0.0003526900000000 ] - [ -0.0009071900000000, 0.0019138400000000, 0.0002248100000000 ] - [ -0.0019325600000000, 0.0003332100000000, -0.0021680200000000 ] - [ -0.0012480800000000, 0.0000000000000000, -0.0011844000000000 ] - [ -0.0019325600000000, -0.0003332100000000, -0.0021680200000000 ] - [ -0.0037255900000000, 0.0000000000000000, -0.0012713200000000 ] - [ -0.0001808400000000, 0.0006662500000000, -0.0007418200000000 ] - [ -0.0001808400000000, -0.0006662500000000, -0.0007418200000000 ] - [ -0.0028307800000000, 0.0002983700000000, -0.0012679200000000 ] - [ -0.0018178600000000, 0.0000000000000000, -0.0008935200000000 ] - [ -0.0028307800000000, -0.0002983700000000, -0.0012679200000000 ] - [ -0.0203335900000000, 0.0000000000000000, -0.0155684100000000 ] - [ 0.0003909600000000, 0.0009617900000000, 0.0001684300000000 ] - [ 0.0003909600000000, -0.0009617900000000, 0.0001684300000000 ] - [ -0.0035351800000000, 0.0001959900000000, -0.0006407600000000 ] - [ -0.0024268400000000, 0.0000000000000000, -0.0004732000000000 ] - [ -0.0035351800000000, -0.0001959900000000, -0.0006407600000000 ] - [ 0.0005533000000000, 0.0000000000000000, 0.0007434600000000 ] - [ 0.0015106300000000, 0.0005973500000000, 0.0007324500000000 ] - [ 0.0015106300000000, -0.0005973500000000, 0.0007324500000000 ] - [ -0.0058263700000000, -0.0000227800000000, 0.0002359900000000 ] - [ -0.0039324200000000, 0.0000000000000000, 0.0004181400000000 ] - [ -0.0058263700000000, 0.0000227800000000, 0.0002359900000000 ] - [ -0.0112658200000000, 0.0000000000000000, 0.0244938600000000 ] - [ 0.0029878800000000, 0.0008912300000000, 0.0004217000000000 ] - [ 0.0029878800000000, -0.0008912300000000, 0.0004217000000000 ] - [ -0.0010368200000000, 0.0046942700000000, -0.0005354500000000 ] - [ 0.0003138200000000, 0.0000000000000000, -0.0008125200000000 ] - [ -0.0010368200000000, -0.0046942700000000, -0.0005354500000000 ] - [ -0.0035182600000000, 0.0000000000000000, 0.0007599000000000 ] - [ -0.0007912200000000, 0.0007849800000000, 0.0006275400000000 ] - [ -0.0007912200000000, -0.0007849800000000, 0.0006275400000000 ] - [ -0.0014912500000000, 0.0032696300000000, -0.0007142100000000 ] - [ -0.0005180000000000, 0.0000000000000000, -0.0001593000000000 ] - [ -0.0014912500000000, -0.0032696300000000, -0.0007142100000000 ] - [ -0.0046329200000000, 0.0000000000000000, -0.0017009700000000 ] - [ -0.0014304200000000, 0.0010361300000000, -0.0002197300000000 ] - [ -0.0014304200000000, -0.0010361300000000, -0.0002197300000000 ] - [ -0.0008170800000000, 0.0025973100000000, -0.0005071900000000 ] - [ 0.0004527500000000, 0.0000000000000000, -0.0003555700000000 ] - [ -0.0008170800000000, -0.0025973100000000, -0.0005071900000000 ] - [ -0.0037790000000000, 0.0000000000000000, -0.0003524600000000 ] - [ -0.0012813500000000, 0.0012195900000000, 0.0004550100000000 ] - [ -0.0012813500000000, -0.0012195900000000, 0.0004550100000000 ]- atom: 13 displacement: [ -0.0099999983408567, 0.0000000000000000, -0.0000057604567923 ] forces: - [ 0.0017578300000000, 0.0000000000000000, -0.0091467700000000 ] - [ 0.0024322800000000, -0.0014091200000000, -0.0001082500000000 ] - [ 0.0024322800000000, 0.0014091200000000, -0.0001082500000000 ] - [ -0.0142890200000000, -0.0381525000000000, 0.0004181900000000 ] - [ -0.0014657800000000, 0.0000000000000000, -0.0006665400000000 ] - [ -0.0142890200000000, 0.0381525000000000, 0.0004181900000000 ] - [ 0.0233738600000000, 0.0000000000000000, 0.0263585500000000 ] - [ 0.0045503300000000, -0.0016855300000000, 0.0019520900000000 ] - [ 0.0045503300000000, 0.0016855300000000, 0.0019520900000000 ] - [ -0.0020256200000000, -0.0016915400000000, 0.0035480900000000 ] - [ -0.0020219300000000, 0.0000000000000000, -0.0002693000000000 ] - [ -0.0020256200000000, 0.0016915400000000, 0.0035480900000000 ] - [ 0.2475630700000000, 0.0000000000000000, -0.0043918700000000 ] - [ 0.0062595700000000, -0.0040202800000000, -0.0002945000000000 ] - [ 0.0062595700000000, 0.0040202800000000, -0.0002945000000000 ] - [ -0.0058203600000000, -0.0022505600000000, -0.0056411700000000 ] - [ -0.0039752800000000, 0.0000000000000000, -0.0000577100000000 ] - [ -0.0058203600000000, 0.0022505600000000, -0.0056411700000000 ] - [ -0.0041957900000000, 0.0023015200000000, -0.0011944700000000 ] - [ -0.0020964700000000, 0.0000000000000000, -0.0006608900000000 ] - [ -0.0041957900000000, -0.0023015200000000, -0.0011944700000000 ] - [ -0.0143801600000000, 0.0000000000000000, -0.0002050300000000 ] - [ -0.0016895000000000, 0.0019921800000000, -0.0004572900000000 ] - [ -0.0016895000000000, -0.0019921800000000, -0.0004572900000000 ] - [ -0.0033217100000000, 0.0021648900000000, -0.0007717800000000 ] - [ -0.0016410700000000, 0.0000000000000000, -0.0004845200000000 ] - [ -0.0033217100000000, -0.0021648900000000, -0.0007717800000000 ] - [ -0.0050041900000000, 0.0000000000000000, -0.0115371400000000 ] - [ -0.0001692700000000, 0.0023379500000000, -0.0007944300000000 ] - [ -0.0001692700000000, -0.0023379500000000, -0.0007944300000000 ] - [ -0.0077996100000000, 0.0016217100000000, -0.0008388200000000 ] - [ -0.0054646600000000, 0.0000000000000000, -0.0006042900000000 ] - [ -0.0077996100000000, -0.0016217100000000, -0.0008388200000000 ] - [ -0.0140776300000000, 0.0000000000000000, 0.0058215300000000 ] - [ 0.0015374500000000, 0.0032657400000000, 0.0010873000000000 ] - [ 0.0015374500000000, -0.0032657400000000, 0.0010873000000000 ] - [ -0.0029255500000000, -0.0001287500000000, -0.0021733300000000 ] - [ -0.0015211800000000, 0.0000000000000000, -0.0011165900000000 ] - [ -0.0029255500000000, 0.0001287500000000, -0.0021733300000000 ] - [ 0.0030440600000000, 0.0000000000000000, -0.0025546200000000 ] - [ 0.0024032100000000, 0.0005317900000000, 0.0015890800000000 ] - [ 0.0024032100000000, -0.0005317900000000, 0.0015890800000000 ] - [ -0.0175552300000000, 0.0000000000000000, 0.0441496700000000 ] - [ 0.0005911000000000, 0.0010148600000000, -0.0013223600000000 ] - [ 0.0005911000000000, -0.0010148600000000, -0.0013223600000000 ] - [ 0.0068730100000000, 0.0000000000000000, 0.0049705300000000 ] - [ 0.0024746000000000, 0.0002926300000000, 0.0017321400000000 ] - [ 0.0024746000000000, -0.0002926300000000, 0.0017321400000000 ] - [ -0.0361970300000000, 0.0000000000000000, -0.0238492000000000 ] - [ 0.0015560400000000, 0.0011101100000000, 0.0014506100000000 ] - [ 0.0015560400000000, -0.0011101100000000, 0.0014506100000000 ] - [ -0.0026128900000000, -0.0000263900000000, -0.0016148600000000 ] - [ -0.0018740800000000, 0.0000000000000000, -0.0011605900000000 ] - [ -0.0026128900000000, 0.0000263900000000, -0.0016148600000000 ] - [ -0.0009775900000000, -0.0000673800000000, 0.0017367400000000 ] - [ -0.0006243200000000, 0.0000000000000000, 0.0012521000000000 ] - [ -0.0009775900000000, 0.0000673800000000, 0.0017367400000000 ] - [ -0.0029630800000000, -0.0000038800000000, -0.0021345800000000 ] - [ -0.0020765400000000, 0.0000000000000000, -0.0015675800000000 ] - [ -0.0029630800000000, 0.0000038800000000, -0.0021345800000000 ] - [ -0.0189602600000000, 0.0000000000000000, -0.0276297700000000 ] - [ -0.0014098800000000, 0.0006926100000000, 0.0008324600000000 ] - [ -0.0014098800000000, -0.0006926100000000, 0.0008324600000000 ] - [ 0.0036553100000000, 0.0025576400000000, 0.0076068700000000 ] - [ 0.0006332400000000, 0.0000000000000000, 0.0003890300000000 ] - [ 0.0036553100000000, -0.0025576400000000, 0.0076068700000000 ] - [ -0.0067258900000000, 0.0000000000000000, -0.0054291500000000 ] - [ -0.0024465100000000, 0.0000793600000000, -0.0016606300000000 ] - [ -0.0024465100000000, -0.0000793600000000, -0.0016606300000000 ] - [ 0.0051693000000000, 0.0021223900000000, -0.0032427700000000 ] - [ 0.0017100600000000, 0.0000000000000000, 0.0003383600000000 ] - [ 0.0051693000000000, -0.0021223900000000, -0.0032427700000000 ] - [ -0.0291755900000000, 0.0000000000000000, 0.0055946500000000 ] - [ -0.0038241300000000, 0.0000298300000000, -0.0014959800000000 ] - [ -0.0038241300000000, -0.0000298300000000, -0.0014959800000000 ] - [ 0.0024510100000000, 0.0002121300000000, 0.0011867300000000 ] - [ 0.0016845600000000, 0.0000000000000000, 0.0007248000000000 ] - [ 0.0024510100000000, -0.0002121300000000, 0.0011867300000000 ] - [ -0.0977531600000000, 0.0000000000000000, 0.0085740700000000 ] - [ -0.0061204400000000, -0.0018810600000000, 0.0008089100000000 ] - [ -0.0061204400000000, 0.0018810600000000, 0.0008089100000000 ] - [ 0.0051937400000000, 0.0001191600000000, -0.0001060200000000 ] - [ 0.0035487500000000, 0.0000000000000000, -0.0002694300000000 ] - [ 0.0051937400000000, -0.0001191600000000, -0.0001060200000000 ] - [ 0.0021123900000000, 0.0000000000000000, 0.0003165200000000 ] - [ 0.0008315100000000, 0.0020051600000000, -0.0002337000000000 ] - [ 0.0008315100000000, -0.0020051600000000, -0.0002337000000000 ] - [ -0.0252402200000000, -0.0208944200000000, 0.0022847300000000 ] - [ -0.0002499900000000, 0.0000000000000000, 0.0005024900000000 ] - [ -0.0252402200000000, 0.0208944200000000, 0.0022847300000000 ] - [ -0.0016135100000000, 0.0000000000000000, -0.0012648800000000 ] - [ -0.0003484200000000, 0.0013852300000000, -0.0002609400000000 ] - [ -0.0003484200000000, -0.0013852300000000, -0.0002609400000000 ] - [ -0.0029946400000000, 0.0025893000000000, -0.0039463400000000 ] - [ -0.0008880300000000, 0.0000000000000000, -0.0005127200000000 ] - [ -0.0029946400000000, -0.0025893000000000, -0.0039463400000000 ] - [ -0.0120510600000000, 0.0000000000000000, -0.0047846700000000 ] - [ -0.0016346200000000, 0.0036670500000000, -0.0008491200000000 ] - [ -0.0016346200000000, -0.0036670500000000, -0.0008491200000000 ] - [ -0.0011491600000000, 0.0019821500000000, 0.0007994100000000 ] - [ -0.0007684700000000, 0.0000000000000000, 0.0006545300000000 ] - [ -0.0011491600000000, -0.0019821500000000, 0.0007994100000000 ] - [ 0.0014326000000000, -0.0003359800000000, 0.0023604900000000 ] - [ 0.0007411400000000, 0.0000000000000000, 0.0013659300000000 ] - [ 0.0014326000000000, 0.0003359800000000, 0.0023604900000000 ] - [ 0.0037607400000000, 0.0000000000000000, 0.0001564300000000 ] - [ 0.0001853400000000, -0.0006715200000000, -0.0003578400000000 ] - [ 0.0001853400000000, 0.0006715200000000, -0.0003578400000000 ] - [ 0.0029876800000000, -0.0003013800000000, 0.0012550500000000 ] - [ 0.0019660100000000, 0.0000000000000000, 0.0008847500000000 ] - [ 0.0029876800000000, 0.0003013800000000, 0.0012550500000000 ] - [ 0.0209835600000000, 0.0000000000000000, 0.0156120400000000 ] - [ -0.0000381800000000, -0.0009700000000000, -0.0003531600000000 ] - [ -0.0000381800000000, 0.0009700000000000, -0.0003531600000000 ] - [ 0.0037812000000000, -0.0001979300000000, 0.0010999800000000 ] - [ 0.0026679700000000, 0.0000000000000000, 0.0009298300000000 ] - [ 0.0037812000000000, 0.0001979300000000, 0.0010999800000000 ] - [ -0.0008365300000000, 0.0000000000000000, -0.0009697800000000 ] - [ -0.0018138700000000, -0.0006018000000000, -0.0009776000000000 ] - [ -0.0018138700000000, 0.0006018000000000, -0.0009776000000000 ] - [ 0.0046318400000000, 0.0000216700000000, 0.0000471100000000 ] - [ 0.0027310800000000, 0.0000000000000000, -0.0001346100000000 ] - [ 0.0046318400000000, -0.0000216700000000, 0.0000471100000000 ] - [ 0.0115178200000000, 0.0000000000000000, -0.0248483700000000 ] - [ -0.0028557800000000, -0.0008964500000000, -0.0004781300000000 ] - [ -0.0028557800000000, 0.0008964500000000, -0.0004781300000000 ] - [ 0.0029609100000000, -0.0047287000000000, -0.0013163600000000 ] - [ 0.0016027300000000, 0.0000000000000000, -0.0010377500000000 ] - [ 0.0029609100000000, 0.0047287000000000, -0.0013163600000000 ] - [ 0.0046443500000000, 0.0000000000000000, 0.0004645600000000 ] - [ 0.0018942900000000, -0.0007938800000000, 0.0005969700000000 ] - [ 0.0018942900000000, 0.0007938800000000, 0.0005969700000000 ] - [ 0.0021525100000000, -0.0033006900000000, 0.0008180400000000 ] - [ 0.0011726800000000, 0.0000000000000000, 0.0002592500000000 ] - [ 0.0021525100000000, 0.0033006900000000, 0.0008180400000000 ] - [ 0.0031037300000000, 0.0000000000000000, 0.0016005100000000 ] - [ -0.0001365400000000, -0.0010451300000000, 0.0001029300000000 ] - [ -0.0001365400000000, 0.0010451300000000, 0.0001029300000000 ] - [ 0.0041054900000000, -0.0026237100000000, 0.0001866800000000 ] - [ 0.0028247600000000, 0.0000000000000000, 0.0000341700000000 ] - [ 0.0041054900000000, 0.0026237100000000, 0.0001866800000000 ] - [ 0.0017176500000000, 0.0000000000000000, 0.0013618700000000 ] - [ -0.0008034300000000, -0.0012334200000000, 0.0005426200000000 ] - [ -0.0008034300000000, 0.0012334200000000, 0.0005426200000000 ]- atom: 13 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0000671200000000, -0.0094620300000000, -0.0001511600000000 ] - [ 0.0071576500000000, 0.0039460900000000, 0.0127612700000000 ] - [ -0.0067571400000000, 0.0039824700000000, -0.0125082400000000 ] - [ 0.0510034900000000, -0.0057867600000000, -0.0117775000000000 ] - [ -0.0001314600000000, 0.0148769000000000, -0.0001197300000000 ] - [ -0.0507277100000000, -0.0058573700000000, 0.0114164900000000 ] - [ 0.0009734700000000, -0.0147063000000000, 0.0000072300000000 ] - [ 0.0070285000000000, 0.0063444300000000, -0.0051090400000000 ] - [ -0.0049212100000000, 0.0063326900000000, 0.0051079900000000 ] - [ 0.0002300300000000, -0.0029532700000000, -0.0052379900000000 ] - [ -0.0006301400000000, 0.0055856700000000, -0.0002379800000000 ] - [ -0.0014894700000000, -0.0029293600000000, 0.0046994200000000 ] - [ -0.0030272400000000, -0.1910790200000000, 0.0003340700000000 ] - [ -0.0054330000000000, 0.0793101700000000, 0.0053933300000000 ] - [ 0.0025310100000000, 0.0787171300000000, -0.0056606200000000 ] - [ 0.0026281000000000, -0.0036394300000000, 0.0082636000000000 ] - [ -0.0003434100000000, 0.0070910100000000, 0.0005865500000000 ] - [ -0.0033440900000000, -0.0035857600000000, -0.0070640200000000 ] - [ 0.0003836500000000, -0.0007434300000000, 0.0001304400000000 ] - [ 0.0001874400000000, 0.0014695100000000, 0.0000963000000000 ] - [ 0.0000009800000000, -0.0007255000000000, 0.0000599800000000 ] - [ -0.0001161600000000, -0.0013746100000000, -0.0001186800000000 ] - [ -0.0022874600000000, 0.0006748000000000, -0.0002840300000000 ] - [ 0.0019661100000000, 0.0006907800000000, 0.0000389500000000 ] - [ 0.0015412400000000, -0.0006954400000000, 0.0002648300000000 ] - [ 0.0010407700000000, 0.0013771900000000, 0.0000405800000000 ] - [ 0.0005464800000000, -0.0006784400000000, -0.0001812600000000 ] - [ -0.0006317600000000, -0.0018322100000000, -0.0001938100000000 ] - [ -0.0025377900000000, 0.0008944100000000, -0.0014157000000000 ] - [ 0.0012446800000000, 0.0009108000000000, 0.0009590800000000 ] - [ 0.0002065400000000, -0.0007677900000000, -0.0001888200000000 ] - [ -0.0014101100000000, 0.0015241600000000, -0.0001286600000000 ] - [ -0.0030187500000000, -0.0007534300000000, -0.0000640900000000 ] - [ -0.0002942100000000, -0.0020882300000000, 0.0005506100000000 ] - [ -0.0040841300000000, 0.0010207000000000, 0.0006999600000000 ] - [ 0.0033505200000000, 0.0010483300000000, 0.0004453100000000 ] - [ 0.0021158600000000, -0.0001203300000000, 0.0017106800000000 ] - [ 0.0003293400000000, 0.0002392700000000, 0.0003332100000000 ] - [ -0.0014517300000000, -0.0001201300000000, -0.0010385700000000 ] - [ -0.0000273400000000, -0.0007611000000000, 0.0001908900000000 ] - [ -0.0022016800000000, -0.0000962300000000, -0.0013248900000000 ] - [ 0.0021969500000000, -0.0000913900000000, 0.0016395500000000 ] - [ 0.0001319200000000, -0.0029939200000000, -0.0003659900000000 ] - [ -0.0015808900000000, 0.0006289400000000, 0.0043184300000000 ] - [ 0.0016892500000000, 0.0006332600000000, -0.0047446100000000 ] - [ -0.0001174700000000, -0.0007198800000000, -0.0001901200000000 ] - [ -0.0009991800000000, 0.0002853600000000, -0.0004729800000000 ] - [ 0.0007620300000000, 0.0002878800000000, 0.0001099800000000 ] - [ 0.0004443800000000, -0.0022789700000000, 0.0004024000000000 ] - [ -0.0035588900000000, 0.0005382300000000, -0.0029205300000000 ] - [ 0.0041779500000000, 0.0005425500000000, 0.0035627100000000 ] - [ 0.0008830900000000, -0.0000561900000000, 0.0006811300000000 ] - [ 0.0000146300000000, 0.0001132700000000, 0.0001703400000000 ] - [ -0.0008532000000000, -0.0000559200000000, -0.0003407700000000 ] - [ 0.0005258100000000, -0.0000962500000000, -0.0009105000000000 ] - [ 0.0000627800000000, 0.0001875100000000, -0.0002275400000000 ] - [ -0.0004006700000000, -0.0000957800000000, 0.0004595100000000 ] - [ 0.0008839000000000, -0.0000567900000000, 0.0003324400000000 ] - [ -0.0001075100000000, 0.0001260100000000, -0.0001744700000000 ] - [ -0.0010985900000000, -0.0000559400000000, -0.0006821700000000 ] - [ -0.0001883300000000, 0.0130242300000000, -0.0001731400000000 ] - [ -0.0052419800000000, -0.0072281800000000, -0.0191600100000000 ] - [ 0.0047322800000000, -0.0071595000000000, 0.0192822400000000 ] - [ -0.0068835800000000, 0.0008310900000000, -0.0121593000000000 ] - [ -0.0000063800000000, -0.0019169900000000, -0.0005718800000000 ] - [ 0.0068429100000000, 0.0008171700000000, 0.0109956800000000 ] - [ 0.0000597500000000, 0.0014040900000000, 0.0000505300000000 ] - [ 0.0004529000000000, -0.0005884800000000, -0.0001296800000000 ] - [ -0.0003136500000000, -0.0005939500000000, 0.0001343200000000 ] - [ -0.0076358800000000, 0.0009520200000000, 0.0074365100000000 ] - [ 0.0001674800000000, -0.0016703300000000, -0.0000819800000000 ] - [ 0.0079291500000000, 0.0009619300000000, -0.0075359000000000 ] - [ 0.0002515900000000, 0.0104221700000000, 0.0004251800000000 ] - [ -0.0010498700000000, -0.0047103400000000, 0.0076557800000000 ] - [ 0.0012754400000000, -0.0046704900000000, -0.0071544900000000 ] - [ -0.0015510500000000, 0.0005323400000000, -0.0002065400000000 ] - [ -0.0001483500000000, -0.0010155000000000, -0.0001178500000000 ] - [ 0.0012527900000000, 0.0005257100000000, -0.0000174400000000 ] - [ -0.0004827500000000, 0.0148202200000000, 0.0001548400000000 ] - [ 0.0068983400000000, -0.0037358300000000, -0.0014920800000000 ] - [ -0.0081031800000000, -0.0037132100000000, 0.0017738600000000 ] - [ -0.0023176100000000, 0.0002406200000000, -0.0001414700000000 ] - [ 0.0000739500000000, -0.0004866200000000, -0.0000293300000000 ] - [ 0.0024706400000000, 0.0002375900000000, 0.0000793500000000 ] - [ 0.0009984900000000, 0.0068847700000000, -0.0009295800000000 ] - [ -0.0016552400000000, -0.0034619700000000, -0.0014591300000000 ] - [ 0.0035638700000000, -0.0034791200000000, -0.0003969300000000 ] - [ -0.0034697500000000, 0.0335211000000000, 0.0001772400000000 ] - [ 0.0005366700000000, -0.0378710700000000, 0.0006118800000000 ] - [ 0.0056800300000000, 0.0279625800000000, 0.0007600200000000 ] - [ 0.0003342500000000, 0.0059989000000000, 0.0000749300000000 ] - [ -0.0014249500000000, -0.0028933500000000, -0.0004635500000000 ] - [ 0.0020648700000000, -0.0029029400000000, 0.0005740100000000 ] - [ -0.0025134900000000, 0.0041775100000000, 0.0045574700000000 ] - [ -0.0007919300000000, -0.0087515700000000, -0.0000510800000000 ] - [ 0.0009209500000000, 0.0041280100000000, -0.0046197900000000 ] - [ 0.0014076200000000, 0.0323899100000000, -0.0000220800000000 ] - [ -0.0058568500000000, -0.0128169300000000, 0.0027212700000000 ] - [ 0.0091049800000000, -0.0127632500000000, -0.0030265500000000 ] - [ -0.0009840300000000, 0.0044915600000000, 0.0000679700000000 ] - [ -0.0010447300000000, -0.0084736500000000, 0.0004969200000000 ] - [ -0.0010811400000000, 0.0043881200000000, 0.0009415800000000 ] - [ -0.0004773800000000, 0.0001318400000000, -0.0000464500000000 ] - [ -0.0002582300000000, -0.0002587700000000, 0.0000867100000000 ] - [ -0.0000388900000000, 0.0001285300000000, 0.0002196400000000 ] - [ -0.0000122700000000, 0.0004282200000000, -0.0005578100000000 ] - [ 0.0007545600000000, -0.0002062200000000, -0.0001200800000000 ] - [ -0.0007459100000000, -0.0002113500000000, -0.0009781000000000 ] - [ -0.0005335900000000, 0.0001269300000000, -0.0004609000000000 ] - [ 0.0000640300000000, -0.0002517100000000, -0.0000114800000000 ] - [ 0.0006623700000000, 0.0001241700000000, 0.0004324400000000 ] - [ 0.0001159700000000, 0.0008111300000000, -0.0001398900000000 ] - [ 0.0030571300000000, -0.0003851200000000, 0.0016776400000000 ] - [ -0.0026796500000000, -0.0003904800000000, -0.0018498400000000 ] - [ -0.0007749600000000, 0.0001307500000000, -0.0000743600000000 ] - [ 0.0001045300000000, -0.0002584800000000, 0.0002231500000000 ] - [ 0.0009786200000000, 0.0001284700000000, 0.0005233700000000 ] - [ -0.0001344100000000, 0.0006065400000000, -0.0001105000000000 ] - [ 0.0017575600000000, -0.0002769000000000, 0.0008280600000000 ] - [ -0.0020196600000000, -0.0002812300000000, -0.0010538400000000 ] - [ -0.0027678400000000, 0.0001549000000000, -0.0000850300000000 ] - [ -0.0006228400000000, -0.0003114600000000, 0.0001425100000000 ] - [ 0.0015175400000000, 0.0001535500000000, 0.0003663200000000 ] - [ 0.0000202900000000, 0.0009273700000000, 0.0000530300000000 ] - [ 0.0035541500000000, -0.0004811000000000, -0.0023368700000000 ] - [ -0.0033645000000000, -0.0004872000000000, 0.0022711800000000 ] - [ 0.0011316400000000, 0.0012857700000000, -0.0009403300000000 ] - [ 0.0009572900000000, -0.0025192800000000, -0.0009246100000000 ] - [ 0.0007696500000000, 0.0012445900000000, -0.0009058800000000 ] - [ 0.0005360800000000, 0.0014859300000000, 0.0006137000000000 ] - [ 0.0009042700000000, -0.0007384200000000, 0.0005841500000000 ] - [ 0.0001878500000000, -0.0007472700000000, 0.0006409100000000 ] - [ 0.0003740400000000, 0.0008881400000000, 0.0001113100000000 ] - [ 0.0003237300000000, -0.0017490500000000, 0.0000491200000000 ] - [ 0.0002677200000000, 0.0008642100000000, -0.0000195200000000 ] - [ -0.0007948000000000, 0.0011310800000000, -0.0000636900000000 ] - [ -0.0002300200000000, -0.0005618500000000, 0.0001630700000000 ] - [ -0.0013387700000000, -0.0005728800000000, -0.0002798600000000 ] - [ 0.0015156800000000, 0.0006633900000000, -0.0001672800000000 ] - [ 0.0016325900000000, -0.0013033500000000, -0.0001622900000000 ] - [ 0.0017424400000000, 0.0006450500000000, -0.0001567700000000 ] - [ -0.0010511400000000, 0.0010258100000000, 0.0004966000000000 ] - [ -0.0003911900000000, -0.0005084600000000, 0.0007304400000000 ] - [ -0.0016912900000000, -0.0005164900000000, 0.0002675000000000 ]- atom: 13 displacement: [ -0.0020604768976038, 0.0000000000000000, 0.0097854195083523 ] forces: - [ 0.0315968500000000, 0.0000000000000000, 0.0922135400000000 ] - [ -0.0030452100000000, 0.0082238500000000, -0.0010943200000000 ] - [ -0.0030452100000000, -0.0082238500000000, -0.0010943200000000 ] - [ -0.0121982300000000, -0.0183748400000000, -0.0116836500000000 ] - [ -0.0025212600000000, 0.0000000000000000, -0.0019659600000000 ] - [ -0.0121982300000000, 0.0183748400000000, -0.0116836500000000 ] - [ -0.0482729100000000, 0.0000000000000000, 0.0589852100000000 ] - [ -0.0001815000000000, -0.0052646100000000, 0.0046148000000000 ] - [ -0.0001815000000000, 0.0052646100000000, 0.0046148000000000 ] - [ -0.0050940000000000, 0.0004790500000000, 0.0104468500000000 ] - [ -0.0018425900000000, 0.0000000000000000, 0.0015899000000000 ] - [ -0.0050940000000000, -0.0004790500000000, 0.0104468500000000 ] - [ 0.0524751700000000, 0.0000000000000000, -0.2240521500000000 ] - [ 0.0003233000000000, -0.0063310100000000, -0.0067200900000000 ] - [ 0.0003233000000000, 0.0063310100000000, -0.0067200900000000 ] - [ 0.0047275400000000, 0.0081808400000000, -0.0029316900000000 ] - [ -0.0003475800000000, 0.0000000000000000, -0.0004325200000000 ] - [ 0.0047275400000000, -0.0081808400000000, -0.0029316900000000 ] - [ 0.0000875200000000, 0.0001353800000000, 0.0004673800000000 ] - [ 0.0001839700000000, 0.0000000000000000, 0.0002293500000000 ] - [ 0.0000875200000000, -0.0001353800000000, 0.0004673800000000 ] - [ -0.0026854500000000, 0.0000000000000000, -0.0007814900000000 ] - [ 0.0000846700000000, 0.0004722300000000, -0.0004153300000000 ] - [ 0.0000846700000000, -0.0004722300000000, -0.0004153300000000 ] - [ 0.0013072600000000, 0.0003279600000000, -0.0000633400000000 ] - [ 0.0010610400000000, 0.0000000000000000, 0.0000291100000000 ] - [ 0.0013072600000000, -0.0003279600000000, -0.0000633400000000 ] - [ 0.0055323000000000, 0.0000000000000000, -0.0056962700000000 ] - [ 0.0003387800000000, -0.0001313400000000, -0.0004269100000000 ] - [ 0.0003387800000000, 0.0001313400000000, -0.0004269100000000 ] - [ -0.0020365100000000, 0.0003938800000000, -0.0001408900000000 ] - [ -0.0017881600000000, 0.0000000000000000, -0.0001648400000000 ] - [ -0.0020365100000000, -0.0003938800000000, -0.0001408900000000 ] - [ -0.0071657000000000, 0.0000000000000000, 0.0084976700000000 ] - [ -0.0003916600000000, 0.0006786100000000, 0.0016386200000000 ] - [ -0.0003916600000000, -0.0006786100000000, 0.0016386200000000 ] - [ -0.0005267500000000, -0.0000520500000000, -0.0004336900000000 ] - [ -0.0000840300000000, 0.0000000000000000, -0.0000089000000000 ] - [ -0.0005267500000000, 0.0000520500000000, -0.0004336900000000 ] - [ 0.0142696600000000, 0.0000000000000000, 0.0108962100000000 ] - [ 0.0009532600000000, -0.0004555000000000, 0.0009274100000000 ] - [ 0.0009532600000000, 0.0004555000000000, 0.0009274100000000 ] - [ -0.0132674500000000, 0.0000000000000000, 0.0115072900000000 ] - [ 0.0000670600000000, 0.0006450000000000, -0.0008870900000000 ] - [ 0.0000670600000000, -0.0006450000000000, -0.0008870900000000 ] - [ -0.0014948700000000, 0.0000000000000000, 0.0036364300000000 ] - [ 0.0002805600000000, 0.0003085500000000, 0.0004510600000000 ] - [ 0.0002805600000000, -0.0003085500000000, 0.0004510600000000 ] - [ -0.0090364400000000, 0.0000000000000000, -0.0141667800000000 ] - [ 0.0006469000000000, 0.0001289500000000, 0.0004006300000000 ] - [ 0.0006469000000000, -0.0001289500000000, 0.0004006300000000 ] - [ 0.0000770400000000, -0.0000020000000000, 0.0003521400000000 ] - [ -0.0001462400000000, 0.0000000000000000, 0.0000993000000000 ] - [ 0.0000770400000000, 0.0000020000000000, 0.0003521400000000 ] - [ 0.0001968300000000, 0.0000201200000000, -0.0009377300000000 ] - [ 0.0000526900000000, 0.0000000000000000, -0.0003393100000000 ] - [ 0.0001968300000000, -0.0000201200000000, -0.0009377300000000 ] - [ 0.0001401300000000, 0.0000711900000000, 0.0002415100000000 ] - [ -0.0001540600000000, 0.0000000000000000, -0.0001456300000000 ] - [ 0.0001401300000000, -0.0000711900000000, 0.0002415100000000 ] - [ -0.0030448800000000, 0.0000000000000000, 0.0762078000000000 ] - [ 0.0008742700000000, -0.0002683800000000, 0.0065617400000000 ] - [ 0.0008742700000000, 0.0002683800000000, 0.0065617400000000 ] - [ 0.0018938100000000, -0.0006174700000000, 0.0101696600000000 ] - [ 0.0008139200000000, 0.0000000000000000, 0.0019254600000000 ] - [ 0.0018938100000000, 0.0006174700000000, 0.0101696600000000 ] - [ 0.0136291200000000, 0.0000000000000000, -0.0331058500000000 ] - [ 0.0012663600000000, -0.0003095500000000, -0.0037917300000000 ] - [ 0.0012663600000000, 0.0003095500000000, -0.0037917300000000 ] - [ 0.0039619400000000, 0.0009553500000000, -0.0041075300000000 ] - [ 0.0011051900000000, 0.0000000000000000, -0.0007200300000000 ] - [ 0.0039619400000000, -0.0009553500000000, -0.0041075300000000 ] - [ 0.0200779400000000, 0.0000000000000000, -0.0066554000000000 ] - [ 0.0000931000000000, 0.0014803700000000, -0.0003573100000000 ] - [ 0.0000931000000000, -0.0014803700000000, -0.0003573100000000 ] - [ 0.0010522100000000, -0.0006997000000000, -0.0033264900000000 ] - [ 0.0004712100000000, 0.0000000000000000, -0.0007907200000000 ] - [ 0.0010522100000000, 0.0006997000000000, -0.0033264900000000 ] - [ -0.0281607100000000, 0.0000000000000000, 0.0246223900000000 ] - [ -0.0022626200000000, -0.0005397600000000, 0.0011424700000000 ] - [ -0.0022626200000000, 0.0005397600000000, 0.0011424700000000 ] - [ -0.0011321200000000, -0.0003721500000000, 0.0002732100000000 ] - [ 0.0001168600000000, 0.0000000000000000, 0.0000451500000000 ] - [ -0.0011321200000000, 0.0003721500000000, 0.0002732100000000 ] - [ -0.0129987600000000, 0.0000000000000000, -0.0009548900000000 ] - [ 0.0007660200000000, -0.0022890700000000, -0.0003931600000000 ] - [ 0.0007660200000000, 0.0022890700000000, -0.0003931600000000 ] - [ -0.0046491900000000, -0.0017864900000000, 0.0126329800000000 ] - [ 0.0014281800000000, 0.0000000000000000, 0.0016243300000000 ] - [ -0.0046491900000000, 0.0017864900000000, 0.0126329800000000 ] - [ 0.0053288300000000, 0.0000000000000000, -0.0104741800000000 ] - [ 0.0015487000000000, -0.0002100000000000, -0.0016847900000000 ] - [ 0.0015487000000000, 0.0002100000000000, -0.0016847900000000 ] - [ 0.0046726500000000, 0.0083330400000000, -0.0031879200000000 ] - [ 0.0004168600000000, 0.0000000000000000, -0.0002517500000000 ] - [ 0.0046726500000000, -0.0083330400000000, -0.0031879200000000 ] - [ -0.0016121000000000, 0.0000000000000000, 0.0148887700000000 ] - [ 0.0008805400000000, 0.0024317700000000, -0.0001110600000000 ] - [ 0.0008805400000000, -0.0024317700000000, -0.0001110600000000 ] - [ -0.0048475500000000, -0.0154303700000000, -0.0055563800000000 ] - [ -0.0013655000000000, 0.0000000000000000, -0.0004904800000000 ] - [ -0.0048475500000000, 0.0154303700000000, -0.0055563800000000 ] - [ -0.0002033200000000, -0.0000670600000000, 0.0001383000000000 ] - [ -0.0002289300000000, 0.0000000000000000, 0.0001005800000000 ] - [ -0.0002033200000000, 0.0000670600000000, 0.0001383000000000 ] - [ 0.0010940400000000, 0.0000000000000000, -0.0005807100000000 ] - [ 0.0000315700000000, -0.0001668100000000, -0.0005764200000000 ] - [ 0.0000315700000000, 0.0001668100000000, -0.0005764200000000 ] - [ -0.0001693200000000, -0.0000467600000000, -0.0002618800000000 ] - [ 0.0000696000000000, 0.0000000000000000, -0.0000524500000000 ] - [ -0.0001693200000000, 0.0000467600000000, -0.0002618800000000 ] - [ 0.0065941400000000, 0.0000000000000000, 0.0089884900000000 ] - [ -0.0003004100000000, -0.0000815700000000, 0.0002182600000000 ] - [ -0.0003004100000000, 0.0000815700000000, 0.0002182600000000 ] - [ 0.0000689600000000, -0.0000443100000000, 0.0001721700000000 ] - [ 0.0002701000000000, 0.0000000000000000, 0.0002885200000000 ] - [ 0.0000689600000000, 0.0000443100000000, 0.0001721700000000 ] - [ -0.0110190500000000, 0.0000000000000000, -0.0081903300000000 ] - [ -0.0011297400000000, 0.0002059000000000, -0.0009479400000000 ] - [ -0.0011297400000000, -0.0002059000000000, -0.0009479400000000 ] - [ 0.0000379900000000, -0.0000028500000000, 0.0008908300000000 ] - [ -0.0001989800000000, 0.0000000000000000, 0.0003578600000000 ] - [ 0.0000379900000000, 0.0000028500000000, 0.0008908300000000 ] - [ 0.0090253700000000, 0.0000000000000000, -0.0079535600000000 ] - [ 0.0000069400000000, -0.0005566200000000, -0.0002356700000000 ] - [ 0.0000069400000000, 0.0005566200000000, -0.0002356700000000 ] - [ 0.0014025000000000, -0.0010078000000000, -0.0014586000000000 ] - [ 0.0010201100000000, 0.0000000000000000, -0.0010690100000000 ] - [ 0.0014025000000000, 0.0010078000000000, -0.0014586000000000 ] - [ 0.0011090700000000, 0.0000000000000000, 0.0005795500000000 ] - [ 0.0005838500000000, -0.0002284100000000, 0.0006136200000000 ] - [ 0.0005838500000000, 0.0002284100000000, 0.0006136200000000 ] - [ -0.0001437600000000, 0.0000628400000000, 0.0000021800000000 ] - [ 0.0001483600000000, 0.0000000000000000, -0.0000126600000000 ] - [ -0.0001437600000000, -0.0000628400000000, 0.0000021800000000 ] - [ -0.0006428800000000, 0.0000000000000000, 0.0004831400000000 ] - [ -0.0009581700000000, -0.0001795100000000, -0.0000135200000000 ] - [ -0.0009581700000000, 0.0001795100000000, -0.0000135200000000 ] - [ 0.0018699900000000, -0.0005523200000000, -0.0000397700000000 ] - [ 0.0016728100000000, 0.0000000000000000, -0.0001075200000000 ] - [ 0.0018699900000000, 0.0005523200000000, -0.0000397700000000 ] - [ -0.0011710700000000, 0.0000000000000000, -0.0003606700000000 ] - [ -0.0011291000000000, -0.0001860500000000, 0.0002931000000000 ] - [ -0.0011291000000000, 0.0001860500000000, 0.0002931000000000 ]- atom: 13 displacement: [ 0.0020604768976038, 0.0000000000000000, -0.0097854195083523 ] forces: - [ -0.0309379800000000, 0.0000000000000000, -0.0914917100000000 ] - [ 0.0033828000000000, -0.0081747000000000, 0.0012118300000000 ] - [ 0.0033828000000000, 0.0081747000000000, 0.0012118300000000 ] - [ 0.0116875800000000, 0.0184742500000000, 0.0115468700000000 ] - [ 0.0021605400000000, 0.0000000000000000, 0.0017284700000000 ] - [ 0.0116875800000000, -0.0184742500000000, 0.0115468700000000 ] - [ 0.0510261500000000, 0.0000000000000000, -0.0595325800000000 ] - [ 0.0022270700000000, 0.0053365300000000, -0.0045223600000000 ] - [ 0.0022270700000000, -0.0053365300000000, -0.0045223600000000 ] - [ 0.0038508900000000, -0.0004293100000000, -0.0108838200000000 ] - [ 0.0005630400000000, 0.0000000000000000, -0.0020429800000000 ] - [ 0.0038508900000000, 0.0004293100000000, -0.0108838200000000 ] - [ -0.0568567500000000, 0.0000000000000000, 0.2170168500000000 ] - [ -0.0031702500000000, 0.0061257500000000, 0.0064631000000000 ] - [ -0.0031702500000000, -0.0061257500000000, 0.0064631000000000 ] - [ -0.0054266200000000, -0.0081490800000000, 0.0040679300000000 ] - [ -0.0003697600000000, 0.0000000000000000, 0.0015738600000000 ] - [ -0.0054266200000000, 0.0081490800000000, 0.0040679300000000 ] - [ 0.0002756800000000, -0.0001264200000000, -0.0002829500000000 ] - [ 0.0001829100000000, 0.0000000000000000, -0.0000387900000000 ] - [ 0.0002756800000000, 0.0001264200000000, -0.0002829500000000 ] - [ 0.0023829100000000, 0.0000000000000000, 0.0005353000000000 ] - [ -0.0003942700000000, -0.0004722100000000, 0.0001660400000000 ] - [ -0.0003942700000000, 0.0004722100000000, 0.0001660400000000 ] - [ 0.0007645800000000, -0.0003244800000000, 0.0001490900000000 ] - [ 0.0010114800000000, 0.0000000000000000, 0.0000515300000000 ] - [ 0.0007645800000000, 0.0003244800000000, 0.0001490900000000 ] - [ -0.0069137200000000, 0.0000000000000000, 0.0053042400000000 ] - [ -0.0016170300000000, 0.0001396300000000, -0.0000161700000000 ] - [ -0.0016170300000000, -0.0001396300000000, -0.0000161700000000 ] - [ -0.0008014600000000, -0.0003929700000000, -0.0001157400000000 ] - [ -0.0010531900000000, 0.0000000000000000, -0.0000931100000000 ] - [ -0.0008014600000000, 0.0003929700000000, -0.0001157400000000 ] - [ 0.0064726700000000, 0.0000000000000000, -0.0074358900000000 ] - [ -0.0003111800000000, -0.0006723400000000, -0.0004933600000000 ] - [ -0.0003111800000000, 0.0006723400000000, -0.0004933600000000 ] - [ 0.0011753000000000, 0.0000524200000000, 0.0010924200000000 ] - [ 0.0007273300000000, 0.0000000000000000, 0.0006639200000000 ] - [ 0.0011753000000000, -0.0000524200000000, 0.0010924200000000 ] - [ -0.0144549400000000, 0.0000000000000000, -0.0109789300000000 ] - [ -0.0009265800000000, 0.0004645100000000, -0.0005888300000000 ] - [ -0.0009265800000000, -0.0004645100000000, -0.0005888300000000 ] - [ 0.0132948000000000, 0.0000000000000000, -0.0121491000000000 ] - [ 0.0000612600000000, -0.0006452800000000, 0.0004158500000000 ] - [ 0.0000612600000000, 0.0006452800000000, 0.0004158500000000 ] - [ 0.0012121900000000, 0.0000000000000000, -0.0040047800000000 ] - [ -0.0005051100000000, -0.0003048900000000, -0.0008071700000000 ] - [ -0.0005051100000000, 0.0003048900000000, -0.0008071700000000 ] - [ 0.0097369200000000, 0.0000000000000000, 0.0149059500000000 ] - [ 0.0000137300000000, -0.0001321600000000, 0.0002702600000000 ] - [ 0.0000137300000000, 0.0001321600000000, 0.0002702600000000 ] - [ -0.0000529900000000, 0.0000021100000000, -0.0000131500000000 ] - [ 0.0001647300000000, 0.0000000000000000, 0.0002348600000000 ] - [ -0.0000529900000000, -0.0000021100000000, -0.0000131500000000 ] - [ -0.0000746500000000, -0.0000199100000000, 0.0004887100000000 ] - [ 0.0000689000000000, 0.0000000000000000, -0.0001083700000000 ] - [ -0.0000746500000000, 0.0000199100000000, 0.0004887100000000 ] - [ -0.0003644700000000, -0.0000709900000000, -0.0005952900000000 ] - [ -0.0000709700000000, 0.0000000000000000, -0.0002091300000000 ] - [ -0.0003644700000000, 0.0000709900000000, -0.0005952900000000 ] - [ 0.0045117300000000, 0.0000000000000000, -0.0681038300000000 ] - [ -0.0013581900000000, 0.0002917800000000, -0.0062451600000000 ] - [ -0.0013581900000000, -0.0002917800000000, -0.0062451600000000 ] - [ -0.0018695400000000, 0.0005895700000000, -0.0112365200000000 ] - [ -0.0008005700000000, 0.0000000000000000, -0.0030199800000000 ] - [ -0.0018695400000000, -0.0005895700000000, -0.0112365200000000 ] - [ -0.0135681400000000, 0.0000000000000000, 0.0331288600000000 ] - [ -0.0011345600000000, 0.0002987100000000, 0.0037836800000000 ] - [ -0.0011345600000000, -0.0002987100000000, 0.0037836800000000 ] - [ -0.0035817100000000, -0.0009600100000000, 0.0038888000000000 ] - [ -0.0007390000000000, 0.0000000000000000, 0.0005342900000000 ] - [ -0.0035817100000000, 0.0009600100000000, 0.0038888000000000 ] - [ -0.0203672600000000, 0.0000000000000000, 0.0055860000000000 ] - [ 0.0001353600000000, -0.0014814400000000, 0.0007576900000000 ] - [ 0.0001353600000000, 0.0014814400000000, 0.0007576900000000 ] - [ -0.0013503300000000, 0.0006917300000000, 0.0030947500000000 ] - [ -0.0007526600000000, 0.0000000000000000, 0.0005555700000000 ] - [ -0.0013503300000000, -0.0006917300000000, 0.0030947500000000 ] - [ 0.0263949100000000, 0.0000000000000000, -0.0242223300000000 ] - [ 0.0010089000000000, 0.0005444100000000, -0.0008435300000000 ] - [ 0.0010089000000000, -0.0005444100000000, -0.0008435300000000 ] - [ 0.0012987400000000, 0.0003716200000000, -0.0003291900000000 ] - [ 0.0000543000000000, 0.0000000000000000, -0.0001033600000000 ] - [ 0.0012987400000000, -0.0003716200000000, -0.0003291900000000 ] - [ 0.0149075300000000, 0.0000000000000000, -0.0009197200000000 ] - [ 0.0011579100000000, 0.0022735000000000, -0.0014535000000000 ] - [ 0.0011579100000000, -0.0022735000000000, -0.0014535000000000 ] - [ 0.0056683000000000, 0.0015043700000000, -0.0111981400000000 ] - [ -0.0002821200000000, 0.0000000000000000, -0.0004062800000000 ] - [ 0.0056683000000000, -0.0015043700000000, -0.0111981400000000 ] - [ -0.0047440800000000, 0.0000000000000000, 0.0106290600000000 ] - [ -0.0008972300000000, 0.0001866900000000, 0.0017921300000000 ] - [ -0.0008972300000000, -0.0001866900000000, 0.0017921300000000 ] - [ -0.0062798100000000, -0.0084396100000000, 0.0030554500000000 ] - [ -0.0019885200000000, 0.0000000000000000, 0.0001245100000000 ] - [ -0.0062798100000000, 0.0084396100000000, 0.0030554500000000 ] - [ 0.0054215800000000, 0.0000000000000000, -0.0152453900000000 ] - [ 0.0024167600000000, -0.0024538900000000, -0.0002359000000000 ] - [ 0.0024167600000000, 0.0024538900000000, -0.0002359000000000 ] - [ 0.0027383100000000, 0.0153886600000000, 0.0065182000000000 ] - [ -0.0007151000000000, 0.0000000000000000, 0.0014953000000000 ] - [ 0.0027383100000000, -0.0153886600000000, 0.0065182000000000 ] - [ -0.0003064400000000, 0.0000668700000000, 0.0000431200000000 ] - [ -0.0002829900000000, 0.0000000000000000, 0.0000774100000000 ] - [ -0.0003064400000000, -0.0000668700000000, 0.0000431200000000 ] - [ -0.0010948900000000, 0.0000000000000000, -0.0005107200000000 ] - [ -0.0000272900000000, 0.0001666000000000, -0.0005173700000000 ] - [ -0.0000272900000000, -0.0001666000000000, -0.0005173700000000 ] - [ 0.0003086400000000, 0.0000457100000000, 0.0002400600000000 ] - [ 0.0000677400000000, 0.0000000000000000, 0.0000357600000000 ] - [ 0.0003086400000000, -0.0000457100000000, 0.0002400600000000 ] - [ -0.0062617300000000, 0.0000000000000000, -0.0092234800000000 ] - [ 0.0006510800000000, 0.0000820200000000, -0.0004090700000000 ] - [ 0.0006510800000000, -0.0000820200000000, -0.0004090700000000 ] - [ 0.0001471500000000, 0.0000442600000000, 0.0002759700000000 ] - [ -0.0000483400000000, 0.0000000000000000, 0.0001618700000000 ] - [ 0.0001471500000000, -0.0000442600000000, 0.0002759700000000 ] - [ 0.0109047400000000, 0.0000000000000000, 0.0080716000000000 ] - [ 0.0008448500000000, -0.0002105300000000, 0.0007081300000000 ] - [ 0.0008448500000000, 0.0002105300000000, 0.0007081300000000 ] - [ -0.0012650000000000, 0.0000029200000000, -0.0006053100000000 ] - [ -0.0010245600000000, 0.0000000000000000, -0.0000718500000000 ] - [ -0.0012650000000000, -0.0000029200000000, -0.0006053100000000 ] - [ -0.0088853400000000, 0.0000000000000000, 0.0080499500000000 ] - [ 0.0001507700000000, 0.0005533500000000, 0.0001911100000000 ] - [ 0.0001507700000000, -0.0005533500000000, 0.0001911100000000 ] - [ 0.0005113500000000, 0.0010014100000000, -0.0003853500000000 ] - [ 0.0008936700000000, 0.0000000000000000, -0.0007794100000000 ] - [ 0.0005113500000000, -0.0010014100000000, -0.0003853500000000 ] - [ -0.0000171100000000, 0.0000000000000000, 0.0006467700000000 ] - [ 0.0005104400000000, 0.0002261400000000, 0.0006114900000000 ] - [ 0.0005104400000000, -0.0002261400000000, 0.0006114900000000 ] - [ 0.0007970600000000, -0.0000726000000000, 0.0000918400000000 ] - [ 0.0005016900000000, 0.0000000000000000, 0.0001100500000000 ] - [ 0.0007970600000000, 0.0000726000000000, 0.0000918400000000 ] - [ -0.0009231100000000, 0.0000000000000000, -0.0006055000000000 ] - [ -0.0006126000000000, 0.0001775500000000, -0.0001052900000000 ] - [ -0.0006126000000000, -0.0001775500000000, -0.0001052900000000 ] - [ 0.0013965400000000, 0.0005503000000000, -0.0002837500000000 ] - [ 0.0015957000000000, 0.0000000000000000, -0.0002154500000000 ] - [ 0.0013965400000000, -0.0005503000000000, -0.0002837500000000 ] - [ -0.0008997500000000, 0.0000000000000000, 0.0013686000000000 ] - [ -0.0009565600000000, 0.0001807600000000, 0.0007034500000000 ] - [ -0.0009565600000000, -0.0001807600000000, 0.0007034500000000 ]- atom: 16 displacement: [ 0.0099999983408567, 0.0000000000000000, 0.0000057604567923 ] forces: - [ 0.0151994400000000, 0.0369415500000000, -0.0004317600000000 ] - [ 0.0151994400000000, -0.0369415500000000, -0.0004317600000000 ] - [ 0.0018825900000000, 0.0000000000000000, 0.0004120300000000 ] - [ -0.0015264700000000, 0.0000000000000000, 0.0184989000000000 ] - [ -0.0026078400000000, -0.0015042400000000, 0.0004571500000000 ] - [ -0.0026078400000000, 0.0015042400000000, 0.0004571500000000 ] - [ 0.0021142300000000, 0.0012982900000000, -0.0031425100000000 ] - [ 0.0021142300000000, -0.0012982900000000, -0.0031425100000000 ] - [ 0.0027113100000000, 0.0000000000000000, 0.0002468400000000 ] - [ -0.0238787500000000, 0.0000000000000000, -0.0195548400000000 ] - [ -0.0032095300000000, -0.0007229100000000, -0.0021870300000000 ] - [ -0.0032095300000000, 0.0007229100000000, -0.0021870300000000 ] - [ 0.0040335600000000, 0.0029964500000000, 0.0061856100000000 ] - [ 0.0040335600000000, -0.0029964500000000, 0.0061856100000000 ] - [ 0.0021957200000000, 0.0000000000000000, 0.0006408800000000 ] - [ -0.2904798300000000, 0.0000000000000000, 0.0294791300000000 ] - [ -0.0093948100000000, -0.0055126700000000, 0.0008678000000000 ] - [ -0.0093948100000000, 0.0055126700000000, 0.0008678000000000 ] - [ 0.0152715500000000, 0.0000000000000000, 0.0002043100000000 ] - [ 0.0018768300000000, 0.0022866900000000, 0.0004524300000000 ] - [ 0.0018768300000000, -0.0022866900000000, 0.0004524300000000 ] - [ 0.0039598600000000, -0.0023749600000000, 0.0012382200000000 ] - [ 0.0039598600000000, 0.0023749600000000, 0.0012382200000000 ] - [ 0.0021438000000000, 0.0000000000000000, 0.0006644300000000 ] - [ 0.0080152400000000, 0.0000000000000000, 0.0123396000000000 ] - [ 0.0003544000000000, 0.0028969100000000, 0.0003769400000000 ] - [ 0.0003544000000000, -0.0028969100000000, 0.0003769400000000 ] - [ 0.0033976700000000, -0.0023401300000000, 0.0004146800000000 ] - [ 0.0033976700000000, 0.0023401300000000, 0.0004146800000000 ] - [ 0.0019013300000000, 0.0000000000000000, 0.0001937500000000 ] - [ 0.0122722900000000, 0.0000000000000000, -0.0042442100000000 ] - [ -0.0033087000000000, 0.0037249800000000, -0.0005682300000000 ] - [ -0.0033087000000000, -0.0037249800000000, -0.0005682300000000 ] - [ 0.0062446400000000, -0.0017212600000000, 0.0009566900000000 ] - [ 0.0062446400000000, 0.0017212600000000, 0.0009566900000000 ] - [ 0.0040317700000000, 0.0000000000000000, 0.0008728800000000 ] - [ -0.0088420400000000, 0.0000000000000000, -0.0060256200000000 ] - [ -0.0025761500000000, 0.0003147700000000, -0.0019754000000000 ] - [ -0.0025761500000000, -0.0003147700000000, -0.0019754000000000 ] - [ 0.0027410100000000, -0.0000051400000000, 0.0019648000000000 ] - [ 0.0027410100000000, 0.0000051400000000, 0.0019648000000000 ] - [ 0.0020133400000000, 0.0000000000000000, 0.0015663700000000 ] - [ 0.0011544400000000, 0.0000431400000000, -0.0023626700000000 ] - [ 0.0011544400000000, -0.0000431400000000, -0.0023626700000000 ] - [ 0.0007965800000000, 0.0000000000000000, -0.0018273200000000 ] - [ 0.0030097500000000, 0.0001225800000000, 0.0019327600000000 ] - [ 0.0030097500000000, -0.0001225800000000, 0.0019327600000000 ] - [ 0.0018338700000000, 0.0000000000000000, 0.0011670200000000 ] - [ 0.0033365300000000, 0.0000062000000000, 0.0027205300000000 ] - [ 0.0033365300000000, -0.0000062000000000, 0.0027205300000000 ] - [ 0.0024392700000000, 0.0000000000000000, 0.0020021900000000 ] - [ -0.0017627900000000, 0.0000000000000000, 0.0004543000000000 ] - [ -0.0025489700000000, 0.0004052700000000, -0.0015183200000000 ] - [ -0.0025489700000000, -0.0004052700000000, -0.0015183200000000 ] - [ 0.0156714500000000, 0.0000000000000000, -0.0467976600000000 ] - [ -0.0006701200000000, 0.0009675500000000, 0.0012718600000000 ] - [ -0.0006701200000000, -0.0009675500000000, 0.0012718600000000 ] - [ 0.0389399400000000, 0.0000000000000000, 0.0175998600000000 ] - [ -0.0018185700000000, 0.0012565100000000, -0.0014981700000000 ] - [ -0.0018185700000000, -0.0012565100000000, -0.0014981700000000 ] - [ -0.0040342800000000, -0.0021404200000000, -0.0078481000000000 ] - [ -0.0040342800000000, 0.0021404200000000, -0.0078481000000000 ] - [ -0.0010075300000000, 0.0000000000000000, -0.0009061200000000 ] - [ 0.0160727600000000, 0.0000000000000000, 0.0145376900000000 ] - [ 0.0010556800000000, 0.0009124200000000, -0.0015582000000000 ] - [ 0.0010556800000000, -0.0009124200000000, -0.0015582000000000 ] - [ -0.0046856400000000, -0.0019706000000000, 0.0031735500000000 ] - [ -0.0046856400000000, 0.0019706000000000, 0.0031735500000000 ] - [ -0.0016501900000000, 0.0000000000000000, -0.0004576300000000 ] - [ 0.0098055400000000, 0.0000000000000000, -0.0000861100000000 ] - [ 0.0029250900000000, -0.0000113800000000, 0.0013045600000000 ] - [ 0.0029250900000000, 0.0000113800000000, 0.0013045600000000 ] - [ -0.0029070600000000, -0.0002081900000000, -0.0013772900000000 ] - [ -0.0029070600000000, 0.0002081900000000, -0.0013772900000000 ] - [ -0.0022056000000000, 0.0000000000000000, -0.0008066300000000 ] - [ 0.0311083800000000, 0.0000000000000000, -0.0112532300000000 ] - [ 0.0031523500000000, 0.0003186600000000, 0.0023569300000000 ] - [ 0.0031523500000000, -0.0003186600000000, 0.0023569300000000 ] - [ -0.0055795000000000, -0.0001265200000000, 0.0002037200000000 ] - [ -0.0055795000000000, 0.0001265200000000, 0.0002037200000000 ] - [ -0.0040675500000000, 0.0000000000000000, 0.0003581800000000 ] - [ 0.1510966200000000, 0.0000000000000000, -0.0231952000000000 ] - [ 0.0074736300000000, -0.0024013100000000, -0.0009973600000000 ] - [ 0.0074736300000000, 0.0024013100000000, -0.0009973600000000 ] - [ 0.0303868000000000, 0.0163963800000000, -0.0023604600000000 ] - [ 0.0303868000000000, -0.0163963800000000, -0.0023604600000000 ] - [ 0.0004368300000000, 0.0000000000000000, -0.0007449500000000 ] - [ -0.0016933500000000, 0.0000000000000000, -0.0004821500000000 ] - [ 0.0005226900000000, 0.0022694700000000, -0.0000348800000000 ] - [ 0.0005226900000000, -0.0022694700000000, -0.0000348800000000 ] - [ 0.0024977200000000, -0.0006112400000000, 0.0036452800000000 ] - [ 0.0024977200000000, 0.0006112400000000, 0.0036452800000000 ] - [ 0.0003385800000000, 0.0000000000000000, 0.0006735200000000 ] - [ 0.0016647100000000, 0.0000000000000000, 0.0008231600000000 ] - [ -0.0002923600000000, 0.0013907200000000, 0.0001470700000000 ] - [ -0.0002923600000000, -0.0013907200000000, 0.0001470700000000 ] - [ 0.0015872900000000, -0.0024584900000000, -0.0007704300000000 ] - [ 0.0015872900000000, 0.0024584900000000, -0.0007704300000000 ] - [ 0.0013204300000000, 0.0000000000000000, -0.0003239300000000 ] - [ -0.0076131300000000, 0.0000000000000000, 0.0076548300000000 ] - [ 0.0016108100000000, 0.0038007700000000, 0.0015251800000000 ] - [ 0.0016108100000000, -0.0038007700000000, 0.0015251800000000 ] - [ -0.0044329000000000, 0.0000000000000000, -0.0004425000000000 ] - [ -0.0004357500000000, -0.0006898700000000, -0.0002377800000000 ] - [ -0.0004357500000000, 0.0006898700000000, -0.0002377800000000 ] - [ -0.0016788400000000, 0.0004006500000000, -0.0027949100000000 ] - [ -0.0016788400000000, -0.0004006500000000, -0.0027949100000000 ] - [ -0.0010182300000000, 0.0000000000000000, -0.0018642700000000 ] - [ -0.0207581800000000, 0.0000000000000000, -0.0153178700000000 ] - [ 0.0004857600000000, -0.0009762600000000, 0.0005030900000000 ] - [ 0.0004857600000000, 0.0009762600000000, 0.0005030900000000 ] - [ -0.0027841400000000, 0.0003546600000000, -0.0013084600000000 ] - [ -0.0027841400000000, -0.0003546600000000, -0.0013084600000000 ] - [ -0.0017889900000000, 0.0000000000000000, -0.0009435700000000 ] - [ 0.0000910800000000, 0.0000000000000000, 0.0004890200000000 ] - [ 0.0024198500000000, -0.0006493900000000, 0.0012688200000000 ] - [ 0.0024198500000000, 0.0006493900000000, 0.0012688200000000 ] - [ -0.0035791800000000, 0.0002758400000000, -0.0006683800000000 ] - [ -0.0035791800000000, -0.0002758400000000, -0.0006683800000000 ] - [ -0.0025382900000000, 0.0000000000000000, -0.0006489200000000 ] - [ -0.0117643600000000, 0.0000000000000000, 0.0292567600000000 ] - [ 0.0025714000000000, -0.0009376200000000, 0.0004261800000000 ] - [ 0.0025714000000000, 0.0009376200000000, 0.0004261800000000 ] - [ -0.0056324300000000, -0.0000063500000000, 0.0003692100000000 ] - [ -0.0056324300000000, 0.0000063500000000, 0.0003692100000000 ] - [ -0.0037391400000000, 0.0000000000000000, 0.0003673300000000 ] - [ -0.0035609400000000, 0.0000000000000000, -0.0007350600000000 ] - [ -0.0004858500000000, -0.0007814600000000, -0.0008809000000000 ] - [ -0.0004858500000000, 0.0007814600000000, -0.0008809000000000 ] - [ -0.0012762200000000, 0.0050462700000000, 0.0009994100000000 ] - [ -0.0012762200000000, -0.0050462700000000, 0.0009994100000000 ] - [ -0.0000033600000000, 0.0000000000000000, 0.0007902400000000 ] - [ -0.0041848200000000, 0.0000000000000000, -0.0014918600000000 ] - [ -0.0002628300000000, -0.0010617700000000, -0.0000957100000000 ] - [ -0.0002628300000000, 0.0010617700000000, -0.0000957100000000 ] - [ -0.0024427600000000, 0.0040992000000000, -0.0008871600000000 ] - [ -0.0024427600000000, -0.0040992000000000, -0.0008871600000000 ] - [ -0.0015655600000000, 0.0000000000000000, -0.0003579700000000 ] - [ -0.0016047200000000, 0.0000000000000000, -0.0011993300000000 ] - [ 0.0014014900000000, -0.0012139900000000, -0.0002514000000000 ] - [ 0.0014014900000000, 0.0012139900000000, -0.0002514000000000 ] - [ -0.0033767400000000, 0.0028707200000000, 0.0000977400000000 ] - [ -0.0033767400000000, -0.0028707200000000, 0.0000977400000000 ] - [ -0.0022175500000000, 0.0000000000000000, 0.0002043600000000 ]- atom: 16 displacement: [ -0.0099999983408567, 0.0000000000000000, -0.0000057604567923 ] forces: - [ -0.0149067700000000, -0.0373880600000000, 0.0006763200000000 ] - [ -0.0149067700000000, 0.0373880600000000, 0.0006763200000000 ] - [ -0.0014670100000000, 0.0000000000000000, -0.0002398100000000 ] - [ 0.0012852300000000, 0.0000000000000000, -0.0185101700000000 ] - [ 0.0023037200000000, 0.0014917400000000, -0.0006753700000000 ] - [ 0.0023037200000000, -0.0014917400000000, -0.0006753700000000 ] - [ -0.0000329300000000, -0.0013073300000000, 0.0032591600000000 ] - [ -0.0000329300000000, 0.0013073300000000, 0.0032591600000000 ] - [ -0.0006249500000000, 0.0000000000000000, -0.0001609700000000 ] - [ 0.0226734800000000, 0.0000000000000000, 0.0193588700000000 ] - [ 0.0019465100000000, 0.0007229500000000, 0.0017268800000000 ] - [ 0.0019465100000000, -0.0007229500000000, 0.0017268800000000 ] - [ -0.0068429600000000, -0.0029843800000000, -0.0064784900000000 ] - [ -0.0068429600000000, 0.0029843800000000, -0.0064784900000000 ] - [ -0.0050139200000000, 0.0000000000000000, -0.0008965600000000 ] - [ 0.2799986000000000, 0.0000000000000000, -0.0259262900000000 ] - [ 0.0086039100000000, 0.0054210500000000, 0.0002982800000000 ] - [ 0.0086039100000000, -0.0054210500000000, 0.0002982800000000 ] - [ -0.0147974800000000, 0.0000000000000000, -0.0000492400000000 ] - [ -0.0015068000000000, -0.0022709200000000, -0.0002634800000000 ] - [ -0.0015068000000000, 0.0022709200000000, -0.0002634800000000 ] - [ -0.0042667800000000, 0.0023663900000000, -0.0014800200000000 ] - [ -0.0042667800000000, -0.0023663900000000, -0.0014800200000000 ] - [ -0.0024553100000000, 0.0000000000000000, -0.0009113600000000 ] - [ -0.0059065000000000, 0.0000000000000000, -0.0120855400000000 ] - [ 0.0017067000000000, -0.0028781000000000, -0.0002929700000000 ] - [ 0.0017067000000000, 0.0028781000000000, -0.0002929700000000 ] - [ -0.0046589200000000, 0.0023245200000000, -0.0008631800000000 ] - [ -0.0046589200000000, -0.0023245200000000, -0.0008631800000000 ] - [ -0.0031693200000000, 0.0000000000000000, -0.0006439500000000 ] - [ -0.0150581700000000, 0.0000000000000000, 0.0039320500000000 ] - [ 0.0004498400000000, -0.0037100300000000, 0.0003048900000000 ] - [ 0.0004498400000000, 0.0037100300000000, 0.0003048900000000 ] - [ -0.0069319300000000, 0.0017092000000000, 0.0001938900000000 ] - [ -0.0069319300000000, -0.0017092000000000, 0.0001938900000000 ] - [ -0.0047236800000000, 0.0000000000000000, 0.0002801500000000 ] - [ 0.0093827500000000, 0.0000000000000000, 0.0066222000000000 ] - [ 0.0032044300000000, -0.0003138900000000, 0.0026184100000000 ] - [ 0.0032044300000000, 0.0003138900000000, 0.0026184100000000 ] - [ -0.0027107300000000, 0.0000048100000000, -0.0016218700000000 ] - [ -0.0027107300000000, -0.0000048100000000, -0.0016218700000000 ] - [ -0.0019832800000000, 0.0000000000000000, -0.0012241200000000 ] - [ -0.0010288000000000, -0.0000436000000000, 0.0019030400000000 ] - [ -0.0010288000000000, 0.0000436000000000, 0.0019030400000000 ] - [ -0.0006706700000000, 0.0000000000000000, 0.0013695100000000 ] - [ -0.0032232400000000, -0.0001238600000000, -0.0022787400000000 ] - [ -0.0032232400000000, 0.0001238600000000, -0.0022787400000000 ] - [ -0.0020461900000000, 0.0000000000000000, -0.0015130300000000 ] - [ -0.0026810400000000, -0.0000061000000000, -0.0020558300000000 ] - [ -0.0026810400000000, 0.0000061000000000, -0.0020558300000000 ] - [ -0.0017849100000000, 0.0000000000000000, -0.0013387300000000 ] - [ 0.0017424600000000, 0.0000000000000000, -0.0001592100000000 ] - [ 0.0025497800000000, -0.0004040500000000, 0.0018406900000000 ] - [ 0.0025497800000000, 0.0004040500000000, 0.0018406900000000 ] - [ -0.0153753600000000, 0.0000000000000000, 0.0459373900000000 ] - [ 0.0007857000000000, -0.0009623300000000, -0.0017052000000000 ] - [ 0.0007857000000000, 0.0009623300000000, -0.0017052000000000 ] - [ -0.0384149600000000, 0.0000000000000000, -0.0176377800000000 ] - [ 0.0015793900000000, -0.0012458500000000, 0.0011293700000000 ] - [ 0.0015793900000000, 0.0012458500000000, 0.0011293700000000 ] - [ 0.0035218800000000, 0.0021635400000000, 0.0080508600000000 ] - [ 0.0035218800000000, -0.0021635400000000, 0.0080508600000000 ] - [ 0.0004923200000000, 0.0000000000000000, 0.0010939900000000 ] - [ -0.0156116900000000, 0.0000000000000000, -0.0156628500000000 ] - [ -0.0010599800000000, -0.0009033000000000, 0.0004004700000000 ] - [ -0.0010599800000000, 0.0009033000000000, 0.0004004700000000 ] - [ 0.0048081700000000, 0.0019907200000000, -0.0032125600000000 ] - [ 0.0048081700000000, -0.0019907200000000, -0.0032125600000000 ] - [ 0.0017756500000000, 0.0000000000000000, 0.0004295700000000 ] - [ -0.0093314100000000, 0.0000000000000000, -0.0001242200000000 ] - [ -0.0025525800000000, 0.0000112100000000, -0.0014789600000000 ] - [ -0.0025525800000000, -0.0000112100000000, -0.0014789600000000 ] - [ 0.0031135300000000, 0.0002070500000000, 0.0018214100000000 ] - [ 0.0031135300000000, -0.0002070500000000, 0.0018214100000000 ] - [ 0.0024104700000000, 0.0000000000000000, 0.0012530500000000 ] - [ -0.0313675600000000, 0.0000000000000000, 0.0105980100000000 ] - [ -0.0034275500000000, -0.0003146500000000, -0.0025562800000000 ] - [ -0.0034275500000000, 0.0003146500000000, -0.0025562800000000 ] - [ 0.0043341100000000, 0.0001256500000000, 0.0000868700000000 ] - [ 0.0043341100000000, -0.0001256500000000, 0.0000868700000000 ] - [ 0.0028233800000000, 0.0000000000000000, -0.0000686500000000 ] - [ -0.1414597000000000, 0.0000000000000000, 0.0204497700000000 ] - [ -0.0072321800000000, 0.0023625000000000, 0.0009284500000000 ] - [ -0.0072321800000000, -0.0023625000000000, 0.0009284500000000 ] - [ -0.0281802300000000, -0.0167994100000000, 0.0004854900000000 ] - [ -0.0281802300000000, 0.0167994100000000, 0.0004854900000000 ] - [ 0.0014094700000000, 0.0000000000000000, -0.0010941200000000 ] - [ 0.0027415900000000, 0.0000000000000000, 0.0017152600000000 ] - [ 0.0005609300000000, -0.0022751800000000, 0.0012639900000000 ] - [ 0.0005609300000000, 0.0022751800000000, 0.0012639900000000 ] - [ -0.0018705100000000, 0.0006281400000000, -0.0035759600000000 ] - [ -0.0018705100000000, -0.0006281400000000, -0.0035759600000000 ] - [ 0.0003044300000000, 0.0000000000000000, -0.0005742400000000 ] - [ -0.0032382800000000, 0.0000000000000000, -0.0009547100000000 ] - [ -0.0012814400000000, -0.0013942300000000, -0.0002723200000000 ] - [ -0.0012814400000000, 0.0013942300000000, -0.0002723200000000 ] - [ 0.0016625000000000, 0.0024299700000000, 0.0004359500000000 ] - [ 0.0016625000000000, -0.0024299700000000, 0.0004359500000000 ] - [ 0.0019387300000000, 0.0000000000000000, -0.0000029800000000 ] - [ 0.0042548900000000, 0.0000000000000000, -0.0062772700000000 ] - [ -0.0037267100000000, -0.0038296400000000, -0.0005297100000000 ] - [ -0.0037267100000000, 0.0038296400000000, -0.0005297100000000 ] - [ 0.0039014800000000, 0.0000000000000000, 0.0006696900000000 ] - [ -0.0000738900000000, 0.0006862800000000, 0.0004195900000000 ] - [ -0.0000738900000000, -0.0006862800000000, 0.0004195900000000 ] - [ 0.0016795400000000, -0.0003985900000000, 0.0016876300000000 ] - [ 0.0016795400000000, 0.0003985900000000, 0.0016876300000000 ] - [ 0.0010227900000000, 0.0000000000000000, 0.0007650300000000 ] - [ 0.0206160400000000, 0.0000000000000000, 0.0150621300000000 ] - [ -0.0003427100000000, 0.0009686100000000, -0.0005179400000000 ] - [ -0.0003427100000000, -0.0009686100000000, -0.0005179400000000 ] - [ 0.0031330500000000, -0.0003529300000000, 0.0011252700000000 ] - [ 0.0031330500000000, 0.0003529300000000, 0.0011252700000000 ] - [ 0.0021446900000000, 0.0000000000000000, 0.0007602400000000 ] - [ 0.0001717600000000, 0.0000000000000000, -0.0000339200000000 ] - [ -0.0021793400000000, 0.0006465900000000, -0.0008116700000000 ] - [ -0.0021793400000000, -0.0006465900000000, -0.0008116700000000 ] - [ 0.0032830600000000, -0.0002745100000000, 0.0004277900000000 ] - [ 0.0032830600000000, 0.0002745100000000, 0.0004277900000000 ] - [ 0.0022462000000000, 0.0000000000000000, 0.0004079800000000 ] - [ 0.0105236300000000, 0.0000000000000000, -0.0287540200000000 ] - [ -0.0037727400000000, 0.0009330800000000, -0.0001424600000000 ] - [ -0.0037727400000000, -0.0009330800000000, -0.0001424600000000 ] - [ 0.0057785200000000, 0.0000072200000000, -0.0004261500000000 ] - [ 0.0057785200000000, -0.0000072200000000, -0.0004261500000000 ] - [ 0.0038843900000000, 0.0000000000000000, -0.0004244500000000 ] - [ 0.0054493500000000, 0.0000000000000000, -0.0011133300000000 ] - [ 0.0023958300000000, 0.0007762200000000, -0.0009686100000000 ] - [ 0.0023958300000000, -0.0007762200000000, -0.0009686100000000 ] - [ 0.0023676200000000, -0.0050322600000000, 0.0002296800000000 ] - [ 0.0023676200000000, 0.0050322600000000, 0.0002296800000000 ] - [ 0.0010990900000000, 0.0000000000000000, 0.0004357100000000 ] - [ 0.0048053200000000, 0.0000000000000000, 0.0015762600000000 ] - [ 0.0009117800000000, 0.0010544700000000, 0.0001920600000000 ] - [ 0.0009117800000000, -0.0010544700000000, 0.0001920600000000 ] - [ 0.0008664900000000, -0.0040748300000000, 0.0007614800000000 ] - [ 0.0008664900000000, 0.0040748300000000, 0.0007614800000000 ] - [ -0.0000055400000000, 0.0000000000000000, 0.0002386800000000 ] - [ 0.0048684700000000, 0.0000000000000000, 0.0008643200000000 ] - [ 0.0018698400000000, 0.0012052000000000, -0.0000723400000000 ] - [ 0.0018698400000000, -0.0012052000000000, -0.0000723400000000 ] - [ 0.0012789500000000, -0.0028473100000000, 0.0008975000000000 ] - [ 0.0012789500000000, 0.0028473100000000, 0.0008975000000000 ] - [ 0.0001291800000000, 0.0000000000000000, 0.0007911900000000 ]- atom: 16 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0531493700000000, -0.0065867300000000, -0.0092422900000000 ] - [ -0.0533935800000000, -0.0065088100000000, 0.0095298400000000 ] - [ 0.0001562300000000, 0.0152888000000000, 0.0000860900000000 ] - [ -0.0000631100000000, -0.0081975300000000, 0.0000609000000000 ] - [ -0.0055132700000000, 0.0034911800000000, -0.0099413300000000 ] - [ 0.0051658700000000, 0.0035225700000000, 0.0096103600000000 ] - [ 0.0021678100000000, -0.0031487100000000, -0.0053201300000000 ] - [ -0.0000988900000000, -0.0031719400000000, 0.0054803900000000 ] - [ 0.0010230100000000, 0.0060879600000000, 0.0000468000000000 ] - [ -0.0005042300000000, -0.0142650300000000, -0.0002262000000000 ] - [ -0.0077099400000000, 0.0057833800000000, 0.0049574700000000 ] - [ 0.0063868600000000, 0.0057875600000000, -0.0053337100000000 ] - [ 0.0007956300000000, -0.0035920600000000, 0.0086486000000000 ] - [ -0.0036514200000000, -0.0036341000000000, -0.0089767400000000 ] - [ -0.0014382100000000, 0.0070908900000000, -0.0001410100000000 ] - [ 0.0013629100000000, -0.1785858700000000, 0.0003588200000000 ] - [ 0.0051329200000000, 0.0630680500000000, -0.0011866600000000 ] - [ -0.0058028400000000, 0.0625288900000000, 0.0023406200000000 ] - [ 0.0001211300000000, -0.0014137100000000, 0.0000871000000000 ] - [ 0.0021344400000000, 0.0006903100000000, 0.0002334900000000 ] - [ -0.0017677600000000, 0.0007129200000000, -0.0000463300000000 ] - [ 0.0000934300000000, -0.0006259000000000, -0.0000760200000000 ] - [ -0.0004391400000000, -0.0006519500000000, -0.0001800600000000 ] - [ -0.0001655200000000, 0.0012772600000000, -0.0001267300000000 ] - [ 0.0010111400000000, -0.0019540600000000, -0.0000037700000000 ] - [ 0.0031741700000000, 0.0009308900000000, 0.0013045700000000 ] - [ -0.0010843200000000, 0.0009586700000000, -0.0012206900000000 ] - [ -0.0002276200000000, -0.0006116400000000, -0.0000635700000000 ] - [ -0.0010757100000000, -0.0006342900000000, -0.0003925200000000 ] - [ -0.0006468300000000, 0.0012478300000000, -0.0002285800000000 ] - [ -0.0014920800000000, -0.0020885300000000, -0.0001088000000000 ] - [ 0.0018454800000000, 0.0010146400000000, -0.0001315900000000 ] - [ -0.0046612500000000, 0.0010533400000000, -0.0001195300000000 ] - [ 0.0013372400000000, -0.0006823500000000, 0.0004650800000000 ] - [ -0.0020929200000000, -0.0007002700000000, 0.0006836000000000 ] - [ -0.0003714400000000, 0.0013888500000000, 0.0005757900000000 ] - [ 0.0003414800000000, -0.0006422200000000, 0.0003463900000000 ] - [ 0.0011811200000000, 0.0002614400000000, 0.0008601800000000 ] - [ -0.0005138800000000, 0.0002650700000000, -0.0001877500000000 ] - [ 0.0008560500000000, -0.0000429500000000, 0.0006089500000000 ] - [ -0.0008533900000000, -0.0000431600000000, -0.0002835100000000 ] - [ 0.0000029100000000, 0.0000770900000000, 0.0001626700000000 ] - [ 0.0005376500000000, -0.0000889900000000, -0.0009101900000000 ] - [ -0.0004218500000000, -0.0000893800000000, 0.0004683300000000 ] - [ 0.0000585300000000, 0.0001623100000000, -0.0002199900000000 ] - [ 0.0014811500000000, -0.0001136300000000, 0.0009229200000000 ] - [ -0.0017295800000000, -0.0001138000000000, -0.0012949700000000 ] - [ -0.0001205800000000, 0.0002302100000000, -0.0001831200000000 ] - [ 0.0012281600000000, -0.0000467100000000, 0.0010074100000000 ] - [ -0.0005997000000000, -0.0000473900000000, -0.0003635200000000 ] - [ 0.0003154500000000, 0.0001128600000000, 0.0003225200000000 ] - [ 0.0000171000000000, -0.0008223900000000, 0.0001563400000000 ] - [ 0.0020876800000000, 0.0001844500000000, 0.0018795100000000 ] - [ -0.0020401200000000, 0.0001877900000000, -0.0015226300000000 ] - [ -0.0000058000000000, -0.0021340800000000, -0.0000468100000000 ] - [ 0.0015880400000000, 0.0005489500000000, -0.0043472900000000 ] - [ -0.0014518900000000, 0.0005553900000000, 0.0038710100000000 ] - [ -0.0002628400000000, -0.0030654200000000, -0.0002467600000000 ] - [ 0.0032992900000000, 0.0005265700000000, 0.0024498900000000 ] - [ -0.0034927600000000, 0.0005337900000000, -0.0027882000000000 ] - [ -0.0068194200000000, 0.0006643500000000, -0.0134383100000000 ] - [ 0.0063680100000000, 0.0006748000000000, 0.0137081600000000 ] - [ -0.0002445600000000, -0.0016326300000000, 0.0001165300000000 ] - [ 0.0000020600000000, 0.0090438000000000, -0.0002913200000000 ] - [ 0.0036544800000000, -0.0065272400000000, 0.0139182000000000 ] - [ -0.0036385600000000, -0.0064627800000000, -0.0149224900000000 ] - [ -0.0077276700000000, 0.0010117000000000, 0.0071451300000000 ] - [ 0.0079425000000000, 0.0010021500000000, -0.0072533900000000 ] - [ 0.0000820100000000, -0.0016511400000000, -0.0000160300000000 ] - [ 0.0001785600000000, 0.0014740400000000, -0.0001363800000000 ] - [ -0.0002494800000000, -0.0006395500000000, -0.0006535700000000 ] - [ 0.0005948100000000, -0.0006468400000000, 0.0004565700000000 ] - [ -0.0012445800000000, 0.0004323400000000, 0.0001519100000000 ] - [ 0.0014848200000000, 0.0004364000000000, 0.0002972200000000 ] - [ 0.0001195500000000, -0.0008363200000000, 0.0002265100000000 ] - [ -0.0002771900000000, 0.0116688500000000, -0.0003427500000000 ] - [ 0.0026685800000000, -0.0052469500000000, -0.0091652900000000 ] - [ -0.0029485300000000, -0.0051964500000000, 0.0088605800000000 ] - [ -0.0026374100000000, 0.0002245100000000, -0.0000295200000000 ] - [ 0.0014361700000000, 0.0002273600000000, 0.0003204000000000 ] - [ -0.0006010100000000, -0.0004462200000000, 0.0001433600000000 ] - [ -0.0000909600000000, 0.0189028100000000, -0.0000607800000000 ] - [ -0.0070347100000000, -0.0033336400000000, 0.0014878600000000 ] - [ 0.0071641800000000, -0.0033163600000000, -0.0015413000000000 ] - [ -0.0080827600000000, 0.0321783200000000, 0.0013416800000000 ] - [ 0.0088473000000000, 0.0371134500000000, -0.0030917800000000 ] - [ 0.0009752900000000, -0.0278736200000000, -0.0009247000000000 ] - [ 0.0005190200000000, 0.0075922000000000, 0.0006183900000000 ] - [ 0.0026236800000000, -0.0038300400000000, 0.0010427400000000 ] - [ -0.0015174400000000, -0.0038444000000000, 0.0001885800000000 ] - [ -0.0013888100000000, 0.0036403700000000, 0.0044959600000000 ] - [ 0.0020316700000000, 0.0037216200000000, -0.0044519300000000 ] - [ 0.0003315000000000, -0.0083156900000000, 0.0000427900000000 ] - [ -0.0008014300000000, 0.0067153600000000, -0.0000745000000000 ] - [ 0.0010075700000000, -0.0032149000000000, 0.0004509000000000 ] - [ -0.0025697200000000, -0.0032234800000000, -0.0005756500000000 ] - [ 0.0018260900000000, 0.0036281700000000, -0.0004070700000000 ] - [ 0.0014264900000000, 0.0037127100000000, 0.0000823600000000 ] - [ 0.0016383500000000, -0.0070057500000000, -0.0001592600000000 ] - [ -0.0008694300000000, 0.0321779300000000, 0.0003862500000000 ] - [ 0.0044788200000000, -0.0122208900000000, -0.0013851300000000 ] - [ -0.0065470600000000, -0.0121916100000000, 0.0023638500000000 ] - [ -0.0002328500000000, 0.0003981100000000, 0.0001034700000000 ] - [ -0.0009620500000000, -0.0001882200000000, -0.0002362900000000 ] - [ 0.0004483900000000, -0.0001952700000000, 0.0004141700000000 ] - [ -0.0002196600000000, 0.0001293900000000, -0.0007422400000000 ] - [ 0.0002368500000000, 0.0001340900000000, -0.0003425300000000 ] - [ 0.0000069000000000, -0.0002623600000000, -0.0005444500000000 ] - [ 0.0001518900000000, 0.0007724500000000, 0.0000477900000000 ] - [ -0.0025291400000000, -0.0003521700000000, -0.0016704200000000 ] - [ 0.0026476600000000, -0.0003592700000000, 0.0016392900000000 ] - [ -0.0004024900000000, 0.0001227500000000, -0.0004977600000000 ] - [ 0.0007795100000000, 0.0001267400000000, 0.0003243100000000 ] - [ 0.0001874400000000, -0.0002510000000000, -0.0000851100000000 ] - [ 0.0001117100000000, 0.0006646000000000, 0.0002268300000000 ] - [ -0.0021101200000000, -0.0002711200000000, -0.0008547400000000 ] - [ 0.0023027400000000, -0.0002770800000000, 0.0012909400000000 ] - [ -0.0008137500000000, 0.0001318300000000, -0.0003157800000000 ] - [ 0.0005510800000000, 0.0001356300000000, 0.0000800900000000 ] - [ -0.0001314300000000, -0.0002653500000000, -0.0001181500000000 ] - [ -0.0005446000000000, 0.0008206200000000, 0.0000318100000000 ] - [ -0.0036834900000000, -0.0004339000000000, 0.0023071500000000 ] - [ 0.0024250100000000, -0.0004428900000000, -0.0020138200000000 ] - [ -0.0020903200000000, 0.0001490400000000, -0.0001420900000000 ] - [ 0.0022952400000000, 0.0001509500000000, 0.0000853600000000 ] - [ 0.0000966000000000, -0.0003032000000000, -0.0000295800000000 ] - [ 0.0009731500000000, 0.0013979700000000, -0.0009253600000000 ] - [ 0.0006079100000000, -0.0006937700000000, -0.0009120300000000 ] - [ 0.0013141900000000, -0.0007051900000000, -0.0009383400000000 ] - [ 0.0007109700000000, 0.0011623600000000, 0.0006284700000000 ] - [ 0.0003994800000000, 0.0012168300000000, 0.0005939000000000 ] - [ 0.0005479400000000, -0.0023684900000000, 0.0006118400000000 ] - [ 0.0003409800000000, 0.0009878400000000, 0.0000537300000000 ] - [ -0.0002759800000000, -0.0004905200000000, -0.0001174800000000 ] - [ 0.0009248500000000, -0.0005004000000000, 0.0002135000000000 ] - [ -0.0007122500000000, 0.0009145600000000, -0.0000179300000000 ] - [ -0.0008481200000000, 0.0009547300000000, -0.0000951900000000 ] - [ -0.0007830900000000, -0.0018679200000000, -0.0000581600000000 ] - [ 0.0016490700000000, 0.0009056400000000, -0.0001582000000000 ] - [ 0.0010080300000000, -0.0004473900000000, -0.0003415100000000 ] - [ 0.0022589600000000, -0.0004587300000000, 0.0000180900000000 ] - [ -0.0011546600000000, 0.0006360300000000, 0.0004558700000000 ] - [ -0.0009145100000000, 0.0006592200000000, 0.0005421800000000 ] - [ -0.0010385700000000, -0.0012901900000000, 0.0004989400000000 ]- atom: 16 displacement: [ -0.0020604768976038, 0.0000000000000000, 0.0097854195083523 ] forces: - [ -0.0088444800000000, -0.0172656600000000, -0.0132205900000000 ] - [ -0.0088444800000000, 0.0172656600000000, -0.0132205900000000 ] - [ -0.0016256600000000, 0.0000000000000000, -0.0022512300000000 ] - [ 0.0189395300000000, 0.0000000000000000, 0.0857582700000000 ] - [ -0.0028167200000000, -0.0063993800000000, 0.0004849800000000 ] - [ -0.0028167200000000, 0.0063993800000000, 0.0004849800000000 ] - [ -0.0043936900000000, -0.0009901600000000, 0.0097811000000000 ] - [ -0.0043936900000000, 0.0009901600000000, 0.0097811000000000 ] - [ -0.0004813800000000, 0.0000000000000000, 0.0015648200000000 ] - [ -0.0700380200000000, 0.0000000000000000, 0.0669417400000000 ] - [ -0.0006822400000000, 0.0062276600000000, 0.0036271300000000 ] - [ -0.0006822400000000, -0.0062276600000000, 0.0036271300000000 ] - [ 0.0035482100000000, 0.0068626900000000, -0.0036289300000000 ] - [ 0.0035482100000000, -0.0068626900000000, -0.0036289300000000 ] - [ -0.0015408600000000, 0.0000000000000000, -0.0011541800000000 ] - [ 0.0855590300000000, 0.0000000000000000, -0.1765021100000000 ] - [ 0.0017765500000000, 0.0027485000000000, -0.0056215100000000 ] - [ 0.0017765500000000, -0.0027485000000000, -0.0056215100000000 ] - [ -0.0034196500000000, 0.0000000000000000, -0.0008112500000000 ] - [ 0.0001982000000000, -0.0006055800000000, -0.0002823600000000 ] - [ 0.0001982000000000, 0.0006055800000000, -0.0002823600000000 ] - [ -0.0005014200000000, 0.0002702700000000, 0.0002158200000000 ] - [ -0.0005014200000000, -0.0002702700000000, 0.0002158200000000 ] - [ -0.0003422200000000, 0.0000000000000000, -0.0000289200000000 ] - [ 0.0077437200000000, 0.0000000000000000, -0.0063010800000000 ] - [ 0.0021088400000000, 0.0001056900000000, -0.0002515600000000 ] - [ 0.0021088400000000, -0.0001056900000000, -0.0002515600000000 ] - [ -0.0007054600000000, 0.0003814200000000, -0.0003686200000000 ] - [ -0.0007054600000000, -0.0003814200000000, -0.0003686200000000 ] - [ -0.0007880400000000, 0.0000000000000000, -0.0002372600000000 ] - [ -0.0093628700000000, 0.0000000000000000, 0.0076333300000000 ] - [ -0.0015326000000000, -0.0008901200000000, 0.0009254800000000 ] - [ -0.0015326000000000, 0.0008901200000000, 0.0009254800000000 ] - [ -0.0013465200000000, 0.0004612400000000, 0.0004001300000000 ] - [ -0.0013465200000000, -0.0004612400000000, 0.0004001300000000 ] - [ -0.0009706000000000, 0.0000000000000000, 0.0004582900000000 ] - [ 0.0021468700000000, 0.0000000000000000, 0.0053172300000000 ] - [ 0.0010042900000000, -0.0002778700000000, 0.0011965400000000 ] - [ 0.0010042900000000, 0.0002778700000000, 0.0011965400000000 ] - [ -0.0002997500000000, -0.0000213200000000, -0.0000566500000000 ] - [ -0.0002997500000000, 0.0000213200000000, -0.0000566500000000 ] - [ -0.0002730200000000, 0.0000000000000000, -0.0000299900000000 ] - [ 0.0001404400000000, 0.0000130800000000, -0.0007895700000000 ] - [ 0.0001404400000000, -0.0000130800000000, -0.0007895700000000 ] - [ 0.0000311300000000, 0.0000000000000000, -0.0002884400000000 ] - [ -0.0010446700000000, -0.0000526200000000, -0.0010217300000000 ] - [ -0.0010446700000000, 0.0000526200000000, -0.0010217300000000 ] - [ -0.0005848700000000, 0.0000000000000000, -0.0005590200000000 ] - [ 0.0004738500000000, 0.0000531300000000, 0.0006322500000000 ] - [ 0.0004738500000000, -0.0000531300000000, 0.0006322500000000 ] - [ 0.0002228100000000, 0.0000000000000000, 0.0002959600000000 ] - [ 0.0162528500000000, 0.0000000000000000, 0.0147028000000000 ] - [ 0.0009041700000000, 0.0004371500000000, 0.0009020700000000 ] - [ 0.0009041700000000, -0.0004371500000000, 0.0009020700000000 ] - [ -0.0107207900000000, 0.0000000000000000, 0.0170188800000000 ] - [ 0.0000756100000000, -0.0006808500000000, -0.0007518200000000 ] - [ 0.0000756100000000, 0.0006808500000000, -0.0007518200000000 ] - [ -0.0114169900000000, 0.0000000000000000, -0.0116037800000000 ] - [ 0.0001972000000000, -0.0002359700000000, -0.0001667800000000 ] - [ 0.0001972000000000, 0.0002359700000000, -0.0001667800000000 ] - [ 0.0014468700000000, -0.0005451400000000, 0.0096132300000000 ] - [ 0.0014468700000000, 0.0005451400000000, 0.0096132300000000 ] - [ 0.0005904800000000, 0.0000000000000000, 0.0027699000000000 ] - [ -0.0068718900000000, 0.0000000000000000, 0.0138605000000000 ] - [ 0.0004224000000000, 0.0006249700000000, 0.0032150700000000 ] - [ 0.0004224000000000, -0.0006249700000000, 0.0032150700000000 ] - [ 0.0031656600000000, 0.0010945700000000, -0.0025528100000000 ] - [ 0.0031656600000000, -0.0010945700000000, -0.0025528100000000 ] - [ 0.0008435000000000, 0.0000000000000000, -0.0001937800000000 ] - [ 0.0163751000000000, 0.0000000000000000, -0.0381057600000000 ] - [ 0.0013818900000000, 0.0000978000000000, -0.0041261100000000 ] - [ 0.0013818900000000, -0.0000978000000000, -0.0041261100000000 ] - [ 0.0016830400000000, -0.0002636000000000, -0.0022535500000000 ] - [ 0.0016830400000000, 0.0002636000000000, -0.0022535500000000 ] - [ 0.0008632000000000, 0.0000000000000000, -0.0003151500000000 ] - [ 0.0337334700000000, 0.0000000000000000, 0.0061881900000000 ] - [ -0.0004790900000000, -0.0014249600000000, 0.0004994400000000 ] - [ -0.0004790900000000, 0.0014249600000000, 0.0004994400000000 ] - [ -0.0015275600000000, -0.0003057400000000, 0.0003343600000000 ] - [ -0.0015275600000000, 0.0003057400000000, 0.0003343600000000 ] - [ -0.0005103800000000, 0.0000000000000000, 0.0001978400000000 ] - [ -0.0561503400000000, 0.0000000000000000, 0.0242712900000000 ] - [ -0.0018751200000000, 0.0008658600000000, 0.0011514600000000 ] - [ -0.0018751200000000, -0.0008658600000000, 0.0011514600000000 ] - [ -0.0066773000000000, -0.0015426700000000, 0.0101625300000000 ] - [ -0.0066773000000000, 0.0015426700000000, 0.0101625300000000 ] - [ 0.0015125300000000, 0.0000000000000000, 0.0001284200000000 ] - [ -0.0102876600000000, 0.0000000000000000, 0.0007834500000000 ] - [ 0.0002422500000000, 0.0023297100000000, 0.0009425700000000 ] - [ 0.0002422500000000, -0.0023297100000000, 0.0009425700000000 ] - [ 0.0067935300000000, 0.0115256100000000, -0.0016246900000000 ] - [ 0.0067935300000000, -0.0115256100000000, -0.0016246900000000 ] - [ 0.0015459600000000, 0.0000000000000000, 0.0000235500000000 ] - [ 0.0058703900000000, 0.0000000000000000, -0.0107766500000000 ] - [ 0.0002131100000000, -0.0006461400000000, -0.0018818600000000 ] - [ 0.0002131100000000, 0.0006461400000000, -0.0018818600000000 ] - [ -0.0021452700000000, -0.0128614500000000, -0.0052380400000000 ] - [ -0.0021452700000000, 0.0128614500000000, -0.0052380400000000 ] - [ 0.0013268600000000, 0.0000000000000000, -0.0012188200000000 ] - [ 0.0055007900000000, 0.0000000000000000, 0.0142470500000000 ] - [ -0.0019944900000000, -0.0024857500000000, 0.0010013900000000 ] - [ -0.0019944900000000, 0.0024857500000000, 0.0010013900000000 ] - [ 0.0014682300000000, 0.0000000000000000, -0.0002038300000000 ] - [ -0.0001403400000000, 0.0002018500000000, 0.0001000800000000 ] - [ -0.0001403400000000, -0.0002018500000000, 0.0001000800000000 ] - [ 0.0001765200000000, -0.0000911900000000, -0.0003522800000000 ] - [ 0.0001765200000000, 0.0000911900000000, -0.0003522800000000 ] - [ 0.0001051600000000, 0.0000000000000000, -0.0004220900000000 ] - [ 0.0070198800000000, 0.0000000000000000, 0.0091773700000000 ] - [ -0.0003133600000000, 0.0001236900000000, 0.0003619700000000 ] - [ -0.0003133600000000, -0.0001236900000000, 0.0003619700000000 ] - [ 0.0001138100000000, -0.0000661300000000, -0.0003519000000000 ] - [ 0.0001138100000000, 0.0000661300000000, -0.0003519000000000 ] - [ 0.0002827300000000, 0.0000000000000000, -0.0001424700000000 ] - [ -0.0140569800000000, 0.0000000000000000, -0.0090387300000000 ] - [ -0.0010354000000000, -0.0002679900000000, -0.0005286000000000 ] - [ -0.0010354000000000, 0.0002679900000000, -0.0005286000000000 ] - [ 0.0001806700000000, -0.0000561700000000, 0.0000342500000000 ] - [ 0.0001806700000000, 0.0000561700000000, 0.0000342500000000 ] - [ 0.0001468200000000, 0.0000000000000000, 0.0000021600000000 ] - [ 0.0075761400000000, 0.0000000000000000, -0.0116111000000000 ] - [ -0.0009096600000000, 0.0005904000000000, -0.0001431400000000 ] - [ -0.0009096600000000, -0.0005904000000000, -0.0001431400000000 ] - [ 0.0010373200000000, -0.0000026700000000, 0.0006071700000000 ] - [ 0.0010373200000000, 0.0000026700000000, 0.0006071700000000 ] - [ 0.0006872100000000, 0.0000000000000000, 0.0001609400000000 ] - [ 0.0018297000000000, 0.0000000000000000, -0.0009532200000000 ] - [ 0.0010951700000000, 0.0002191100000000, -0.0009133700000000 ] - [ 0.0010951700000000, -0.0002191100000000, -0.0009133700000000 ] - [ 0.0011185900000000, -0.0012645200000000, -0.0001029300000000 ] - [ 0.0011185900000000, 0.0012645200000000, -0.0001029300000000 ] - [ 0.0006768900000000, 0.0000000000000000, 0.0004104400000000 ] - [ 0.0005388500000000, 0.0000000000000000, 0.0006817000000000 ] - [ 0.0001738100000000, 0.0001660200000000, 0.0001373300000000 ] - [ 0.0001738100000000, -0.0001660200000000, 0.0001373300000000 ] - [ -0.0013056800000000, -0.0000294400000000, -0.0000668500000000 ] - [ -0.0013056800000000, 0.0000294400000000, -0.0000668500000000 ] - [ -0.0009294300000000, 0.0000000000000000, -0.0001162500000000 ] - [ 0.0018138100000000, 0.0000000000000000, -0.0010703000000000 ] - [ 0.0016303100000000, 0.0002131800000000, -0.0003730100000000 ] - [ 0.0016303100000000, -0.0002131800000000, -0.0003730100000000 ] - [ -0.0006834700000000, -0.0006963600000000, 0.0007103000000000 ] - [ -0.0006834700000000, 0.0006963600000000, 0.0007103000000000 ] - [ -0.0009280400000000, 0.0000000000000000, 0.0006065400000000 ]- atom: 16 displacement: [ 0.0020604768976038, 0.0000000000000000, -0.0097854195083523 ] forces: - [ 0.0094645200000000, 0.0171525400000000, 0.0132890300000000 ] - [ 0.0094645200000000, -0.0171525400000000, 0.0132890300000000 ] - [ 0.0020334300000000, 0.0000000000000000, 0.0024276500000000 ] - [ -0.0195915800000000, 0.0000000000000000, -0.0865981600000000 ] - [ 0.0025252800000000, 0.0064531600000000, -0.0006698000000000 ] - [ 0.0025252800000000, -0.0064531600000000, -0.0006698000000000 ] - [ 0.0064180100000000, 0.0009171000000000, -0.0097237500000000 ] - [ 0.0064180100000000, -0.0009171000000000, -0.0097237500000000 ] - [ 0.0025503400000000, 0.0000000000000000, -0.0014923300000000 ] - [ 0.0678291000000000, 0.0000000000000000, -0.0665343700000000 ] - [ -0.0005479300000000, -0.0061541800000000, -0.0041021700000000 ] - [ -0.0005479300000000, 0.0061541800000000, -0.0041021700000000 ] - [ -0.0064216800000000, -0.0069078900000000, 0.0034091700000000 ] - [ -0.0064216800000000, 0.0069078900000000, 0.0034091700000000 ] - [ -0.0012993400000000, 0.0000000000000000, 0.0009081900000000 ] - [ -0.0862548500000000, 0.0000000000000000, 0.1791956200000000 ] - [ -0.0024948100000000, -0.0029548100000000, 0.0067799600000000 ] - [ -0.0024948100000000, 0.0029548100000000, 0.0067799600000000 ] - [ 0.0037419700000000, 0.0000000000000000, 0.0010021300000000 ] - [ 0.0001601800000000, 0.0006016600000000, 0.0004738100000000 ] - [ 0.0001601800000000, -0.0006016600000000, 0.0004738100000000 ] - [ 0.0001809000000000, -0.0002693400000000, -0.0004641200000000 ] - [ 0.0001809000000000, 0.0002693400000000, -0.0004641200000000 ] - [ 0.0000211100000000, 0.0000000000000000, -0.0002214900000000 ] - [ -0.0056009100000000, 0.0000000000000000, 0.0063204200000000 ] - [ -0.0000357600000000, -0.0001038500000000, 0.0003214500000000 ] - [ -0.0000357600000000, 0.0001038500000000, 0.0003214500000000 ] - [ -0.0005814700000000, -0.0003771900000000, -0.0000889300000000 ] - [ -0.0005814700000000, 0.0003771900000000, -0.0000889300000000 ] - [ -0.0004946600000000, 0.0000000000000000, -0.0002170700000000 ] - [ 0.0065047600000000, 0.0000000000000000, -0.0078278300000000 ] - [ -0.0013101800000000, 0.0008916700000000, -0.0011754200000000 ] - [ -0.0013101800000000, -0.0008916700000000, -0.0011754200000000 ] - [ 0.0006225400000000, -0.0004589300000000, 0.0007502600000000 ] - [ 0.0006225400000000, 0.0004589300000000, 0.0007502600000000 ] - [ 0.0002540400000000, 0.0000000000000000, 0.0006945000000000 ] - [ -0.0014065600000000, 0.0000000000000000, -0.0046056500000000 ] - [ -0.0003538300000000, 0.0002814900000000, -0.0005353100000000 ] - [ -0.0003538300000000, -0.0002814900000000, -0.0005353100000000 ] - [ 0.0003108400000000, 0.0000216800000000, 0.0003836900000000 ] - [ 0.0003108400000000, -0.0000216800000000, 0.0003836900000000 ] - [ 0.0002913900000000, 0.0000000000000000, 0.0003637000000000 ] - [ -0.0000187000000000, -0.0000134100000000, 0.0003438300000000 ] - [ -0.0000187000000000, 0.0000134100000000, 0.0003438300000000 ] - [ 0.0000910600000000, 0.0000000000000000, -0.0001595600000000 ] - [ 0.0008124900000000, 0.0000520600000000, 0.0006613200000000 ] - [ 0.0008124900000000, -0.0000520600000000, 0.0006613200000000 ] - [ 0.0003596900000000, 0.0000000000000000, 0.0002038000000000 ] - [ 0.0001673900000000, -0.0000532400000000, 0.0000208100000000 ] - [ 0.0001673900000000, 0.0000532400000000, 0.0000208100000000 ] - [ 0.0004206200000000, 0.0000000000000000, 0.0003590800000000 ] - [ -0.0161012600000000, 0.0000000000000000, -0.0141879400000000 ] - [ -0.0008876300000000, -0.0004310100000000, -0.0005707800000000 ] - [ -0.0008876300000000, 0.0004310100000000, -0.0005707800000000 ] - [ 0.0108487900000000, 0.0000000000000000, -0.0172952300000000 ] - [ 0.0000421100000000, 0.0006809200000000, 0.0003216100000000 ] - [ 0.0000421100000000, -0.0006809200000000, 0.0003216100000000 ] - [ 0.0110830500000000, 0.0000000000000000, 0.0112036100000000 ] - [ -0.0004318000000000, 0.0002318800000000, -0.0001977100000000 ] - [ -0.0004318000000000, -0.0002318800000000, -0.0001977100000000 ] - [ -0.0019801400000000, 0.0005625600000000, -0.0094881100000000 ] - [ -0.0019801400000000, -0.0005625600000000, -0.0094881100000000 ] - [ -0.0011043400000000, 0.0000000000000000, -0.0025888700000000 ] - [ 0.0054941600000000, 0.0000000000000000, -0.0196747100000000 ] - [ -0.0004403100000000, -0.0006035100000000, -0.0044288000000000 ] - [ -0.0004403100000000, 0.0006035100000000, -0.0044288000000000 ] - [ -0.0030483200000000, -0.0010811900000000, 0.0025833200000000 ] - [ -0.0030483200000000, 0.0010811900000000, 0.0025833200000000 ] - [ -0.0007097900000000, 0.0000000000000000, 0.0001822300000000 ] - [ -0.0159783400000000, 0.0000000000000000, 0.0378494700000000 ] - [ -0.0010212900000000, -0.0001105900000000, 0.0039441000000000 ] - [ -0.0010212900000000, 0.0001105900000000, 0.0039441000000000 ] - [ -0.0014400200000000, 0.0002714000000000, 0.0027018800000000 ] - [ -0.0014400200000000, -0.0002714000000000, 0.0027018800000000 ] - [ -0.0006421500000000, 0.0000000000000000, 0.0007647400000000 ] - [ -0.0333709700000000, 0.0000000000000000, -0.0034241900000000 ] - [ 0.0001683500000000, 0.0014324700000000, -0.0006675800000000 ] - [ 0.0001683500000000, -0.0014324700000000, -0.0006675800000000 ] - [ 0.0003100900000000, 0.0003069800000000, -0.0000494300000000 ] - [ 0.0003100900000000, -0.0003069800000000, -0.0000494300000000 ] - [ -0.0007139800000000, 0.0000000000000000, 0.0000894200000000 ] - [ 0.0575368600000000, 0.0000000000000000, -0.0243252300000000 ] - [ 0.0020627400000000, -0.0008599800000000, -0.0012196300000000 ] - [ 0.0020627400000000, 0.0008599800000000, -0.0012196300000000 ] - [ 0.0086383600000000, 0.0017993300000000, -0.0120767900000000 ] - [ 0.0086383600000000, -0.0017993300000000, -0.0120767900000000 ] - [ 0.0003529600000000, 0.0000000000000000, -0.0019714700000000 ] - [ 0.0114289100000000, 0.0000000000000000, 0.0004550000000000 ] - [ 0.0008508200000000, -0.0023511600000000, 0.0002787400000000 ] - [ 0.0008508200000000, 0.0023511600000000, 0.0002787400000000 ] - [ -0.0061042700000000, -0.0114010000000000, 0.0017590300000000 ] - [ -0.0061042700000000, 0.0114010000000000, 0.0017590300000000 ] - [ -0.0008976200000000, 0.0000000000000000, 0.0000855700000000 ] - [ -0.0073392300000000, 0.0000000000000000, 0.0106145700000000 ] - [ -0.0017873700000000, 0.0006129300000000, 0.0017583100000000 ] - [ -0.0017873700000000, -0.0006129300000000, 0.0017583100000000 ] - [ 0.0054521300000000, 0.0129398500000000, 0.0049385100000000 ] - [ 0.0054521300000000, -0.0129398500000000, 0.0049385100000000 ] - [ 0.0019412500000000, 0.0000000000000000, 0.0008919400000000 ] - [ -0.0076352400000000, 0.0000000000000000, -0.0131717700000000 ] - [ -0.0001197200000000, 0.0024779200000000, 0.0000127800000000 ] - [ -0.0001197200000000, -0.0024779200000000, 0.0000127800000000 ] - [ -0.0019645000000000, 0.0000000000000000, 0.0003812400000000 ] - [ -0.0003694100000000, -0.0002009300000000, 0.0000737700000000 ] - [ -0.0003694100000000, 0.0002009300000000, 0.0000737700000000 ] - [ -0.0001686900000000, 0.0000900800000000, -0.0007469900000000 ] - [ -0.0001686900000000, -0.0000900800000000, -0.0007469900000000 ] - [ -0.0000959000000000, 0.0000000000000000, -0.0006713600000000 ] - [ -0.0068214700000000, 0.0000000000000000, -0.0091409700000000 ] - [ 0.0004582400000000, -0.0001224100000000, -0.0003728400000000 ] - [ 0.0004582400000000, 0.0001224100000000, -0.0003728400000000 ] - [ 0.0002487100000000, 0.0000656600000000, 0.0001775500000000 ] - [ 0.0002487100000000, -0.0000656600000000, 0.0001775500000000 ] - [ 0.0000829800000000, 0.0000000000000000, -0.0000347200000000 ] - [ 0.0141516900000000, 0.0000000000000000, 0.0094004500000000 ] - [ 0.0012549200000000, 0.0002635800000000, 0.0009813300000000 ] - [ 0.0012549200000000, -0.0002635800000000, 0.0009813300000000 ] - [ -0.0004546300000000, 0.0000552800000000, -0.0002680700000000 ] - [ -0.0004546300000000, -0.0000552800000000, -0.0002680700000000 ] - [ -0.0004248800000000, 0.0000000000000000, -0.0002397600000000 ] - [ -0.0087734700000000, 0.0000000000000000, 0.0117118800000000 ] - [ -0.0003139700000000, -0.0005925800000000, 0.0004167100000000 ] - [ -0.0003139700000000, 0.0005925800000000, 0.0004167100000000 ] - [ -0.0008600200000000, 0.0000022600000000, -0.0006642900000000 ] - [ -0.0008600200000000, -0.0000022600000000, -0.0006642900000000 ] - [ -0.0005188000000000, 0.0000000000000000, -0.0002187000000000 ] - [ 0.0000927000000000, 0.0000000000000000, -0.0008969100000000 ] - [ 0.0008232000000000, -0.0002179600000000, -0.0009365400000000 ] - [ 0.0008232000000000, 0.0002179600000000, -0.0009365400000000 ] - [ -0.0000228500000000, 0.0012612700000000, 0.0013232500000000 ] - [ -0.0000228500000000, -0.0012612700000000, 0.0013232500000000 ] - [ 0.0004189500000000, 0.0000000000000000, 0.0008140100000000 ] - [ 0.0001182900000000, 0.0000000000000000, -0.0005787000000000 ] - [ 0.0004780400000000, -0.0001663200000000, -0.0000391800000000 ] - [ 0.0004780400000000, 0.0001663200000000, -0.0000391800000000 ] - [ -0.0002662900000000, 0.0000272700000000, -0.0000473900000000 ] - [ -0.0002662900000000, -0.0000272700000000, -0.0000473900000000 ] - [ -0.0006377100000000, 0.0000000000000000, 0.0000005900000000 ] - [ 0.0014546300000000, 0.0000000000000000, 0.0007466000000000 ] - [ 0.0016401600000000, -0.0002158700000000, 0.0000517000000000 ] - [ 0.0016401600000000, 0.0002158700000000, 0.0000517000000000 ] - [ -0.0013952400000000, 0.0006955800000000, 0.0002874500000000 ] - [ -0.0013952400000000, -0.0006955800000000, 0.0002874500000000 ] - [ -0.0011525000000000, 0.0000000000000000, 0.0003910800000000 ]- atom: 37 displacement: [ 0.0099999983408567, 0.0000000000000000, 0.0000057604567923 ] forces: - [ 0.0005833300000000, 0.0017826100000000, 0.0014134500000000 ] - [ 0.0005833300000000, -0.0017826100000000, 0.0014134500000000 ] - [ 0.0004306600000000, 0.0000000000000000, 0.0004293000000000 ] - [ 0.0229475700000000, 0.0000000000000000, -0.0109491800000000 ] - [ -0.0009021600000000, -0.0019731300000000, -0.0009395200000000 ] - [ -0.0009021600000000, 0.0019731300000000, -0.0009395200000000 ] - [ 0.0039890700000000, 0.0028672800000000, 0.0010965700000000 ] - [ 0.0039890700000000, -0.0028672800000000, 0.0010965700000000 ] - [ 0.0022191700000000, 0.0000000000000000, 0.0004652800000000 ] - [ -0.0039810200000000, 0.0000000000000000, 0.0249125800000000 ] - [ -0.0024267500000000, -0.0023619800000000, -0.0003022000000000 ] - [ -0.0024267500000000, 0.0023619800000000, -0.0003022000000000 ] - [ 0.0017991100000000, 0.0017722900000000, -0.0003165800000000 ] - [ 0.0017991100000000, -0.0017722900000000, -0.0003165800000000 ] - [ 0.0004025400000000, 0.0000000000000000, -0.0001587400000000 ] - [ -0.0094267200000000, 0.0000000000000000, 0.0004701900000000 ] - [ -0.0032252400000000, -0.0008416400000000, 0.0006605500000000 ] - [ -0.0032252400000000, 0.0008416400000000, 0.0006605500000000 ] - [ 0.0038515400000000, 0.0000000000000000, 0.0062335500000000 ] - [ 0.0005343100000000, 0.0008401400000000, 0.0009173800000000 ] - [ 0.0005343100000000, -0.0008401400000000, 0.0009173800000000 ] - [ 0.0032471300000000, -0.0014566900000000, -0.0002250000000000 ] - [ 0.0032471300000000, 0.0014566900000000, -0.0002250000000000 ] - [ 0.0012528500000000, 0.0000000000000000, 0.0001249000000000 ] - [ 0.0034095500000000, 0.0000000000000000, -0.0012925500000000 ] - [ 0.0006078400000000, 0.0008600600000000, -0.0006303900000000 ] - [ 0.0006078400000000, -0.0008600600000000, -0.0006303900000000 ] - [ 0.0008504900000000, -0.0007266900000000, -0.0003002500000000 ] - [ 0.0008504900000000, 0.0007266900000000, -0.0003002500000000 ] - [ 0.0004531400000000, 0.0000000000000000, -0.0001424100000000 ] - [ 0.0345830300000000, 0.0000000000000000, -0.0019864000000000 ] - [ -0.0026353000000000, 0.0038419600000000, -0.0000625300000000 ] - [ -0.0026353000000000, -0.0038419600000000, -0.0000625300000000 ] - [ 0.0026316300000000, -0.0009065800000000, 0.0013589600000000 ] - [ 0.0026316300000000, 0.0009065800000000, 0.0013589600000000 ] - [ 0.0017414600000000, 0.0000000000000000, 0.0009174800000000 ] - [ -0.1315456300000000, 0.0000000000000000, -0.0657345500000000 ] - [ -0.0014532100000000, 0.0001394500000000, -0.0010373900000000 ] - [ -0.0014532100000000, -0.0001394500000000, -0.0010373900000000 ] - [ 0.0013962200000000, 0.0000046600000000, 0.0011776700000000 ] - [ 0.0013962200000000, -0.0000046600000000, 0.0011776700000000 ] - [ 0.0010084600000000, 0.0000000000000000, 0.0008834600000000 ] - [ 0.0005322800000000, 0.0000072000000000, -0.0012927700000000 ] - [ 0.0005322800000000, -0.0000072000000000, -0.0012927700000000 ] - [ 0.0004112900000000, 0.0000000000000000, -0.0010080800000000 ] - [ 0.0012935400000000, 0.0000167800000000, 0.0008303600000000 ] - [ 0.0012935400000000, -0.0000167800000000, 0.0008303600000000 ] - [ 0.0008645400000000, 0.0000000000000000, 0.0005140700000000 ] - [ 0.0017494100000000, 0.0000018200000000, 0.0014685000000000 ] - [ 0.0017494100000000, -0.0000018200000000, 0.0014685000000000 ] - [ 0.0013450800000000, 0.0000000000000000, 0.0011302000000000 ] - [ -0.0034171300000000, 0.0000000000000000, -0.0039473100000000 ] - [ -0.0012692400000000, 0.0000424300000000, -0.0007811000000000 ] - [ -0.0012692400000000, -0.0000424300000000, -0.0007811000000000 ] - [ -0.0179633100000000, 0.0000000000000000, 0.0090646000000000 ] - [ -0.0005174600000000, 0.0002369600000000, 0.0010865100000000 ] - [ -0.0005174600000000, -0.0002369600000000, 0.0010865100000000 ] - [ -0.0017999400000000, 0.0000000000000000, -0.0003137500000000 ] - [ -0.0011348300000000, 0.0000896700000000, -0.0008109800000000 ] - [ -0.0011348300000000, -0.0000896700000000, -0.0008109800000000 ] - [ -0.0008510800000000, -0.0003251000000000, -0.0004906300000000 ] - [ -0.0008510800000000, 0.0003251000000000, -0.0004906300000000 ] - [ -0.0005482500000000, 0.0000000000000000, -0.0001094800000000 ] - [ 0.0008686000000000, 0.0000000000000000, 0.0089103100000000 ] - [ 0.0006097100000000, 0.0002499100000000, 0.0003685000000000 ] - [ 0.0006097100000000, -0.0002499100000000, 0.0003685000000000 ] - [ -0.0010481900000000, -0.0003140000000000, -0.0014057800000000 ] - [ -0.0010481900000000, 0.0003140000000000, -0.0014057800000000 ] - [ -0.0006646200000000, 0.0000000000000000, -0.0006907300000000 ] - [ -0.0213698900000000, 0.0000000000000000, -0.0306802200000000 ] - [ 0.0014542200000000, 0.0004220800000000, 0.0007546700000000 ] - [ 0.0014542200000000, -0.0004220800000000, 0.0007546700000000 ] - [ -0.0019028300000000, -0.0002533800000000, -0.0002063900000000 ] - [ -0.0019028300000000, 0.0002533800000000, -0.0002063900000000 ] - [ -0.0011629900000000, 0.0000000000000000, -0.0001578700000000 ] - [ 0.0082500300000000, 0.0000000000000000, -0.0043427600000000 ] - [ 0.0015100300000000, 0.0001967300000000, -0.0000329300000000 ] - [ 0.0015100300000000, -0.0001967300000000, -0.0000329300000000 ] - [ -0.0030854200000000, -0.0001015100000000, 0.0002905000000000 ] - [ -0.0030854200000000, 0.0001015100000000, 0.0002905000000000 ] - [ -0.0023132700000000, 0.0000000000000000, 0.0002748300000000 ] - [ 0.0116376000000000, 0.0000000000000000, -0.0103850600000000 ] - [ 0.0025605100000000, -0.0001555200000000, -0.0006103900000000 ] - [ 0.0025605100000000, 0.0001555200000000, -0.0006103900000000 ] - [ 0.0017728300000000, -0.0011127400000000, -0.0009680600000000 ] - [ 0.0017728300000000, 0.0011127400000000, -0.0009680600000000 ] - [ 0.0013407200000000, 0.0000000000000000, -0.0009412200000000 ] - [ -0.0027610900000000, 0.0000000000000000, 0.0010160400000000 ] - [ 0.0001833100000000, 0.0010079500000000, 0.0006813100000000 ] - [ 0.0001833100000000, -0.0010079500000000, 0.0006813100000000 ] - [ -0.0007845400000000, -0.0043917000000000, -0.0012251800000000 ] - [ -0.0007845400000000, 0.0043917000000000, -0.0012251800000000 ] - [ 0.0000937600000000, 0.0000000000000000, -0.0000972500000000 ] - [ -0.0054799300000000, 0.0000000000000000, -0.0023711800000000 ] - [ -0.0007933500000000, 0.0013093300000000, -0.0000044700000000 ] - [ -0.0007933500000000, -0.0013093300000000, -0.0000044700000000 ] - [ -0.0001901800000000, -0.0029973400000000, -0.0001280400000000 ] - [ -0.0001901800000000, 0.0029973400000000, -0.0001280400000000 ] - [ 0.0012441600000000, 0.0000000000000000, -0.0001890900000000 ] - [ -0.0017841000000000, 0.0000000000000000, -0.0024879900000000 ] - [ -0.0006002900000000, 0.0009067100000000, 0.0002760000000000 ] - [ -0.0006002900000000, -0.0009067100000000, 0.0002760000000000 ] - [ -0.0062013700000000, 0.0000000000000000, -0.0085585300000000 ] - [ -0.0004238500000000, -0.0004041400000000, -0.0009130000000000 ] - [ -0.0004238500000000, 0.0004041400000000, -0.0009130000000000 ] - [ -0.0010308800000000, 0.0002403200000000, -0.0020135800000000 ] - [ -0.0010308800000000, -0.0002403200000000, -0.0020135800000000 ] - [ -0.0005485300000000, 0.0000000000000000, -0.0013157900000000 ] - [ 0.0009329600000000, 0.0000000000000000, -0.0002314800000000 ] - [ 0.0007688300000000, -0.0001398000000000, 0.0004261900000000 ] - [ 0.0007688300000000, 0.0001398000000000, 0.0004261900000000 ] - [ -0.0015681600000000, 0.0001631700000000, -0.0000241500000000 ] - [ -0.0015681600000000, -0.0001631700000000, -0.0000241500000000 ] - [ -0.0008490400000000, 0.0000000000000000, -0.0003218800000000 ] - [ -0.0019663000000000, 0.0000000000000000, 0.0061350400000000 ] - [ 0.0011630700000000, -0.0003182500000000, 0.0012262800000000 ] - [ 0.0011630700000000, 0.0003182500000000, 0.0012262800000000 ] - [ -0.0017339700000000, 0.0001210200000000, -0.0005932400000000 ] - [ -0.0017339700000000, -0.0001210200000000, -0.0005932400000000 ] - [ -0.0012760700000000, 0.0000000000000000, -0.0004547600000000 ] - [ 0.1286836300000000, 0.0000000000000000, 0.0879804000000000 ] - [ 0.0015365600000000, -0.0006402200000000, 0.0000204500000000 ] - [ 0.0015365600000000, 0.0006402200000000, 0.0000204500000000 ] - [ -0.0024946000000000, 0.0000233300000000, 0.0001321400000000 ] - [ -0.0024946000000000, -0.0000233300000000, 0.0001321400000000 ] - [ -0.0017645200000000, 0.0000000000000000, 0.0001305700000000 ] - [ -0.0009589000000000, 0.0000000000000000, -0.0010385100000000 ] - [ 0.0003853500000000, -0.0004087200000000, -0.0009872200000000 ] - [ 0.0003853500000000, 0.0004087200000000, -0.0009872200000000 ] - [ -0.0023069900000000, 0.0058430700000000, 0.0011196000000000 ] - [ -0.0023069900000000, -0.0058430700000000, 0.0011196000000000 ] - [ 0.0000404500000000, 0.0000000000000000, 0.0007767400000000 ] - [ -0.0007680800000000, 0.0000000000000000, -0.0003965400000000 ] - [ 0.0001576000000000, -0.0004129200000000, -0.0000138900000000 ] - [ 0.0001576000000000, 0.0004129200000000, -0.0000138900000000 ] - [ -0.0012884300000000, 0.0011838100000000, 0.0001878200000000 ] - [ -0.0012884300000000, -0.0011838100000000, 0.0001878200000000 ] - [ -0.0010520100000000, 0.0000000000000000, 0.0000029500000000 ] - [ -0.0013364700000000, 0.0000000000000000, 0.0007645600000000 ] - [ 0.0013471000000000, -0.0008837100000000, 0.0001441600000000 ] - [ 0.0013471000000000, 0.0008837100000000, 0.0001441600000000 ] - [ -0.0017772700000000, 0.0012083100000000, 0.0001086900000000 ] - [ -0.0017772700000000, -0.0012083100000000, 0.0001086900000000 ] - [ -0.0015121600000000, 0.0000000000000000, 0.0003051100000000 ]- atom: 37 displacement: [ -0.0099999983408567, 0.0000000000000000, -0.0000057604567923 ] forces: - [ -0.0002258700000000, -0.0018148500000000, -0.0012439800000000 ] - [ -0.0002258700000000, 0.0018148500000000, -0.0012439800000000 ] - [ -0.0000709600000000, 0.0000000000000000, -0.0002476600000000 ] - [ -0.0236815500000000, 0.0000000000000000, 0.0108137400000000 ] - [ 0.0005973600000000, 0.0019987800000000, 0.0006999600000000 ] - [ 0.0005973600000000, -0.0019987800000000, 0.0006999600000000 ] - [ -0.0019622000000000, -0.0029036400000000, -0.0010273200000000 ] - [ -0.0019622000000000, 0.0029036400000000, -0.0010273200000000 ] - [ -0.0001640700000000, 0.0000000000000000, -0.0003889000000000 ] - [ 0.0027320600000000, 0.0000000000000000, -0.0256936200000000 ] - [ 0.0011713700000000, 0.0023981500000000, -0.0001487300000000 ] - [ 0.0011713700000000, -0.0023981500000000, -0.0001487300000000 ] - [ -0.0046842600000000, -0.0017969700000000, 0.0000589500000000 ] - [ -0.0046842600000000, 0.0017969700000000, 0.0000589500000000 ] - [ -0.0032721100000000, 0.0000000000000000, -0.0001025500000000 ] - [ 0.0088046500000000, 0.0000000000000000, 0.0006728000000000 ] - [ 0.0025573600000000, 0.0008537300000000, 0.0004897100000000 ] - [ 0.0025573600000000, -0.0008537300000000, 0.0004897100000000 ] - [ -0.0035397300000000, 0.0000000000000000, -0.0061636500000000 ] - [ -0.0001687000000000, -0.0008539900000000, -0.0007382600000000 ] - [ -0.0001687000000000, 0.0008539900000000, -0.0007382600000000 ] - [ -0.0036152200000000, 0.0014973400000000, -0.0000217100000000 ] - [ -0.0036152200000000, -0.0014973400000000, -0.0000217100000000 ] - [ -0.0015918900000000, 0.0000000000000000, -0.0003778900000000 ] - [ -0.0013162200000000, 0.0000000000000000, 0.0013900300000000 ] - [ 0.0014742100000000, -0.0008695800000000, 0.0007195000000000 ] - [ 0.0014742100000000, 0.0008695800000000, 0.0007195000000000 ] - [ -0.0021479900000000, 0.0007364000000000, -0.0001510200000000 ] - [ -0.0021479900000000, -0.0007364000000000, -0.0001510200000000 ] - [ -0.0017476500000000, 0.0000000000000000, -0.0003124400000000 ] - [ -0.0377668600000000, 0.0000000000000000, 0.0019808300000000 ] - [ -0.0001831800000000, -0.0038984400000000, -0.0001935600000000 ] - [ -0.0001831800000000, 0.0038984400000000, -0.0001935600000000 ] - [ -0.0033875300000000, 0.0009220800000000, -0.0002223200000000 ] - [ -0.0033875300000000, -0.0009220800000000, -0.0002223200000000 ] - [ -0.0024839200000000, 0.0000000000000000, 0.0002300100000000 ] - [ 0.1247116700000000, 0.0000000000000000, 0.0574895100000000 ] - [ 0.0021223800000000, -0.0001420600000000, 0.0017130500000000 ] - [ 0.0021223800000000, 0.0001420600000000, 0.0017130500000000 ] - [ -0.0013967000000000, -0.0000045500000000, -0.0008575600000000 ] - [ -0.0013967000000000, 0.0000045500000000, -0.0008575600000000 ] - [ -0.0010022500000000, 0.0000000000000000, -0.0005582200000000 ] - [ -0.0004172500000000, -0.0000072000000000, 0.0008592000000000 ] - [ -0.0004172500000000, 0.0000072000000000, 0.0008592000000000 ] - [ -0.0002941700000000, 0.0000000000000000, 0.0005695800000000 ] - [ -0.0015387800000000, -0.0000169000000000, -0.0011998300000000 ] - [ -0.0015387800000000, 0.0000169000000000, -0.0011998300000000 ] - [ -0.0011028500000000, 0.0000000000000000, -0.0008784700000000 ] - [ -0.0011257200000000, -0.0000016700000000, -0.0008294700000000 ] - [ -0.0011257200000000, 0.0000016700000000, -0.0008294700000000 ] - [ -0.0007150300000000, 0.0000000000000000, -0.0004859600000000 ] - [ 0.0034828300000000, 0.0000000000000000, 0.0043040500000000 ] - [ 0.0013072000000000, -0.0000419300000000, 0.0011290000000000 ] - [ 0.0013072000000000, 0.0000419300000000, 0.0011290000000000 ] - [ 0.0179482100000000, 0.0000000000000000, -0.0097283900000000 ] - [ 0.0006476200000000, -0.0002408400000000, -0.0015549500000000 ] - [ 0.0006476200000000, 0.0002408400000000, -0.0015549500000000 ] - [ 0.0016020800000000, 0.0000000000000000, -0.0000319000000000 ] - [ 0.0009258800000000, -0.0000906200000000, 0.0004657500000000 ] - [ 0.0009258800000000, 0.0000906200000000, 0.0004657500000000 ] - [ 0.0003491600000000, 0.0003298700000000, 0.0006778500000000 ] - [ 0.0003491600000000, -0.0003298700000000, 0.0006778500000000 ] - [ 0.0000464600000000, 0.0000000000000000, 0.0003117300000000 ] - [ -0.0008600100000000, 0.0000000000000000, -0.0100922400000000 ] - [ -0.0006135900000000, -0.0002532900000000, -0.0014868800000000 ] - [ -0.0006135900000000, 0.0002532900000000, -0.0014868800000000 ] - [ 0.0012034800000000, 0.0003178200000000, 0.0014032800000000 ] - [ 0.0012034800000000, -0.0003178200000000, 0.0014032800000000 ] - [ 0.0008169500000000, 0.0000000000000000, 0.0006724700000000 ] - [ 0.0218948500000000, 0.0000000000000000, 0.0312535700000000 ] - [ -0.0011144700000000, -0.0004271500000000, -0.0009440800000000 ] - [ -0.0011144700000000, 0.0004271500000000, -0.0009440800000000 ] - [ 0.0021530900000000, 0.0002562200000000, 0.0006640600000000 ] - [ 0.0021530900000000, -0.0002562200000000, 0.0006640600000000 ] - [ 0.0013994500000000, 0.0000000000000000, 0.0006131100000000 ] - [ -0.0086252400000000, 0.0000000000000000, 0.0041565500000000 ] - [ -0.0018140100000000, -0.0001999300000000, -0.0002060600000000 ] - [ -0.0018140100000000, 0.0001999300000000, -0.0002060600000000 ] - [ 0.0018969700000000, 0.0001022700000000, -0.0000056500000000 ] - [ 0.0018969700000000, -0.0001022700000000, -0.0000056500000000 ] - [ 0.0011115300000000, 0.0000000000000000, 0.0000110000000000 ] - [ -0.0115319400000000, 0.0000000000000000, 0.0103228300000000 ] - [ -0.0024308600000000, 0.0001577500000000, 0.0005599100000000 ] - [ -0.0024308600000000, -0.0001577500000000, 0.0005599100000000 ] - [ 0.0001309000000000, 0.0011368700000000, -0.0008795200000000 ] - [ 0.0001309000000000, -0.0011368700000000, -0.0008795200000000 ] - [ 0.0005645700000000, 0.0000000000000000, -0.0009072800000000 ] - [ 0.0039070400000000, 0.0000000000000000, 0.0002029100000000 ] - [ 0.0009187000000000, -0.0010249700000000, 0.0005430400000000 ] - [ 0.0009187000000000, 0.0010249700000000, 0.0005430400000000 ] - [ 0.0014522400000000, 0.0044607800000000, 0.0013413200000000 ] - [ 0.0014522400000000, -0.0044607800000000, 0.0013413200000000 ] - [ 0.0005599000000000, 0.0000000000000000, 0.0001992200000000 ] - [ 0.0039690900000000, 0.0000000000000000, 0.0022814400000000 ] - [ -0.0007751600000000, -0.0013290900000000, -0.0001149600000000 ] - [ -0.0007751600000000, 0.0013290900000000, -0.0001149600000000 ] - [ 0.0034866000000000, 0.0030337200000000, -0.0001954100000000 ] - [ 0.0034866000000000, -0.0030337200000000, -0.0001954100000000 ] - [ 0.0020302800000000, 0.0000000000000000, -0.0001328900000000 ] - [ -0.0002777100000000, 0.0000000000000000, 0.0035419400000000 ] - [ -0.0014917100000000, -0.0009168300000000, 0.0007234600000000 ] - [ -0.0014917100000000, 0.0009168300000000, 0.0007234600000000 ] - [ 0.0058018700000000, 0.0000000000000000, 0.0089050900000000 ] - [ -0.0000862800000000, 0.0004105400000000, 0.0011036300000000 ] - [ -0.0000862800000000, -0.0004105400000000, 0.0011036300000000 ] - [ 0.0010523200000000, -0.0002450700000000, 0.0009357200000000 ] - [ 0.0010523200000000, 0.0002450700000000, 0.0009357200000000 ] - [ 0.0005646500000000, 0.0000000000000000, 0.0002323000000000 ] - [ -0.0008158500000000, 0.0000000000000000, 0.0002140500000000 ] - [ -0.0006453500000000, 0.0001415100000000, -0.0004519000000000 ] - [ -0.0006453500000000, -0.0001415100000000, -0.0004519000000000 ] - [ 0.0019541800000000, -0.0001677700000000, -0.0001574900000000 ] - [ 0.0019541800000000, 0.0001677700000000, -0.0001574900000000 ] - [ 0.0012276500000000, 0.0000000000000000, 0.0001465300000000 ] - [ 0.0021281600000000, 0.0000000000000000, -0.0057238900000000 ] - [ -0.0009600500000000, 0.0003211700000000, -0.0007908600000000 ] - [ -0.0009600500000000, -0.0003211700000000, -0.0007908600000000 ] - [ 0.0014732100000000, -0.0001235400000000, 0.0003640000000000 ] - [ 0.0014732100000000, 0.0001235400000000, 0.0003640000000000 ] - [ 0.0010112300000000, 0.0000000000000000, 0.0002215100000000 ] - [ -0.1220336600000000, 0.0000000000000000, -0.0794130800000000 ] - [ -0.0027931700000000, 0.0006487100000000, 0.0002672900000000 ] - [ -0.0027931700000000, -0.0006487100000000, 0.0002672900000000 ] - [ 0.0026990700000000, -0.0000245000000000, -0.0001932400000000 ] - [ 0.0026990700000000, 0.0000245000000000, -0.0001932400000000 ] - [ 0.0019556700000000, 0.0000000000000000, -0.0001910800000000 ] - [ 0.0029007000000000, 0.0000000000000000, -0.0008088500000000 ] - [ 0.0015366400000000, 0.0004177600000000, -0.0008618100000000 ] - [ 0.0015366400000000, -0.0004177600000000, -0.0008618100000000 ] - [ 0.0034327600000000, -0.0059469100000000, 0.0000934500000000 ] - [ 0.0034327600000000, 0.0059469100000000, 0.0000934500000000 ] - [ 0.0010621800000000, 0.0000000000000000, 0.0004454000000000 ] - [ 0.0014220700000000, 0.0000000000000000, 0.0005012500000000 ] - [ 0.0004927000000000, 0.0004186700000000, 0.0001113400000000 ] - [ 0.0004927000000000, -0.0004186700000000, 0.0001113400000000 ] - [ -0.0002798200000000, -0.0011970700000000, -0.0003119600000000 ] - [ -0.0002798200000000, 0.0011970700000000, -0.0003119600000000 ] - [ -0.0005145300000000, 0.0000000000000000, -0.0001225800000000 ] - [ 0.0047063200000000, 0.0000000000000000, -0.0011283500000000 ] - [ 0.0019249700000000, 0.0008966200000000, -0.0004728300000000 ] - [ 0.0019249700000000, -0.0008966200000000, -0.0004728300000000 ] - [ -0.0002970300000000, -0.0012245300000000, 0.0008938400000000 ] - [ -0.0002970300000000, 0.0012245300000000, 0.0008938400000000 ] - [ -0.0005649400000000, 0.0000000000000000, 0.0006946100000000 ]- atom: 37 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0002872500000000, -0.0001206700000000, 0.0001177600000000 ] - [ 0.0000797400000000, -0.0001279000000000, 0.0000701800000000 ] - [ 0.0001810300000000, 0.0002301700000000, 0.0000929300000000 ] - [ -0.0001479500000000, -0.0021406700000000, -0.0001286900000000 ] - [ -0.0010536200000000, 0.0004469200000000, -0.0001801500000000 ] - [ 0.0007236100000000, 0.0004458400000000, -0.0000686300000000 ] - [ 0.0010942900000000, -0.0001292200000000, 0.0000878100000000 ] - [ 0.0009730100000000, -0.0001416400000000, -0.0000094700000000 ] - [ 0.0010347800000000, 0.0002438200000000, 0.0000403500000000 ] - [ -0.0006407900000000, -0.0017088500000000, -0.0002217400000000 ] - [ -0.0010219700000000, 0.0003328200000000, -0.0009872500000000 ] - [ -0.0002619100000000, 0.0003321400000000, 0.0005182000000000 ] - [ -0.0012933800000000, -0.0001164000000000, -0.0001535700000000 ] - [ -0.0015508500000000, -0.0001249800000000, -0.0001026200000000 ] - [ -0.0014234100000000, 0.0002390100000000, -0.0001311600000000 ] - [ -0.0003519400000000, -0.0006426200000000, 0.0005741000000000 ] - [ -0.0006711900000000, 0.0002596000000000, 0.0007984000000000 ] - [ -0.0000432300000000, 0.0002673900000000, 0.0003604100000000 ] - [ 0.0001712300000000, -0.0000615500000000, 0.0000748500000000 ] - [ 0.0003447600000000, 0.0000498800000000, 0.0002387200000000 ] - [ 0.0000288500000000, 0.0000565300000000, -0.0000415800000000 ] - [ -0.0003037200000000, -0.0001144100000000, -0.0000877700000000 ] - [ -0.0000067500000000, -0.0001328400000000, -0.0001633500000000 ] - [ -0.0001568200000000, 0.0001987400000000, -0.0001248200000000 ] - [ 0.0010309800000000, -0.0002541400000000, 0.0000420000000000 ] - [ 0.0013546200000000, 0.0000974000000000, -0.0000435100000000 ] - [ 0.0007246900000000, 0.0001049000000000, 0.0001206100000000 ] - [ -0.0006473100000000, -0.0000546800000000, -0.0001861800000000 ] - [ -0.0006332800000000, -0.0000611600000000, -0.0002692700000000 ] - [ -0.0006393400000000, 0.0001108000000000, -0.0002273800000000 ] - [ -0.0014425200000000, -0.0022805600000000, -0.0001246000000000 ] - [ -0.0003026200000000, 0.0005417300000000, -0.0000294500000000 ] - [ -0.0025145700000000, 0.0005380300000000, -0.0002265900000000 ] - [ -0.0003631400000000, -0.0000430400000000, 0.0005202400000000 ] - [ -0.0003514500000000, -0.0000512100000000, 0.0006320300000000 ] - [ -0.0003561800000000, 0.0001132000000000, 0.0005771400000000 ] - [ 0.0012058800000000, -0.0305605200000000, 0.0010990100000000 ] - [ 0.0001806900000000, 0.0006205300000000, 0.0002496900000000 ] - [ 0.0004619400000000, 0.0006116400000000, 0.0004046500000000 ] - [ 0.0000176200000000, 0.0000035700000000, 0.0001769500000000 ] - [ 0.0000017700000000, 0.0000033400000000, 0.0001575100000000 ] - [ 0.0000102100000000, 0.0000021000000000, 0.0001676700000000 ] - [ 0.0000625300000000, -0.0000027000000000, -0.0002304900000000 ] - [ 0.0000595900000000, -0.0000029300000000, -0.0002182300000000 ] - [ 0.0000611500000000, 0.0000046400000000, -0.0002247200000000 ] - [ -0.0000986200000000, 0.0000007700000000, -0.0001657300000000 ] - [ -0.0001269700000000, 0.0000004900000000, -0.0001897700000000 ] - [ -0.0001124800000000, 0.0000046600000000, -0.0001775300000000 ] - [ 0.0003209200000000, -0.0000032900000000, 0.0003289600000000 ] - [ 0.0003241200000000, -0.0000035500000000, 0.0003268500000000 ] - [ 0.0003226600000000, 0.0000047500000000, 0.0003280600000000 ] - [ 0.0000081200000000, -0.0005711900000000, 0.0001701800000000 ] - [ 0.0000712000000000, 0.0001150200000000, 0.0000941500000000 ] - [ -0.0000497600000000, 0.0001143500000000, 0.0002401600000000 ] - [ 0.0000674800000000, 0.0001305300000000, -0.0002190600000000 ] - [ 0.0000095600000000, 0.0001913500000000, 0.0001454400000000 ] - [ 0.0001112100000000, 0.0001883300000000, -0.0005874700000000 ] - [ -0.0001109800000000, 0.0001205800000000, -0.0001777500000000 ] - [ -0.0000321500000000, 0.0000045800000000, -0.0001265800000000 ] - [ -0.0001898900000000, 0.0000049000000000, -0.0002262800000000 ] - [ -0.0002788700000000, 0.0000275000000000, 0.0000583000000000 ] - [ -0.0002321600000000, 0.0000292500000000, 0.0001165900000000 ] - [ -0.0002525400000000, -0.0000430300000000, 0.0001000500000000 ] - [ 0.0000004400000000, 0.0010707500000000, -0.0005321100000000 ] - [ 0.0001693600000000, -0.0001751000000000, -0.0006721600000000 ] - [ -0.0001623500000000, -0.0001741400000000, -0.0004375800000000 ] - [ 0.0000282000000000, 0.0000196400000000, -0.0000345900000000 ] - [ 0.0001114400000000, 0.0000218900000000, 0.0000145100000000 ] - [ 0.0000718200000000, -0.0000330700000000, -0.0000131800000000 ] - [ 0.0002612900000000, 0.0145267100000000, -0.0000257800000000 ] - [ 0.0007292700000000, -0.0005440700000000, 0.0003320800000000 ] - [ -0.0003623900000000, -0.0005370400000000, -0.0004994100000000 ] - [ 0.0000686700000000, 0.0000140800000000, 0.0002188000000000 ] - [ 0.0001526000000000, 0.0000156200000000, 0.0002339600000000 ] - [ 0.0001095100000000, -0.0000286300000000, 0.0002251600000000 ] - [ -0.0001351800000000, 0.0005891700000000, -0.0001271100000000 ] - [ -0.0001124000000000, -0.0001002700000000, 0.0000221500000000 ] - [ -0.0001696000000000, -0.0001010000000000, -0.0002597100000000 ] - [ -0.0006333700000000, 0.0000086600000000, 0.0001438000000000 ] - [ -0.0005900200000000, 0.0000099600000000, 0.0001427800000000 ] - [ -0.0006125900000000, -0.0000162300000000, 0.0001434500000000 ] - [ 0.0000776600000000, -0.0000681000000000, -0.0000207300000000 ] - [ 0.0002021700000000, -0.0000911400000000, -0.0002777300000000 ] - [ -0.0000338700000000, -0.0000911600000000, 0.0002137900000000 ] - [ 0.0008622600000000, 0.0002120500000000, -0.0008807700000000 ] - [ 0.0010517300000000, 0.0002195400000000, -0.0009697000000000 ] - [ 0.0009558700000000, -0.0004164900000000, -0.0009248900000000 ] - [ 0.0005448600000000, 0.0002271700000000, 0.0006137000000000 ] - [ 0.0007024000000000, -0.0000958000000000, 0.0006016000000000 ] - [ 0.0003971400000000, -0.0000958200000000, 0.0006236500000000 ] - [ 0.0001330800000000, 0.0004381100000000, 0.0000711900000000 ] - [ 0.0005207700000000, 0.0004425500000000, 0.0000319800000000 ] - [ 0.0003255900000000, -0.0003917800000000, 0.0000507600000000 ] - [ -0.0007959700000000, -0.0001740300000000, -0.0000634800000000 ] - [ -0.0006581500000000, -0.0000987100000000, 0.0000113100000000 ] - [ -0.0009083700000000, -0.0001011600000000, -0.0001282900000000 ] - [ 0.0014187400000000, 0.0002824400000000, -0.0002925000000000 ] - [ 0.0018590500000000, 0.0002884700000000, -0.0000289100000000 ] - [ 0.0016354000000000, -0.0003612100000000, -0.0001606500000000 ] - [ -0.0010448900000000, 0.0002635200000000, 0.0004960000000000 ] - [ -0.0009464000000000, -0.0000704800000000, 0.0005538500000000 ] - [ -0.0011379400000000, -0.0000763600000000, 0.0004435000000000 ] - [ -0.0002266500000000, -0.0009529900000000, 0.0001264000000000 ] - [ -0.0003914700000000, -0.0000323100000000, -0.0001526300000000 ] - [ -0.0001249300000000, -0.0000333900000000, 0.0003198700000000 ] - [ 0.0000467500000000, 0.0000003400000000, -0.0004741800000000 ] - [ -0.0000410700000000, 0.0000026200000000, -0.0006273500000000 ] - [ 0.0000035100000000, -0.0000287000000000, -0.0005484700000000 ] - [ 0.0000706800000000, -0.0000100400000000, -0.0000121400000000 ] - [ -0.0000148700000000, -0.0000124800000000, -0.0000289400000000 ] - [ 0.0001485500000000, -0.0000133800000000, 0.0000069000000000 ] - [ 0.0002346200000000, 0.0000359800000000, -0.0001444900000000 ] - [ 0.0001245400000000, 0.0000384100000000, -0.0000307000000000 ] - [ 0.0001815900000000, -0.0000253900000000, -0.0000883200000000 ] - [ 0.0001197900000000, 0.0010252500000000, 0.0002163100000000 ] - [ -0.0002225200000000, -0.0001583800000000, 0.0003331400000000 ] - [ 0.0004356700000000, -0.0001580400000000, 0.0001207800000000 ] - [ -0.0001391900000000, 0.0000062100000000, -0.0001264000000000 ] - [ -0.0001426500000000, 0.0000082200000000, -0.0001120600000000 ] - [ -0.0001401900000000, -0.0000191500000000, -0.0001194700000000 ] - [ -0.0015912400000000, 0.0189322700000000, -0.0007165600000000 ] - [ -0.0011644900000000, -0.0006779000000000, -0.0000078400000000 ] - [ -0.0000708200000000, -0.0006669300000000, 0.0002919400000000 ] - [ 0.0000756100000000, 0.0000038000000000, -0.0000304500000000 ] - [ 0.0000936200000000, 0.0000050800000000, -0.0000283900000000 ] - [ 0.0000835600000000, -0.0000100600000000, -0.0000291200000000 ] - [ 0.0009610300000000, 0.0000905400000000, -0.0009248200000000 ] - [ 0.0009057800000000, -0.0000440200000000, -0.0009283400000000 ] - [ 0.0010073000000000, -0.0000487800000000, -0.0009220600000000 ] - [ 0.0009575900000000, 0.0004603900000000, 0.0009036400000000 ] - [ 0.0001148000000000, 0.0004660000000000, 0.0003261800000000 ] - [ 0.0005446900000000, -0.0005296400000000, 0.0006131600000000 ] - [ 0.0003266400000000, 0.0000951300000000, 0.0000494100000000 ] - [ 0.0002581700000000, -0.0000405500000000, 0.0000380700000000 ] - [ 0.0003893900000000, -0.0000437700000000, 0.0000571300000000 ] - [ -0.0007553600000000, 0.0001137600000000, -0.0000863100000000 ] - [ -0.0008147100000000, 0.0001247800000000, -0.0000312400000000 ] - [ -0.0007849100000000, -0.0002085000000000, -0.0000584300000000 ] - [ 0.0016546100000000, 0.0003890500000000, -0.0001642700000000 ] - [ 0.0015077300000000, -0.0000826400000000, -0.0001313900000000 ] - [ 0.0017558600000000, -0.0000839200000000, -0.0001894400000000 ] - [ -0.0010473100000000, 0.0000487000000000, 0.0005033200000000 ] - [ -0.0010365600000000, 0.0000550700000000, 0.0004923300000000 ] - [ -0.0010420700000000, -0.0001272500000000, 0.0004979700000000 ]- atom: 37 displacement: [ -0.0020604768976038, 0.0000000000000000, 0.0097854195083523 ] forces: - [ 0.0002807600000000, 0.0008480700000000, 0.0010853700000000 ] - [ 0.0002807600000000, -0.0008480700000000, 0.0010853700000000 ] - [ 0.0002964700000000, 0.0000000000000000, 0.0003440600000000 ] - [ 0.0081066900000000, 0.0000000000000000, -0.0118100700000000 ] - [ -0.0006091100000000, -0.0009515900000000, -0.0008714700000000 ] - [ -0.0006091100000000, 0.0009515900000000, -0.0008714700000000 ] - [ 0.0028498800000000, 0.0019420200000000, 0.0005815900000000 ] - [ 0.0028498800000000, -0.0019420200000000, 0.0005815900000000 ] - [ 0.0017463600000000, 0.0000000000000000, 0.0002774500000000 ] - [ -0.0001034500000000, 0.0000000000000000, 0.0183590600000000 ] - [ -0.0014635900000000, -0.0015635200000000, -0.0002224200000000 ] - [ -0.0014635900000000, 0.0015635200000000, -0.0002224200000000 ] - [ 0.0003429300000000, 0.0009708400000000, -0.0003390200000000 ] - [ 0.0003429300000000, -0.0009708400000000, -0.0003390200000000 ] - [ -0.0003977800000000, 0.0000000000000000, -0.0001644900000000 ] - [ -0.0046626900000000, 0.0000000000000000, 0.0042710400000000 ] - [ -0.0019975900000000, -0.0003335200000000, 0.0009524300000000 ] - [ -0.0019975900000000, 0.0003335200000000, 0.0009524300000000 ] - [ 0.0018337600000000, 0.0000000000000000, 0.0039115500000000 ] - [ 0.0003448100000000, 0.0004547800000000, 0.0006936500000000 ] - [ 0.0003448100000000, -0.0004547800000000, 0.0006936500000000 ] - [ 0.0020138500000000, -0.0016078500000000, -0.0002304200000000 ] - [ 0.0020138500000000, 0.0016078500000000, -0.0002304200000000 ] - [ 0.0006980500000000, 0.0000000000000000, -0.0000273800000000 ] - [ -0.0005724600000000, 0.0000000000000000, -0.0003047700000000 ] - [ 0.0006221800000000, 0.0002606900000000, -0.0002999700000000 ] - [ 0.0006221800000000, -0.0002606900000000, -0.0002999700000000 ] - [ 0.0000297400000000, -0.0002959800000000, -0.0004079100000000 ] - [ 0.0000297400000000, 0.0002959800000000, -0.0004079100000000 ] - [ -0.0000714500000000, 0.0000000000000000, -0.0001982900000000 ] - [ 0.0144384800000000, 0.0000000000000000, -0.0092747000000000 ] - [ -0.0022551900000000, 0.0023614900000000, -0.0003055900000000 ] - [ -0.0022551900000000, -0.0023614900000000, -0.0003055900000000 ] - [ 0.0013506000000000, -0.0004777000000000, 0.0012080200000000 ] - [ 0.0013506000000000, 0.0004777000000000, 0.0012080200000000 ] - [ 0.0008363900000000, 0.0000000000000000, 0.0008174000000000 ] - [ -0.0353649300000000, 0.0000000000000000, -0.0988420300000000 ] - [ -0.0006486400000000, 0.0000456900000000, -0.0005677800000000 ] - [ -0.0006486400000000, -0.0000456900000000, -0.0005677800000000 ] - [ 0.0008037400000000, 0.0000048600000000, 0.0007451400000000 ] - [ 0.0008037400000000, -0.0000048600000000, 0.0007451400000000 ] - [ 0.0005757100000000, 0.0000000000000000, 0.0005731600000000 ] - [ 0.0003251600000000, 0.0000017800000000, -0.0008151300000000 ] - [ 0.0003251600000000, -0.0000017800000000, -0.0008151300000000 ] - [ 0.0002585500000000, 0.0000000000000000, -0.0006629500000000 ] - [ 0.0006995500000000, 0.0000099500000000, 0.0004112900000000 ] - [ 0.0006995500000000, -0.0000099500000000, 0.0004112900000000 ] - [ 0.0004460600000000, 0.0000000000000000, 0.0002200600000000 ] - [ 0.0011458000000000, -0.0000011800000000, 0.0009795900000000 ] - [ 0.0011458000000000, 0.0000011800000000, 0.0009795900000000 ] - [ 0.0008975300000000, 0.0000000000000000, 0.0007768500000000 ] - [ -0.0028269700000000, 0.0000000000000000, 0.0001835100000000 ] - [ -0.0007191800000000, -0.0000982600000000, -0.0003089500000000 ] - [ -0.0007191800000000, 0.0000982600000000, -0.0003089500000000 ] - [ 0.0162228700000000, 0.0000000000000000, 0.0150663600000000 ] - [ -0.0002198600000000, 0.0002331800000000, 0.0004986400000000 ] - [ -0.0002198600000000, -0.0002331800000000, 0.0004986400000000 ] - [ -0.0005159700000000, 0.0000000000000000, -0.0003287200000000 ] - [ -0.0006487300000000, 0.0000409000000000, -0.0004848300000000 ] - [ -0.0006487300000000, -0.0000409000000000, -0.0004848300000000 ] - [ -0.0005596000000000, -0.0001490200000000, -0.0002343500000000 ] - [ -0.0005596000000000, 0.0001490200000000, -0.0002343500000000 ] - [ -0.0004205900000000, 0.0000000000000000, -0.0000376500000000 ] - [ 0.0030047300000000, 0.0000000000000000, 0.0046777000000000 ] - [ 0.0004201700000000, 0.0000300000000000, -0.0000119400000000 ] - [ 0.0004201700000000, -0.0000300000000000, -0.0000119400000000 ] - [ -0.0005472500000000, -0.0001919700000000, -0.0009013600000000 ] - [ -0.0005472500000000, 0.0001919700000000, -0.0009013600000000 ] - [ -0.0003404600000000, 0.0000000000000000, -0.0004263200000000 ] - [ -0.0266867300000000, 0.0000000000000000, -0.0051732700000000 ] - [ 0.0007463900000000, 0.0002914400000000, 0.0005703700000000 ] - [ 0.0007463900000000, -0.0002914400000000, 0.0005703700000000 ] - [ -0.0010729700000000, -0.0001739600000000, 0.0000459100000000 ] - [ -0.0010729700000000, 0.0001739600000000, 0.0000459100000000 ] - [ -0.0006235600000000, 0.0000000000000000, 0.0000286100000000 ] - [ 0.0038782000000000, 0.0000000000000000, -0.0042301800000000 ] - [ 0.0007235500000000, 0.0001953500000000, -0.0002475500000000 ] - [ 0.0007235500000000, -0.0001953500000000, -0.0002475500000000 ] - [ -0.0020199100000000, -0.0000536200000000, 0.0002258700000000 ] - [ -0.0020199100000000, 0.0000536200000000, 0.0002258700000000 ] - [ -0.0015715200000000, 0.0000000000000000, 0.0002191100000000 ] - [ 0.0023162900000000, 0.0000000000000000, -0.0021760900000000 ] - [ 0.0014657500000000, -0.0001365700000000, -0.0004206900000000 ] - [ 0.0014657500000000, 0.0001365700000000, -0.0004206900000000 ] - [ 0.0014536900000000, -0.0005442600000000, -0.0012122600000000 ] - [ 0.0014536900000000, 0.0005442600000000, -0.0012122600000000 ] - [ 0.0011908000000000, 0.0000000000000000, -0.0009840800000000 ] - [ -0.0014405700000000, 0.0000000000000000, 0.0006727100000000 ] - [ 0.0003397900000000, 0.0005420100000000, 0.0006619500000000 ] - [ 0.0003397900000000, -0.0005420100000000, 0.0006619500000000 ] - [ -0.0004540300000000, -0.0024465500000000, -0.0007930100000000 ] - [ -0.0004540300000000, 0.0024465500000000, -0.0007930100000000 ] - [ 0.0001659900000000, 0.0000000000000000, -0.0000562300000000 ] - [ -0.0043145700000000, 0.0000000000000000, -0.0016909000000000 ] - [ -0.0008001100000000, 0.0008022600000000, 0.0000105300000000 ] - [ -0.0008001100000000, -0.0008022600000000, 0.0000105300000000 ] - [ 0.0006841000000000, -0.0018130700000000, 0.0000841600000000 ] - [ 0.0006841000000000, 0.0018130700000000, 0.0000841600000000 ] - [ 0.0014058600000000, 0.0000000000000000, -0.0001390200000000 ] - [ -0.0012054500000000, 0.0000000000000000, -0.0008993200000000 ] - [ -0.0007900800000000, 0.0004893200000000, 0.0003131100000000 ] - [ -0.0007900800000000, -0.0004893200000000, 0.0003131100000000 ] - [ -0.0029924300000000, 0.0000000000000000, -0.0050462500000000 ] - [ -0.0003819700000000, -0.0002505100000000, -0.0005801200000000 ] - [ -0.0003819700000000, 0.0002505100000000, -0.0005801200000000 ] - [ -0.0006491000000000, 0.0001618400000000, -0.0015601500000000 ] - [ -0.0006491000000000, -0.0001618400000000, -0.0015601500000000 ] - [ -0.0003194500000000, 0.0000000000000000, -0.0010094500000000 ] - [ 0.0006855400000000, 0.0000000000000000, -0.0007081000000000 ] - [ 0.0004976700000000, -0.0000577400000000, 0.0001319400000000 ] - [ 0.0004976700000000, 0.0000577400000000, 0.0001319400000000 ] - [ -0.0009275100000000, 0.0001667700000000, 0.0001887800000000 ] - [ -0.0009275100000000, -0.0001667700000000, 0.0001887800000000 ] - [ -0.0004118600000000, 0.0000000000000000, -0.0001715600000000 ] - [ 0.0034973100000000, 0.0000000000000000, 0.0020142800000000 ] - [ 0.0008692800000000, -0.0000371600000000, 0.0008506000000000 ] - [ 0.0008692800000000, 0.0000371600000000, 0.0008506000000000 ] - [ -0.0010068400000000, 0.0000505200000000, -0.0004470800000000 ] - [ -0.0010068400000000, -0.0000505200000000, -0.0004470800000000 ] - [ -0.0007678400000000, 0.0000000000000000, -0.0003317800000000 ] - [ 0.0311659500000000, 0.0000000000000000, 0.0901085300000000 ] - [ 0.0005878800000000, -0.0003736500000000, 0.0002112600000000 ] - [ 0.0005878800000000, 0.0003736500000000, 0.0002112600000000 ] - [ -0.0013875400000000, 0.0000115600000000, 0.0000368200000000 ] - [ -0.0013875400000000, -0.0000115600000000, 0.0000368200000000 ] - [ -0.0009654600000000, 0.0000000000000000, 0.0000526300000000 ] - [ -0.0000115700000000, 0.0000000000000000, -0.0010283800000000 ] - [ 0.0006472700000000, -0.0002362200000000, -0.0009849100000000 ] - [ 0.0006472700000000, 0.0002362200000000, -0.0009849100000000 ] - [ -0.0009952900000000, 0.0043715400000000, 0.0011939300000000 ] - [ -0.0009952900000000, -0.0043715400000000, 0.0011939300000000 ] - [ 0.0002003400000000, 0.0000000000000000, 0.0007512800000000 ] - [ 0.0002123900000000, 0.0000000000000000, -0.0002285300000000 ] - [ 0.0002854700000000, -0.0001995900000000, -0.0000014100000000 ] - [ 0.0002854700000000, 0.0001995900000000, -0.0000014100000000 ] - [ -0.0007787700000000, 0.0003064100000000, 0.0002413100000000 ] - [ -0.0007787700000000, -0.0003064100000000, 0.0002413100000000 ] - [ -0.0008752400000000, 0.0000000000000000, 0.0000289700000000 ] - [ -0.0026282500000000, 0.0000000000000000, 0.0021611500000000 ] - [ 0.0014778000000000, -0.0006148400000000, 0.0001219700000000 ] - [ 0.0014778000000000, 0.0006148400000000, 0.0001219700000000 ] - [ -0.0014220700000000, 0.0006456200000000, 0.0002362600000000 ] - [ -0.0014220700000000, -0.0006456200000000, 0.0002362600000000 ] - [ -0.0012949100000000, 0.0000000000000000, 0.0003706800000000 ]- atom: 37 displacement: [ 0.0020604768976038, 0.0000000000000000, -0.0097854195083523 ] forces: - [ 0.0000791600000000, -0.0008589100000000, -0.0008960800000000 ] - [ 0.0000791600000000, 0.0008589100000000, -0.0008960800000000 ] - [ 0.0000653300000000, 0.0000000000000000, -0.0001580300000000 ] - [ -0.0084740000000000, 0.0000000000000000, 0.0115731800000000 ] - [ 0.0003011300000000, 0.0009635600000000, 0.0006237100000000 ] - [ 0.0003011300000000, -0.0009635600000000, 0.0006237100000000 ] - [ -0.0007923000000000, -0.0019578000000000, -0.0005087100000000 ] - [ -0.0007923000000000, 0.0019578000000000, -0.0005087100000000 ] - [ 0.0003199000000000, 0.0000000000000000, -0.0001986700000000 ] - [ -0.0012284500000000, 0.0000000000000000, -0.0189914800000000 ] - [ 0.0001900300000000, 0.0015749100000000, -0.0002297700000000 ] - [ 0.0001900300000000, -0.0015749100000000, -0.0002297700000000 ] - [ -0.0032041100000000, -0.0009844500000000, 0.0000817500000000 ] - [ -0.0032041100000000, 0.0009844500000000, 0.0000817500000000 ] - [ -0.0024570300000000, 0.0000000000000000, -0.0000967400000000 ] - [ 0.0039624400000000, 0.0000000000000000, -0.0030877400000000 ] - [ 0.0013060900000000, 0.0003423500000000, 0.0002021000000000 ] - [ 0.0013060900000000, -0.0003423500000000, 0.0002021000000000 ] - [ -0.0015011900000000, 0.0000000000000000, -0.0038017800000000 ] - [ 0.0000230500000000, -0.0004626500000000, -0.0005074800000000 ] - [ 0.0000230500000000, 0.0004626500000000, -0.0005074800000000 ] - [ -0.0023522300000000, 0.0016174000000000, -0.0000130700000000 ] - [ -0.0023522300000000, -0.0016174000000000, -0.0000130700000000 ] - [ -0.0010251600000000, 0.0000000000000000, -0.0002233600000000 ] - [ 0.0026519000000000, 0.0000000000000000, 0.0003842300000000 ] - [ 0.0014547800000000, -0.0002647800000000, 0.0003832800000000 ] - [ 0.0014547800000000, 0.0002647800000000, 0.0003832800000000 ] - [ -0.0013166200000000, 0.0003004600000000, -0.0000477000000000 ] - [ -0.0013166200000000, -0.0003004600000000, -0.0000477000000000 ] - [ -0.0012144900000000, 0.0000000000000000, -0.0002562000000000 ] - [ -0.0176624000000000, 0.0000000000000000, 0.0090853500000000 ] - [ -0.0005785200000000, -0.0023881800000000, 0.0000498700000000 ] - [ -0.0005785200000000, 0.0023881800000000, 0.0000498700000000 ] - [ -0.0020828900000000, 0.0004871300000000, -0.0000622300000000 ] - [ -0.0020828900000000, -0.0004871300000000, -0.0000622300000000 ] - [ -0.0015620200000000, 0.0000000000000000, 0.0003333200000000 ] - [ 0.0321653500000000, 0.0000000000000000, 0.0982019100000000 ] - [ 0.0013051600000000, -0.0000481500000000, 0.0012328600000000 ] - [ 0.0013051600000000, 0.0000481500000000, 0.0012328600000000 ] - [ -0.0007926200000000, -0.0000047500000000, -0.0004165200000000 ] - [ -0.0007926200000000, 0.0000047500000000, -0.0004165200000000 ] - [ -0.0005611200000000, 0.0000000000000000, -0.0002418800000000 ] - [ -0.0002061400000000, -0.0000017300000000, 0.0003732500000000 ] - [ -0.0002061400000000, 0.0000017300000000, 0.0003732500000000 ] - [ -0.0001384300000000, 0.0000000000000000, 0.0002182000000000 ] - [ -0.0009330400000000, -0.0000099100000000, -0.0007722700000000 ] - [ -0.0009330400000000, 0.0000099100000000, -0.0007722700000000 ] - [ -0.0006762300000000, 0.0000000000000000, -0.0005786700000000 ] - [ -0.0005095200000000, 0.0000012600000000, -0.0003305700000000 ] - [ -0.0005095200000000, -0.0000012600000000, -0.0003305700000000 ] - [ -0.0002587200000000, 0.0000000000000000, -0.0001257500000000 ] - [ 0.0028789700000000, 0.0000000000000000, 0.0001472300000000 ] - [ 0.0007470300000000, 0.0000987600000000, 0.0006497500000000 ] - [ 0.0007470300000000, -0.0000987600000000, 0.0006497500000000 ] - [ -0.0156384600000000, 0.0000000000000000, -0.0150765000000000 ] - [ 0.0003466400000000, -0.0002347300000000, -0.0009582600000000 ] - [ 0.0003466400000000, 0.0002347300000000, -0.0009582600000000 ] - [ 0.0003260900000000, 0.0000000000000000, -0.0000275300000000 ] - [ 0.0004319200000000, -0.0000412300000000, 0.0001347900000000 ] - [ 0.0004319200000000, 0.0000412300000000, 0.0001347900000000 ] - [ 0.0000520600000000, 0.0001512200000000, 0.0004116800000000 ] - [ 0.0000520600000000, -0.0001512200000000, 0.0004116800000000 ] - [ -0.0000840100000000, 0.0000000000000000, 0.0002367800000000 ] - [ -0.0029781100000000, 0.0000000000000000, -0.0057898500000000 ] - [ -0.0004186000000000, -0.0000322500000000, -0.0010983300000000 ] - [ -0.0004186000000000, 0.0000322500000000, -0.0010983300000000 ] - [ 0.0006926300000000, 0.0001928000000000, 0.0008876600000000 ] - [ 0.0006926300000000, -0.0001928000000000, 0.0008876600000000 ] - [ 0.0004867900000000, 0.0000000000000000, 0.0004029200000000 ] - [ 0.0275933800000000, 0.0000000000000000, 0.0048952500000000 ] - [ -0.0003974900000000, -0.0002924100000000, -0.0007514300000000 ] - [ -0.0003974900000000, 0.0002924100000000, -0.0007514300000000 ] - [ 0.0013048100000000, 0.0001755600000000, 0.0004096900000000 ] - [ 0.0013048100000000, -0.0001755600000000, 0.0004096900000000 ] - [ 0.0008484200000000, 0.0000000000000000, 0.0004239800000000 ] - [ -0.0041715400000000, 0.0000000000000000, 0.0040099000000000 ] - [ -0.0010126100000000, -0.0001971200000000, 0.0000064800000000 ] - [ -0.0010126100000000, 0.0001971200000000, 0.0000064800000000 ] - [ 0.0008111400000000, 0.0000536500000000, 0.0000594500000000 ] - [ 0.0008111400000000, -0.0000536500000000, 0.0000594500000000 ] - [ 0.0003556900000000, 0.0000000000000000, 0.0000674700000000 ] - [ -0.0022176700000000, 0.0000000000000000, 0.0021075900000000 ] - [ -0.0013161600000000, 0.0001369400000000, 0.0003658400000000 ] - [ -0.0013161600000000, -0.0001369400000000, 0.0003658400000000 ] - [ 0.0004605500000000, 0.0005633000000000, -0.0006397200000000 ] - [ 0.0004605500000000, -0.0005633000000000, -0.0006397200000000 ] - [ 0.0007188000000000, 0.0000000000000000, -0.0008652800000000 ] - [ 0.0025708600000000, 0.0000000000000000, 0.0005568400000000 ] - [ 0.0007589400000000, -0.0005516500000000, 0.0005631100000000 ] - [ 0.0007589400000000, 0.0005516500000000, 0.0005631100000000 ] - [ 0.0011083100000000, 0.0024614000000000, 0.0008946400000000 ] - [ 0.0011083100000000, -0.0024614000000000, 0.0008946400000000 ] - [ 0.0004847300000000, 0.0000000000000000, 0.0001566900000000 ] - [ 0.0027703600000000, 0.0000000000000000, 0.0015915300000000 ] - [ -0.0007697700000000, -0.0008107300000000, -0.0001288100000000 ] - [ -0.0007697700000000, 0.0008107300000000, -0.0001288100000000 ] - [ 0.0025961200000000, 0.0018353800000000, -0.0004053500000000 ] - [ 0.0025961200000000, -0.0018353800000000, -0.0004053500000000 ] - [ 0.0018650300000000, 0.0000000000000000, -0.0001823300000000 ] - [ -0.0008759600000000, 0.0000000000000000, 0.0018993200000000 ] - [ -0.0012976200000000, -0.0004912800000000, 0.0006833700000000 ] - [ -0.0012976200000000, 0.0004912800000000, 0.0006833700000000 ] - [ 0.0025740800000000, 0.0000000000000000, 0.0053355400000000 ] - [ -0.0001291300000000, 0.0002537500000000, 0.0007622200000000 ] - [ -0.0001291300000000, -0.0002537500000000, 0.0007622200000000 ] - [ 0.0006614900000000, -0.0001641900000000, 0.0004672700000000 ] - [ 0.0006614900000000, 0.0001641900000000, 0.0004672700000000 ] - [ 0.0003313300000000, 0.0000000000000000, -0.0000799900000000 ] - [ -0.0005649700000000, 0.0000000000000000, 0.0006855300000000 ] - [ -0.0003679200000000, 0.0000584300000000, -0.0001545700000000 ] - [ -0.0003679200000000, -0.0000584300000000, -0.0001545700000000 ] - [ 0.0012980100000000, -0.0001680700000000, -0.0003665100000000 ] - [ 0.0012980100000000, 0.0001680700000000, -0.0003665100000000 ] - [ 0.0007825700000000, 0.0000000000000000, -0.0000055600000000 ] - [ -0.0032830500000000, 0.0000000000000000, -0.0016095900000000 ] - [ -0.0006573600000000, 0.0000384600000000, -0.0004070100000000 ] - [ -0.0006573600000000, -0.0000384600000000, -0.0004070100000000 ] - [ 0.0007337300000000, -0.0000523800000000, 0.0002131800000000 ] - [ 0.0007337300000000, 0.0000523800000000, 0.0002131800000000 ] - [ 0.0004938600000000, 0.0000000000000000, 0.0000954400000000 ] - [ -0.0292564900000000, 0.0000000000000000, -0.0887922600000000 ] - [ -0.0018265400000000, 0.0003794900000000, 0.0000766400000000 ] - [ -0.0018265400000000, -0.0003794900000000, 0.0000766400000000 ] - [ 0.0015716600000000, -0.0000126000000000, -0.0000971000000000 ] - [ 0.0015716600000000, 0.0000126000000000, -0.0000971000000000 ] - [ 0.0011426600000000, 0.0000000000000000, -0.0001120200000000 ] - [ 0.0019413400000000, 0.0000000000000000, -0.0008200200000000 ] - [ 0.0012704100000000, 0.0002415700000000, -0.0008648300000000 ] - [ 0.0012704100000000, -0.0002415700000000, -0.0008648300000000 ] - [ 0.0021112500000000, -0.0044150400000000, 0.0000251100000000 ] - [ 0.0021112500000000, 0.0044150400000000, 0.0000251100000000 ] - [ 0.0008977200000000, 0.0000000000000000, 0.0004725800000000 ] - [ 0.0004380900000000, 0.0000000000000000, 0.0003312300000000 ] - [ 0.0003643700000000, 0.0002022500000000, 0.0000983700000000 ] - [ 0.0003643700000000, -0.0002022500000000, 0.0000983700000000 ] - [ -0.0007906300000000, -0.0003120200000000, -0.0003611200000000 ] - [ -0.0007906300000000, 0.0003120200000000, -0.0003611200000000 ] - [ -0.0006929600000000, 0.0000000000000000, -0.0001475000000000 ] - [ 0.0059156200000000, 0.0000000000000000, -0.0024808800000000 ] - [ 0.0017926500000000, 0.0006185600000000, -0.0004469900000000 ] - [ 0.0017926500000000, -0.0006185600000000, -0.0004469900000000 ] - [ -0.0006577000000000, -0.0006538300000000, 0.0007634200000000 ] - [ -0.0006577000000000, 0.0006538300000000, 0.0007634200000000 ] - [ -0.0007860700000000, 0.0000000000000000, 0.0006275600000000 ]- atom: 40 displacement: [ 0.0099999983408567, 0.0000000000000000, 0.0000057604567923 ] forces: - [ 0.0044818800000000, 0.0000000000000000, 0.0000148400000000 ] - [ 0.0003169300000000, 0.0008944300000000, -0.0000272000000000 ] - [ 0.0003169300000000, -0.0008944300000000, -0.0000272000000000 ] - [ 0.0019951900000000, 0.0018112900000000, 0.0013286700000000 ] - [ 0.0007380800000000, 0.0000000000000000, 0.0003478600000000 ] - [ 0.0019951900000000, -0.0018112900000000, 0.0013286700000000 ] - [ 0.0303317300000000, 0.0000000000000000, -0.0081933200000000 ] - [ 0.0001402500000000, 0.0026676700000000, -0.0006813700000000 ] - [ 0.0001402500000000, -0.0026676700000000, -0.0006813700000000 ] - [ 0.0018853100000000, 0.0013555800000000, -0.0005525600000000 ] - [ 0.0005730800000000, 0.0000000000000000, -0.0001072400000000 ] - [ 0.0018853100000000, -0.0013555800000000, -0.0005525600000000 ] - [ -0.0044797500000000, 0.0000000000000000, 0.0137406500000000 ] - [ -0.0037855600000000, 0.0021816100000000, 0.0003240500000000 ] - [ -0.0037855600000000, -0.0021816100000000, 0.0003240500000000 ] - [ 0.0023506100000000, 0.0008497500000000, 0.0008344800000000 ] - [ 0.0016293900000000, 0.0000000000000000, 0.0007084400000000 ] - [ 0.0023506100000000, -0.0008497500000000, 0.0008344800000000 ] - [ 0.0025438600000000, -0.0025786200000000, 0.0016262400000000 ] - [ 0.0010267400000000, 0.0000000000000000, 0.0005718400000000 ] - [ 0.0025438600000000, 0.0025786200000000, 0.0016262400000000 ] - [ 0.0040427500000000, 0.0000000000000000, -0.0003620100000000 ] - [ -0.0002027600000000, -0.0008224200000000, -0.0002620000000000 ] - [ -0.0002027600000000, 0.0008224200000000, -0.0002620000000000 ] - [ 0.0037170600000000, -0.0015381000000000, -0.0002811100000000 ] - [ 0.0023287100000000, 0.0000000000000000, 0.0002204300000000 ] - [ 0.0037170600000000, 0.0015381000000000, -0.0002811100000000 ] - [ 0.0223461500000000, 0.0000000000000000, -0.0099574900000000 ] - [ -0.0015683300000000, -0.0022471500000000, -0.0007514400000000 ] - [ -0.0015683300000000, 0.0022471500000000, -0.0007514400000000 ] - [ 0.0011713000000000, -0.0008612000000000, 0.0004831100000000 ] - [ 0.0004417600000000, 0.0000000000000000, 0.0001046400000000 ] - [ 0.0011713000000000, 0.0008612000000000, 0.0004831100000000 ] - [ -0.0020978000000000, 0.0000000000000000, 0.0166034400000000 ] - [ -0.0028852200000000, -0.0020466900000000, 0.0009528900000000 ] - [ -0.0028852200000000, 0.0020466900000000, 0.0009528900000000 ] - [ 0.0017073200000000, 0.0000082200000000, 0.0014287800000000 ] - [ 0.0013198400000000, 0.0000000000000000, 0.0011143700000000 ] - [ 0.0017073200000000, -0.0000082200000000, 0.0014287800000000 ] - [ -0.2032667900000000, 0.0000000000000000, -0.1168806200000000 ] - [ -0.0014770800000000, 0.0000415600000000, -0.0008387500000000 ] - [ -0.0014770800000000, -0.0000415600000000, -0.0008387500000000 ] - [ -0.0007357100000000, 0.0000000000000000, 0.0022065100000000 ] - [ -0.0003871300000000, -0.0000113400000000, 0.0008238800000000 ] - [ -0.0003871300000000, 0.0000113400000000, 0.0008238800000000 ] - [ -0.0038330500000000, 0.0000000000000000, -0.0033431000000000 ] - [ -0.0013986200000000, 0.0000430000000000, -0.0011060800000000 ] - [ -0.0013986200000000, -0.0000430000000000, -0.0011060800000000 ] - [ -0.0030900900000000, 0.0000000000000000, -0.0032917300000000 ] - [ -0.0009548500000000, -0.0000607300000000, -0.0006847800000000 ] - [ -0.0009548500000000, 0.0000607300000000, -0.0006847800000000 ] - [ 0.0013625600000000, 0.0000067100000000, 0.0011454700000000 ] - [ 0.0010012600000000, 0.0000000000000000, 0.0008757300000000 ] - [ 0.0013625600000000, -0.0000067100000000, 0.0011454700000000 ] - [ 0.0004984500000000, 0.0000008100000000, -0.0011750000000000 ] - [ 0.0003987800000000, 0.0000000000000000, -0.0009691600000000 ] - [ 0.0004984500000000, -0.0000008100000000, -0.0011750000000000 ] - [ 0.0012692200000000, -0.0000123300000000, 0.0008051800000000 ] - [ 0.0008746900000000, 0.0000000000000000, 0.0005197400000000 ] - [ 0.0012692200000000, 0.0000123300000000, 0.0008051800000000 ] - [ -0.0011704500000000, 0.0000000000000000, -0.0045543900000000 ] - [ -0.0000323500000000, -0.0002837100000000, -0.0001581700000000 ] - [ -0.0000323500000000, 0.0002837100000000, -0.0001581700000000 ] - [ -0.0008340500000000, -0.0002295000000000, -0.0019367500000000 ] - [ -0.0004484600000000, 0.0000000000000000, -0.0011840700000000 ] - [ -0.0008340500000000, 0.0002295000000000, -0.0019367500000000 ] - [ -0.0022254300000000, 0.0000000000000000, 0.0070052100000000 ] - [ 0.0007815400000000, -0.0002758500000000, 0.0010083400000000 ] - [ 0.0007815400000000, 0.0002758500000000, 0.0010083400000000 ] - [ -0.0013166200000000, -0.0002274800000000, -0.0006699700000000 ] - [ -0.0007167700000000, 0.0000000000000000, -0.0005191500000000 ] - [ -0.0013166200000000, 0.0002274800000000, -0.0006699700000000 ] - [ 0.1898920000000000, 0.0000000000000000, 0.1349031700000000 ] - [ 0.0017020700000000, -0.0004566900000000, 0.0007162200000000 ] - [ 0.0017020700000000, 0.0004566900000000, 0.0007162200000000 ] - [ -0.0019764300000000, -0.0001646100000000, -0.0001585200000000 ] - [ -0.0013088600000000, 0.0000000000000000, -0.0003509400000000 ] - [ -0.0019764300000000, 0.0001646100000000, -0.0001585200000000 ] - [ 0.0050235100000000, 0.0000000000000000, -0.0003340000000000 ] - [ 0.0015903300000000, -0.0000261400000000, -0.0000958900000000 ] - [ 0.0015903300000000, 0.0000261400000000, -0.0000958900000000 ] - [ -0.0023962000000000, -0.0000370100000000, 0.0001179800000000 ] - [ -0.0017290300000000, 0.0000000000000000, 0.0001171500000000 ] - [ -0.0023962000000000, 0.0000370100000000, 0.0001179800000000 ] - [ -0.0008528300000000, 0.0000000000000000, -0.0008702800000000 ] - [ 0.0004746900000000, -0.0004852300000000, -0.0009203500000000 ] - [ 0.0004746900000000, 0.0004852300000000, -0.0009203500000000 ] - [ 0.0000991500000000, -0.0035299800000000, -0.0004152800000000 ] - [ 0.0005358000000000, 0.0000000000000000, 0.0005897000000000 ] - [ 0.0000991500000000, 0.0035299800000000, -0.0004152800000000 ] - [ -0.0019358100000000, 0.0000000000000000, 0.0003754900000000 ] - [ 0.0000868800000000, -0.0007893700000000, 0.0001728200000000 ] - [ 0.0000868800000000, 0.0007893700000000, 0.0001728200000000 ] - [ -0.0027391600000000, -0.0040715800000000, -0.0003830400000000 ] - [ -0.0011577700000000, 0.0000000000000000, -0.0002155000000000 ] - [ -0.0027391600000000, 0.0040715800000000, -0.0003830400000000 ] - [ -0.0011241000000000, 0.0000000000000000, -0.0024955500000000 ] - [ 0.0017730800000000, -0.0008814500000000, -0.0003015700000000 ] - [ 0.0017730800000000, 0.0008814500000000, -0.0003015700000000 ] - [ -0.0018362300000000, -0.0012832600000000, 0.0005740100000000 ] - [ -0.0014854500000000, 0.0000000000000000, 0.0004521200000000 ] - [ -0.0018362300000000, 0.0012832600000000, 0.0005740100000000 ] - [ -0.0011672600000000, 0.0002381000000000, -0.0015338900000000 ] - [ -0.0007092300000000, 0.0000000000000000, -0.0005383300000000 ] - [ -0.0011672600000000, -0.0002381000000000, -0.0015338900000000 ] - [ -0.0012571000000000, 0.0000000000000000, -0.0033745200000000 ] - [ 0.0002419000000000, 0.0003041000000000, -0.0006404400000000 ] - [ 0.0002419000000000, -0.0003041000000000, -0.0006404400000000 ] - [ -0.0014876100000000, 0.0002897600000000, -0.0005524000000000 ] - [ -0.0008261900000000, 0.0000000000000000, -0.0004812600000000 ] - [ -0.0014876100000000, -0.0002897600000000, -0.0005524000000000 ] - [ -0.0015142000000000, 0.0000000000000000, 0.0067962800000000 ] - [ 0.0009138600000000, 0.0002914800000000, 0.0007914600000000 ] - [ 0.0009138600000000, -0.0002914800000000, 0.0007914600000000 ] - [ -0.0018526300000000, 0.0001406600000000, -0.0000588100000000 ] - [ -0.0011901400000000, 0.0000000000000000, -0.0001278300000000 ] - [ -0.0018526300000000, -0.0001406600000000, -0.0000588100000000 ] - [ -0.0220257200000000, 0.0000000000000000, -0.0217047800000000 ] - [ 0.0012491600000000, 0.0004282100000000, 0.0002767300000000 ] - [ 0.0012491600000000, -0.0004282100000000, 0.0002767300000000 ] - [ -0.0028787500000000, 0.0000376600000000, 0.0002236000000000 ] - [ -0.0022793300000000, 0.0000000000000000, 0.0002493200000000 ] - [ -0.0028787500000000, -0.0000376600000000, 0.0002236000000000 ] - [ 0.0065182800000000, 0.0000000000000000, -0.0015632000000000 ] - [ 0.0024628900000000, 0.0000590400000000, -0.0002897400000000 ] - [ 0.0024628900000000, -0.0000590400000000, -0.0002897400000000 ] - [ 0.0004924700000000, 0.0033943600000000, -0.0017530800000000 ] - [ 0.0009556600000000, 0.0000000000000000, -0.0009672100000000 ] - [ 0.0004924700000000, -0.0033943600000000, -0.0017530800000000 ] - [ -0.0010500200000000, 0.0000000000000000, 0.0006387800000000 ] - [ 0.0001266300000000, 0.0005583200000000, 0.0005857000000000 ] - [ 0.0001266300000000, -0.0005583200000000, 0.0005857000000000 ] - [ -0.0013470600000000, 0.0037085600000000, -0.0001738500000000 ] - [ -0.0000610700000000, 0.0000000000000000, -0.0000205700000000 ] - [ -0.0013470600000000, -0.0037085600000000, -0.0001738500000000 ] - [ -0.0032261400000000, 0.0000000000000000, 0.0001020500000000 ] - [ -0.0009999800000000, 0.0008809900000000, 0.0000794600000000 ] - [ -0.0009999800000000, -0.0008809900000000, 0.0000794600000000 ] - [ 0.0008160600000000, 0.0011986400000000, -0.0000518800000000 ] - [ 0.0012129100000000, 0.0000000000000000, -0.0001578500000000 ] - [ 0.0008160600000000, -0.0011986400000000, -0.0000518800000000 ] - [ -0.0046243300000000, 0.0000000000000000, -0.0022763600000000 ] - [ -0.0008706000000000, 0.0010864800000000, 0.0004462100000000 ] - [ -0.0008706000000000, -0.0010864800000000, 0.0004462100000000 ]- atom: 40 displacement: [ -0.0099999983408567, 0.0000000000000000, -0.0000057604567923 ] forces: - [ -0.0041554700000000, 0.0000000000000000, 0.0001759400000000 ] - [ 0.0000436100000000, -0.0009044300000000, 0.0002147100000000 ] - [ 0.0000436100000000, 0.0009044300000000, 0.0002147100000000 ] - [ -0.0023512200000000, -0.0018606800000000, -0.0016073700000000 ] - [ -0.0010711900000000, 0.0000000000000000, -0.0006105700000000 ] - [ -0.0023512200000000, 0.0018606800000000, -0.0016073700000000 ] - [ -0.0283822800000000, 0.0000000000000000, 0.0086022500000000 ] - [ 0.0019478900000000, -0.0027061400000000, 0.0007817300000000 ] - [ 0.0019478900000000, 0.0027061400000000, 0.0007817300000000 ] - [ -0.0032030200000000, -0.0013761800000000, 0.0001130600000000 ] - [ -0.0018764900000000, 0.0000000000000000, -0.0003487400000000 ] - [ -0.0032030200000000, 0.0013761800000000, 0.0001130600000000 ] - [ 0.0016416700000000, 0.0000000000000000, -0.0143383700000000 ] - [ 0.0009800600000000, -0.0022193700000000, -0.0005941800000000 ] - [ 0.0009800600000000, 0.0022193700000000, -0.0005941800000000 ] - [ -0.0031026200000000, -0.0008610800000000, 0.0003101900000000 ] - [ -0.0023684300000000, 0.0000000000000000, 0.0004425900000000 ] - [ -0.0031026200000000, 0.0008610800000000, 0.0003101900000000 ] - [ -0.0022207300000000, 0.0026236200000000, -0.0014638100000000 ] - [ -0.0006733200000000, 0.0000000000000000, -0.0003879500000000 ] - [ -0.0022207300000000, -0.0026236200000000, -0.0014638100000000 ] - [ -0.0044233200000000, 0.0000000000000000, 0.0001105300000000 ] - [ -0.0001123100000000, 0.0008352500000000, 0.0000126400000000 ] - [ -0.0001123100000000, -0.0008352500000000, 0.0000126400000000 ] - [ -0.0016883800000000, 0.0015652900000000, 0.0003688100000000 ] - [ -0.0002757900000000, 0.0000000000000000, -0.0001436500000000 ] - [ -0.0016883800000000, -0.0015652900000000, 0.0003688100000000 ] - [ -0.0240908000000000, 0.0000000000000000, 0.0097060500000000 ] - [ 0.0003088200000000, 0.0022836500000000, 0.0003090700000000 ] - [ 0.0003088200000000, -0.0022836500000000, 0.0003090700000000 ] - [ -0.0040554300000000, 0.0008752400000000, -0.0007502300000000 ] - [ -0.0033121700000000, 0.0000000000000000, -0.0003674200000000 ] - [ -0.0040554300000000, -0.0008752400000000, -0.0007502300000000 ] - [ 0.0014242200000000, 0.0000000000000000, -0.0157366200000000 ] - [ 0.0022160600000000, 0.0020832600000000, 0.0001950800000000 ] - [ 0.0022160600000000, -0.0020832600000000, 0.0001950800000000 ] - [ -0.0010858300000000, -0.0000085300000000, -0.0007916300000000 ] - [ -0.0006909300000000, 0.0000000000000000, -0.0004712200000000 ] - [ -0.0010858300000000, 0.0000085300000000, -0.0007916300000000 ] - [ 0.1924413600000000, 0.0000000000000000, 0.1051678400000000 ] - [ 0.0015211200000000, -0.0000443100000000, 0.0011919500000000 ] - [ 0.0015211200000000, 0.0000443100000000, 0.0011919500000000 ] - [ 0.0008760900000000, 0.0000000000000000, -0.0027143600000000 ] - [ 0.0005173500000000, 0.0000115500000000, -0.0012919200000000 ] - [ 0.0005173500000000, -0.0000115500000000, -0.0012919200000000 ] - [ 0.0036688600000000, 0.0000000000000000, 0.0030284500000000 ] - [ 0.0011961100000000, -0.0000430500000000, 0.0007673600000000 ] - [ 0.0011961100000000, 0.0000430500000000, 0.0007673600000000 ] - [ 0.0038108500000000, 0.0000000000000000, 0.0039926500000000 ] - [ 0.0016216000000000, 0.0000604000000000, 0.0013568600000000 ] - [ 0.0016216000000000, -0.0000604000000000, 0.0013568600000000 ] - [ -0.0013648000000000, -0.0000069200000000, -0.0008261000000000 ] - [ -0.0009983500000000, 0.0000000000000000, -0.0005529900000000 ] - [ -0.0013648000000000, 0.0000069200000000, -0.0008261000000000 ] - [ -0.0003831500000000, -0.0000009000000000, 0.0007409800000000 ] - [ -0.0002818800000000, 0.0000000000000000, 0.0005322000000000 ] - [ -0.0003831500000000, 0.0000009000000000, 0.0007409800000000 ] - [ -0.0015149200000000, 0.0000125100000000, -0.0011746500000000 ] - [ -0.0011138700000000, 0.0000000000000000, -0.0008847700000000 ] - [ -0.0015149200000000, -0.0000125100000000, -0.0011746500000000 ] - [ 0.0006701200000000, 0.0000000000000000, 0.0047588100000000 ] - [ -0.0004785600000000, 0.0002877300000000, 0.0003529600000000 ] - [ -0.0004785600000000, -0.0002877300000000, 0.0003529600000000 ] - [ 0.0008569600000000, 0.0002340200000000, 0.0008730900000000 ] - [ 0.0004609400000000, 0.0000000000000000, 0.0000873400000000 ] - [ 0.0008569600000000, -0.0002340200000000, 0.0008730900000000 ] - [ 0.0023296300000000, 0.0000000000000000, -0.0071366000000000 ] - [ -0.0006533000000000, 0.0002789600000000, -0.0010505200000000 ] - [ -0.0006533000000000, -0.0002789600000000, -0.0010505200000000 ] - [ 0.0017050700000000, 0.0002337100000000, 0.0004954200000000 ] - [ 0.0010896000000000, 0.0000000000000000, 0.0003497900000000 ] - [ 0.0017050700000000, -0.0002337100000000, 0.0004954200000000 ] - [ -0.1790005800000000, 0.0000000000000000, -0.1231612600000000 ] - [ -0.0015071900000000, 0.0004652100000000, -0.0002756400000000 ] - [ -0.0015071900000000, -0.0004652100000000, -0.0002756400000000 ] - [ 0.0017226700000000, 0.0001667600000000, -0.0000809900000000 ] - [ 0.0010463000000000, 0.0000000000000000, 0.0001161700000000 ] - [ 0.0017226700000000, -0.0001667600000000, -0.0000809900000000 ] - [ -0.0063444300000000, 0.0000000000000000, 0.0006731600000000 ] - [ -0.0028517800000000, 0.0000279700000000, 0.0003884600000000 ] - [ -0.0028517800000000, -0.0000279700000000, 0.0003884600000000 ] - [ 0.0026013300000000, 0.0000380800000000, -0.0001785700000000 ] - [ 0.0019258200000000, 0.0000000000000000, -0.0001790600000000 ] - [ 0.0026013300000000, -0.0000380800000000, -0.0001785700000000 ] - [ 0.0027862600000000, 0.0000000000000000, -0.0009785100000000 ] - [ 0.0014461700000000, 0.0004892400000000, -0.0009281000000000 ] - [ 0.0014461700000000, -0.0004892400000000, -0.0009281000000000 ] - [ 0.0010009500000000, 0.0035774500000000, 0.0016572900000000 ] - [ 0.0005610400000000, 0.0000000000000000, 0.0006355000000000 ] - [ 0.0010009500000000, -0.0035774500000000, 0.0016572900000000 ] - [ 0.0026336700000000, 0.0000000000000000, -0.0002848300000000 ] - [ 0.0005668100000000, 0.0008009300000000, -0.0000769800000000 ] - [ 0.0005668100000000, -0.0008009300000000, -0.0000769800000000 ] - [ 0.0011946100000000, 0.0041432000000000, 0.0002638600000000 ] - [ -0.0004052800000000, 0.0000000000000000, 0.0000978400000000 ] - [ 0.0011946100000000, -0.0041432000000000, 0.0002638600000000 ] - [ 0.0044947400000000, 0.0000000000000000, 0.0022433700000000 ] - [ 0.0014934900000000, 0.0009006000000000, -0.0000203400000000 ] - [ 0.0014934900000000, -0.0009006000000000, -0.0000203400000000 ] - [ -0.0002380600000000, 0.0013002700000000, 0.0004204700000000 ] - [ -0.0005932100000000, 0.0000000000000000, 0.0005454800000000 ] - [ -0.0002380600000000, -0.0013002700000000, 0.0004204700000000 ] - [ 0.0006729500000000, -0.0002418200000000, 0.0017409800000000 ] - [ 0.0002039900000000, 0.0000000000000000, 0.0007243100000000 ] - [ 0.0006729500000000, 0.0002418200000000, 0.0017409800000000 ] - [ 0.0012868700000000, 0.0000000000000000, 0.0023352400000000 ] - [ -0.0002387500000000, -0.0003094400000000, -0.0004519400000000 ] - [ -0.0002387500000000, 0.0003094400000000, -0.0004519400000000 ] - [ 0.0016517200000000, -0.0002946300000000, 0.0005383900000000 ] - [ 0.0009761500000000, 0.0000000000000000, 0.0004716300000000 ] - [ 0.0016517200000000, 0.0002946300000000, 0.0005383900000000 ] - [ 0.0018833300000000, 0.0000000000000000, -0.0070816600000000 ] - [ -0.0005661700000000, -0.0002947900000000, -0.0009854500000000 ] - [ -0.0005661700000000, 0.0002947900000000, -0.0009854500000000 ] - [ 0.0021034600000000, -0.0001426400000000, 0.0005148000000000 ] - [ 0.0014318900000000, 0.0000000000000000, 0.0005845400000000 ] - [ 0.0021034600000000, 0.0001426400000000, 0.0005148000000000 ] - [ 0.0222453500000000, 0.0000000000000000, 0.0221868100000000 ] - [ -0.0015566200000000, -0.0004337700000000, -0.0005246000000000 ] - [ -0.0015566200000000, 0.0004337700000000, -0.0005246000000000 ] - [ 0.0016921300000000, -0.0000377300000000, 0.0000623400000000 ] - [ 0.0010809800000000, 0.0000000000000000, 0.0000347000000000 ] - [ 0.0016921300000000, 0.0000377300000000, 0.0000623400000000 ] - [ -0.0064554500000000, 0.0000000000000000, 0.0015349300000000 ] - [ -0.0023361800000000, -0.0000605800000000, 0.0002361800000000 ] - [ -0.0023361800000000, 0.0000605800000000, 0.0002361800000000 ] - [ 0.0014314900000000, -0.0034547300000000, -0.0000795800000000 ] - [ 0.0009595500000000, 0.0000000000000000, -0.0008821500000000 ] - [ 0.0014314900000000, 0.0034547300000000, -0.0000795800000000 ] - [ 0.0021692000000000, 0.0000000000000000, 0.0005862000000000 ] - [ 0.0009757900000000, -0.0005674900000000, 0.0006392800000000 ] - [ 0.0009757900000000, 0.0005674900000000, 0.0006392800000000 ] - [ 0.0020242000000000, -0.0037717700000000, 0.0002711200000000 ] - [ 0.0007173900000000, 0.0000000000000000, 0.0001192700000000 ] - [ 0.0020242000000000, 0.0037717700000000, 0.0002711200000000 ] - [ 0.0017008300000000, 0.0000000000000000, -0.0002259100000000 ] - [ -0.0005667000000000, -0.0008947000000000, -0.0001993900000000 ] - [ -0.0005667000000000, 0.0008947000000000, -0.0001993900000000 ] - [ 0.0024656500000000, -0.0012195200000000, -0.0002721800000000 ] - [ 0.0020630400000000, 0.0000000000000000, -0.0001646100000000 ] - [ 0.0024656500000000, 0.0012195200000000, -0.0002721800000000 ] - [ 0.0026022200000000, 0.0000000000000000, 0.0033201400000000 ] - [ -0.0012166900000000, -0.0011076300000000, 0.0005508300000000 ] - [ -0.0012166900000000, 0.0011076300000000, 0.0005508300000000 ]- atom: 40 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0001673700000000, -0.0002169200000000, 0.0000927500000000 ] - [ 0.0004484300000000, 0.0000650700000000, -0.0000186400000000 ] - [ -0.0000750100000000, 0.0000719900000000, 0.0002083700000000 ] - [ -0.0004456300000000, -0.0001483900000000, -0.0001557900000000 ] - [ -0.0001566400000000, 0.0001228800000000, -0.0001247700000000 ] - [ 0.0001381100000000, -0.0001199800000000, -0.0000887000000000 ] - [ 0.0010159300000000, -0.0040819400000000, 0.0000615300000000 ] - [ 0.0021374400000000, 0.0004274000000000, 0.0000403300000000 ] - [ -0.0000452400000000, 0.0004160600000000, 0.0000358000000000 ] - [ -0.0005514900000000, -0.0000773300000000, -0.0002126000000000 ] - [ -0.0006389200000000, 0.0001313800000000, -0.0002277700000000 ] - [ -0.0007188900000000, -0.0000636300000000, -0.0002450600000000 ] - [ -0.0014131500000000, -0.0007619300000000, -0.0001428000000000 ] - [ -0.0008870500000000, -0.0000930100000000, 0.0004594000000000 ] - [ -0.0019489600000000, -0.0000956800000000, -0.0007056500000000 ] - [ -0.0003615300000000, -0.0000483200000000, 0.0005518200000000 ] - [ -0.0003539000000000, 0.0000765100000000, 0.0005769400000000 ] - [ -0.0003516100000000, -0.0000370700000000, 0.0006002300000000 ] - [ 0.0001637100000000, -0.0001285500000000, -0.0000206900000000 ] - [ 0.0001828300000000, 0.0002141400000000, 0.0000948900000000 ] - [ 0.0001987200000000, -0.0001193200000000, 0.0002059700000000 ] - [ -0.0001522800000000, -0.0001768100000000, -0.0001231400000000 ] - [ -0.0004786200000000, 0.0000744500000000, -0.0000671200000000 ] - [ 0.0001558900000000, 0.0000785400000000, -0.0001807800000000 ] - [ 0.0008754800000000, -0.0000938800000000, 0.0000897600000000 ] - [ 0.0010349900000000, 0.0001796000000000, 0.0000401100000000 ] - [ 0.0011940300000000, -0.0000873700000000, -0.0000073800000000 ] - [ -0.0006294600000000, -0.0022707000000000, -0.0002279300000000 ] - [ -0.0015258900000000, 0.0004977300000000, -0.0002209200000000 ] - [ 0.0002340200000000, 0.0004968300000000, -0.0002299900000000 ] - [ -0.0014484100000000, -0.0000580700000000, -0.0001321400000000 ] - [ -0.0014209000000000, 0.0001121600000000, -0.0001297700000000 ] - [ -0.0013946300000000, -0.0000541500000000, -0.0001240700000000 ] - [ -0.0003483300000000, -0.0008225800000000, 0.0005766900000000 ] - [ -0.0007619800000000, 0.0001847900000000, 0.0000427500000000 ] - [ 0.0000465800000000, 0.0001875400000000, 0.0011006900000000 ] - [ 0.0003269700000000, 0.0000032900000000, 0.0003337200000000 ] - [ 0.0003230000000000, 0.0000021300000000, 0.0003283500000000 ] - [ 0.0003176900000000, 0.0000036200000000, 0.0003219800000000 ] - [ 0.0012723300000000, -0.0209893800000000, 0.0011184000000000 ] - [ -0.0000330500000000, 0.0006497100000000, 0.0001178200000000 ] - [ 0.0000527100000000, 0.0006408100000000, 0.0002167800000000 ] - [ 0.0000615200000000, 0.0001429600000000, -0.0002271200000000 ] - [ 0.0000568100000000, -0.0000032500000000, -0.0002118300000000 ] - [ 0.0000656100000000, -0.0000025800000000, -0.0002375400000000 ] - [ -0.0001075500000000, -0.0003228000000000, -0.0001704700000000 ] - [ -0.0000715100000000, 0.0000874900000000, -0.0002475200000000 ] - [ -0.0001524300000000, 0.0000873500000000, -0.0001081000000000 ] - [ 0.0003258900000000, -0.0005710700000000, 0.0003258300000000 ] - [ 0.0002802900000000, 0.0001149500000000, 0.0004205500000000 ] - [ 0.0003648300000000, 0.0001143400000000, 0.0002371600000000 ] - [ 0.0000034700000000, -0.0000004700000000, 0.0001607100000000 ] - [ 0.0000096400000000, 0.0000014000000000, 0.0001671700000000 ] - [ 0.0000164300000000, -0.0000002800000000, 0.0001745200000000 ] - [ 0.0000581600000000, -0.0000017000000000, -0.0002198800000000 ] - [ 0.0000611800000000, 0.0000023700000000, -0.0002246100000000 ] - [ 0.0000640200000000, -0.0000014400000000, -0.0002290800000000 ] - [ -0.0001311700000000, -0.0000006900000000, -0.0001928700000000 ] - [ -0.0001122300000000, 0.0000032800000000, -0.0001774600000000 ] - [ -0.0000936900000000, -0.0000004500000000, -0.0001622900000000 ] - [ -0.0002475700000000, 0.0005141700000000, 0.0001029000000000 ] - [ -0.0002873700000000, 0.0000426900000000, 0.0001455400000000 ] - [ -0.0002227500000000, 0.0000427100000000, 0.0000364400000000 ] - [ 0.0000219900000000, -0.0000058500000000, -0.0005182900000000 ] - [ 0.0000020600000000, -0.0000141600000000, -0.0005547900000000 ] - [ -0.0000151100000000, -0.0000092500000000, -0.0005769400000000 ] - [ 0.0000844200000000, 0.0013564800000000, -0.0000434800000000 ] - [ -0.0002169000000000, -0.0001342000000000, 0.0001083900000000 ] - [ 0.0003527300000000, -0.0001341800000000, -0.0001280800000000 ] - [ 0.0001697200000000, 0.0000421700000000, -0.0001211800000000 ] - [ 0.0001783400000000, -0.0000224600000000, -0.0000882400000000 ] - [ 0.0001907100000000, 0.0000384300000000, -0.0000596100000000 ] - [ -0.0011940200000000, 0.0129194500000000, -0.0007389200000000 ] - [ -0.0006227700000000, -0.0006868800000000, -0.0000489500000000 ] - [ 0.0008304100000000, -0.0006764400000000, 0.0004957500000000 ] - [ -0.0001564900000000, 0.0000221200000000, -0.0001063400000000 ] - [ -0.0001415900000000, -0.0000188000000000, -0.0001187200000000 ] - [ -0.0001275100000000, 0.0000200700000000, -0.0001301800000000 ] - [ -0.0006185300000000, 0.0004133800000000, 0.0001491300000000 ] - [ -0.0007305400000000, -0.0000952500000000, 0.0000505200000000 ] - [ -0.0004958000000000, -0.0000953700000000, 0.0002346000000000 ] - [ 0.0001055600000000, 0.0000024000000000, -0.0000213700000000 ] - [ 0.0000831500000000, -0.0000070300000000, -0.0000293400000000 ] - [ 0.0000614900000000, 0.0000011800000000, -0.0000364500000000 ] - [ 0.0009635300000000, 0.0000680800000000, -0.0009249000000000 ] - [ 0.0008930900000000, -0.0000229800000000, -0.0009248300000000 ] - [ 0.0010173100000000, -0.0000252200000000, -0.0009243200000000 ] - [ 0.0004004900000000, 0.0012905000000000, 0.0011919500000000 ] - [ 0.0005469300000000, -0.0002669600000000, 0.0006118000000000 ] - [ 0.0006779300000000, 0.0012912200000000, 0.0000120900000000 ] - [ 0.0003337600000000, 0.0003150300000000, 0.0000483200000000 ] - [ 0.0001964800000000, -0.0000236600000000, 0.0000467800000000 ] - [ 0.0004474400000000, -0.0000263900000000, 0.0000519100000000 ] - [ -0.0009345900000000, 0.0008030500000000, -0.0005058400000000 ] - [ -0.0007871000000000, -0.0003845800000000, -0.0000603300000000 ] - [ -0.0006657900000000, 0.0008055700000000, 0.0003880400000000 ] - [ 0.0016717600000000, -0.0008502900000000, -0.0001387300000000 ] - [ 0.0015761800000000, -0.0000046000000000, -0.0002726600000000 ] - [ 0.0016880700000000, -0.0000109800000000, -0.0000526900000000 ] - [ -0.0010720500000000, 0.0000678000000000, 0.0005279200000000 ] - [ -0.0010437400000000, -0.0001123700000000, 0.0004980700000000 ] - [ -0.0010103400000000, 0.0000524800000000, 0.0004694600000000 ] - [ -0.0002322100000000, 0.0000076200000000, 0.0001429000000000 ] - [ -0.0002558300000000, -0.0000236900000000, 0.0000894400000000 ] - [ -0.0002755600000000, 0.0000061900000000, 0.0000421300000000 ] - [ -0.0000007800000000, 0.0001912500000000, -0.0005552700000000 ] - [ 0.0000671600000000, -0.0000115600000000, -0.0005058200000000 ] - [ -0.0000584900000000, -0.0000119500000000, -0.0005877000000000 ] - [ 0.0001182000000000, 0.0000242600000000, 0.0000126100000000 ] - [ 0.0000684200000000, -0.0000280100000000, -0.0000104800000000 ] - [ 0.0000226200000000, 0.0000230500000000, -0.0000375000000000 ] - [ 0.0001729700000000, 0.0008283700000000, -0.0000809700000000 ] - [ 0.0004629800000000, -0.0001583000000000, -0.0002387000000000 ] - [ -0.0000967200000000, -0.0001579700000000, 0.0000564300000000 ] - [ 0.0001467900000000, 0.0000099100000000, 0.0002088600000000 ] - [ 0.0001105800000000, -0.0000191100000000, 0.0002252800000000 ] - [ 0.0000724900000000, 0.0000088700000000, 0.0002424800000000 ] - [ -0.0001184000000000, 0.0092912100000000, -0.0001057300000000 ] - [ 0.0004529400000000, -0.0004782300000000, 0.0002117700000000 ] - [ -0.0007262800000000, -0.0004727500000000, -0.0004459200000000 ] - [ -0.0006056300000000, 0.0000031400000000, 0.0001366200000000 ] - [ -0.0006128700000000, -0.0000077800000000, 0.0001428200000000 ] - [ -0.0006179100000000, 0.0000022400000000, 0.0001499700000000 ] - [ 0.0000783200000000, 0.0002873800000000, -0.0000318600000000 ] - [ 0.0001624700000000, -0.0000866000000000, 0.0000354600000000 ] - [ 0.0000040900000000, -0.0000869900000000, -0.0000926000000000 ] - [ 0.0010643300000000, 0.0004912200000000, -0.0010005500000000 ] - [ 0.0009582700000000, -0.0003757100000000, -0.0009244700000000 ] - [ 0.0008522300000000, 0.0004839200000000, -0.0008442700000000 ] - [ 0.0005452100000000, 0.0000876300000000, 0.0006136800000000 ] - [ 0.0006199300000000, -0.0000395200000000, 0.0006094600000000 ] - [ 0.0004767900000000, -0.0000421600000000, 0.0006162700000000 ] - [ 0.0005826000000000, 0.0002918500000000, 0.0002229700000000 ] - [ 0.0003260600000000, -0.0003957400000000, 0.0000488300000000 ] - [ 0.0000721300000000, 0.0002864200000000, -0.0001273200000000 ] - [ -0.0007870100000000, 0.0001647500000000, -0.0000599700000000 ] - [ -0.0006666500000000, -0.0000688500000000, -0.0000479100000000 ] - [ -0.0009007800000000, -0.0000715700000000, -0.0000694200000000 ] - [ 0.0016671400000000, 0.0000869900000000, -0.0001732300000000 ] - [ 0.0016346200000000, -0.0001583200000000, -0.0001612300000000 ] - [ 0.0016009500000000, 0.0000828300000000, -0.0001486300000000 ] - [ -0.0010496300000000, -0.0000392000000000, 0.0004931400000000 ] - [ -0.0009392500000000, -0.0000734200000000, 0.0005906000000000 ] - [ -0.0011432100000000, -0.0000737900000000, 0.0004067600000000 ]- atom: 40 displacement: [ -0.0020604768976038, 0.0000000000000000, 0.0097854195083523 ] forces: - [ 0.0009429100000000, 0.0000000000000000, -0.0005103400000000 ] - [ 0.0001873700000000, 0.0002724500000000, 0.0000081000000000 ] - [ 0.0001873700000000, -0.0002724500000000, 0.0000081000000000 ] - [ 0.0008273400000000, 0.0011519900000000, 0.0008801500000000 ] - [ 0.0002705500000000, 0.0000000000000000, 0.0001775500000000 ] - [ 0.0008273400000000, -0.0011519900000000, 0.0008801500000000 ] - [ 0.0063536400000000, 0.0000000000000000, -0.0095176300000000 ] - [ 0.0003902500000000, 0.0014518100000000, -0.0006823700000000 ] - [ 0.0003902500000000, -0.0014518100000000, -0.0006823700000000 ] - [ 0.0007783400000000, 0.0010314100000000, -0.0006927600000000 ] - [ 0.0000004200000000, 0.0000000000000000, -0.0002261600000000 ] - [ 0.0007783400000000, -0.0010314100000000, -0.0006927600000000 ] - [ 0.0019548800000000, 0.0000000000000000, 0.0084304800000000 ] - [ -0.0023041800000000, 0.0009887000000000, 0.0002397200000000 ] - [ -0.0023041800000000, -0.0009887000000000, 0.0002397200000000 ] - [ 0.0008277100000000, 0.0002567900000000, 0.0006691200000000 ] - [ 0.0005922600000000, 0.0000000000000000, 0.0006402200000000 ] - [ 0.0008277100000000, -0.0002567900000000, 0.0006691200000000 ] - [ 0.0015797000000000, -0.0015868400000000, 0.0009410800000000 ] - [ 0.0006553000000000, 0.0000000000000000, 0.0003625500000000 ] - [ 0.0015797000000000, 0.0015868400000000, 0.0009410800000000 ] - [ 0.0006272400000000, 0.0000000000000000, 0.0004078900000000 ] - [ -0.0002683800000000, -0.0002740000000000, -0.0000813200000000 ] - [ -0.0002683800000000, 0.0002740000000000, -0.0000813200000000 ] - [ 0.0023663000000000, -0.0008049500000000, -0.0003471100000000 ] - [ 0.0016787800000000, 0.0000000000000000, 0.0000705500000000 ] - [ 0.0023663000000000, 0.0008049500000000, -0.0003471100000000 ] - [ 0.0090557700000000, 0.0000000000000000, -0.0108751600000000 ] - [ -0.0011643700000000, -0.0010494300000000, -0.0008364500000000 ] - [ -0.0011643700000000, 0.0010494300000000, -0.0008364500000000 ] - [ -0.0002332800000000, -0.0003172600000000, 0.0002913400000000 ] - [ -0.0005202000000000, 0.0000000000000000, 0.0000259100000000 ] - [ -0.0002332800000000, 0.0003172600000000, 0.0002913400000000 ] - [ 0.0002897800000000, 0.0000000000000000, 0.0116890200000000 ] - [ -0.0014656200000000, -0.0012321400000000, 0.0008887600000000 ] - [ -0.0014656200000000, 0.0012321400000000, 0.0008887600000000 ] - [ 0.0010247000000000, 0.0000080700000000, 0.0008853600000000 ] - [ 0.0008168300000000, 0.0000000000000000, 0.0007177500000000 ] - [ 0.0010247000000000, -0.0000080700000000, 0.0008853600000000 ] - [ -0.0695590700000000, 0.0000000000000000, -0.0873095800000000 ] - [ -0.0006681100000000, 0.0000387400000000, -0.0004561100000000 ] - [ -0.0006681100000000, -0.0000387400000000, -0.0004561100000000 ] - [ -0.0009657400000000, 0.0000000000000000, 0.0029431000000000 ] - [ -0.0001994800000000, -0.0000018400000000, 0.0004384400000000 ] - [ -0.0001994800000000, 0.0000018400000000, 0.0004384400000000 ] - [ -0.0024504500000000, 0.0000000000000000, -0.0005280600000000 ] - [ -0.0007782600000000, -0.0000613000000000, -0.0006167300000000 ] - [ -0.0007782600000000, 0.0000613000000000, -0.0006167300000000 ] - [ -0.0030058000000000, 0.0000000000000000, 0.0002655900000000 ] - [ -0.0003415600000000, 0.0000843700000000, -0.0001341300000000 ] - [ -0.0003415600000000, -0.0000843700000000, -0.0001341300000000 ] - [ 0.0006882900000000, 0.0000056500000000, 0.0006522100000000 ] - [ 0.0004986400000000, 0.0000000000000000, 0.0005150700000000 ] - [ 0.0006882900000000, -0.0000056500000000, 0.0006522100000000 ] - [ 0.0002670700000000, 0.0000001000000000, -0.0006524900000000 ] - [ 0.0002234600000000, 0.0000000000000000, -0.0005750700000000 ] - [ 0.0002670700000000, -0.0000001000000000, -0.0006524900000000 ] - [ 0.0005730900000000, -0.0000091200000000, 0.0003017800000000 ] - [ 0.0003734700000000, 0.0000000000000000, 0.0001635200000000 ] - [ 0.0005730900000000, 0.0000091200000000, 0.0003017800000000 ] - [ 0.0000492800000000, 0.0000000000000000, 0.0009259000000000 ] - [ -0.0001545300000000, -0.0000926600000000, -0.0000552100000000 ] - [ -0.0001545300000000, 0.0000926600000000, -0.0000552100000000 ] - [ -0.0004097300000000, -0.0000889400000000, -0.0013701400000000 ] - [ -0.0002265800000000, 0.0000000000000000, -0.0009090300000000 ] - [ -0.0004097300000000, 0.0000889400000000, -0.0013701400000000 ] - [ 0.0017741700000000, 0.0000000000000000, 0.0044097700000000 ] - [ 0.0005236900000000, -0.0000329400000000, 0.0006719800000000 ] - [ 0.0005236900000000, 0.0000329400000000, 0.0006719800000000 ] - [ -0.0005763100000000, -0.0001731100000000, -0.0003516900000000 ] - [ -0.0002645300000000, 0.0000000000000000, -0.0003058000000000 ] - [ -0.0005763100000000, 0.0001731100000000, -0.0003516900000000 ] - [ 0.0809010600000000, 0.0000000000000000, 0.0911718100000000 ] - [ 0.0008019000000000, -0.0002506400000000, 0.0005671800000000 ] - [ 0.0008019000000000, 0.0002506400000000, 0.0005671800000000 ] - [ -0.0011385600000000, -0.0000990900000000, 0.0000393500000000 ] - [ -0.0007340000000000, 0.0000000000000000, -0.0001945600000000 ] - [ -0.0011385600000000, 0.0000990900000000, 0.0000393500000000 ] - [ 0.0021995200000000, 0.0000000000000000, -0.0032359500000000 ] - [ 0.0003975000000000, -0.0001212500000000, -0.0000881100000000 ] - [ 0.0003975000000000, 0.0001212500000000, -0.0000881100000000 ] - [ -0.0010984300000000, -0.0000069400000000, 0.0000324600000000 ] - [ -0.0007958500000000, 0.0000000000000000, 0.0000362200000000 ] - [ -0.0010984300000000, 0.0000069400000000, 0.0000324600000000 ] - [ 0.0005105900000000, 0.0000000000000000, -0.0009130800000000 ] - [ 0.0007613600000000, -0.0001969100000000, -0.0009239800000000 ] - [ 0.0007613600000000, 0.0001969100000000, -0.0009239800000000 ] - [ 0.0003190800000000, -0.0009623500000000, 0.0001604600000000 ] - [ 0.0005669400000000, 0.0000000000000000, 0.0005779000000000 ] - [ 0.0003190800000000, 0.0009623500000000, 0.0001604600000000 ] - [ -0.0027108400000000, 0.0000000000000000, 0.0004274800000000 ] - [ 0.0002075600000000, -0.0004887100000000, 0.0001937300000000 ] - [ 0.0002075600000000, 0.0004887100000000, 0.0001937300000000 ] - [ -0.0018091000000000, -0.0031328700000000, -0.0000184400000000 ] - [ -0.0010115600000000, 0.0000000000000000, -0.0001522300000000 ] - [ -0.0018091000000000, 0.0031328700000000, -0.0000184400000000 ] - [ -0.0002839700000000, 0.0000000000000000, -0.0017501900000000 ] - [ 0.0017397200000000, -0.0004868300000000, -0.0002588700000000 ] - [ 0.0017397200000000, 0.0004868300000000, -0.0002588700000000 ] - [ -0.0012742000000000, -0.0003167300000000, 0.0006991100000000 ] - [ -0.0012234200000000, 0.0000000000000000, 0.0005238800000000 ] - [ -0.0012742000000000, 0.0003167300000000, 0.0006991100000000 ] - [ -0.0007558800000000, 0.0001171200000000, -0.0009025000000000 ] - [ -0.0004986600000000, 0.0000000000000000, -0.0002869400000000 ] - [ -0.0007558800000000, -0.0001171200000000, -0.0009025000000000 ] - [ -0.0005262400000000, 0.0000000000000000, -0.0023808900000000 ] - [ 0.0000896500000000, 0.0001461600000000, -0.0007602600000000 ] - [ 0.0000896500000000, -0.0001461600000000, -0.0007602600000000 ] - [ -0.0007517300000000, 0.0001779800000000, -0.0001576400000000 ] - [ -0.0003859300000000, 0.0000000000000000, -0.0002111400000000 ] - [ -0.0007517300000000, -0.0001779800000000, -0.0001576400000000 ] - [ 0.0023063700000000, 0.0000000000000000, 0.0044163000000000 ] - [ 0.0006789400000000, 0.0000168700000000, 0.0004442700000000 ] - [ 0.0006789400000000, -0.0000168700000000, 0.0004442700000000 ] - [ -0.0008843100000000, 0.0000666200000000, 0.0001320100000000 ] - [ -0.0005363400000000, 0.0000000000000000, 0.0000639300000000 ] - [ -0.0008843100000000, -0.0000666200000000, 0.0001320100000000 ] - [ -0.0233448800000000, 0.0000000000000000, -0.0044257000000000 ] - [ 0.0004275100000000, 0.0002520100000000, 0.0002290400000000 ] - [ 0.0004275100000000, -0.0002520100000000, 0.0002290400000000 ] - [ -0.0017117500000000, 0.0000101000000000, 0.0001533900000000 ] - [ -0.0014265000000000, 0.0000000000000000, 0.0001842200000000 ] - [ -0.0017117500000000, -0.0000101000000000, 0.0001533900000000 ] - [ 0.0034287000000000, 0.0000000000000000, -0.0027638300000000 ] - [ 0.0012379000000000, 0.0001105400000000, -0.0002572800000000 ] - [ 0.0012379000000000, -0.0001105400000000, -0.0002572800000000 ] - [ 0.0005916800000000, 0.0018008400000000, -0.0014206200000000 ] - [ 0.0009232100000000, 0.0000000000000000, -0.0009541900000000 ] - [ 0.0005916800000000, -0.0018008400000000, -0.0014206200000000 ] - [ 0.0000570400000000, 0.0000000000000000, 0.0006041900000000 ] - [ 0.0003681100000000, 0.0002376600000000, 0.0005850600000000 ] - [ 0.0003681100000000, -0.0002376600000000, 0.0005850600000000 ] - [ -0.0004663400000000, 0.0022192800000000, 0.0001369700000000 ] - [ 0.0001216400000000, 0.0000000000000000, 0.0000426300000000 ] - [ -0.0004663400000000, -0.0022192800000000, 0.0001369700000000 ] - [ -0.0021879800000000, 0.0000000000000000, 0.0002083900000000 ] - [ -0.0008898500000000, 0.0004506200000000, 0.0000561700000000 ] - [ -0.0008898500000000, -0.0004506200000000, 0.0000561700000000 ] - [ 0.0013876500000000, 0.0003787300000000, -0.0000551500000000 ] - [ 0.0014612900000000, 0.0000000000000000, -0.0001401600000000 ] - [ 0.0013876500000000, -0.0003787300000000, -0.0000551500000000 ] - [ -0.0034392200000000, 0.0000000000000000, -0.0012008000000000 ] - [ -0.0009664400000000, 0.0006132400000000, 0.0005044400000000 ] - [ -0.0009664400000000, -0.0006132400000000, 0.0005044400000000 ]- atom: 40 displacement: [ 0.0020604768976038, 0.0000000000000000, -0.0097854195083523 ] forces: - [ -0.0006028500000000, 0.0000000000000000, 0.0006965800000000 ] - [ 0.0001751900000000, -0.0002773100000000, 0.0001794500000000 ] - [ 0.0001751900000000, 0.0002773100000000, 0.0001794500000000 ] - [ -0.0011643200000000, -0.0011858600000000, -0.0011452300000000 ] - [ -0.0005954700000000, 0.0000000000000000, -0.0004355800000000 ] - [ -0.0011643200000000, 0.0011858600000000, -0.0011452300000000 ] - [ -0.0046295000000000, 0.0000000000000000, 0.0098308200000000 ] - [ 0.0016890200000000, -0.0014697000000000, 0.0007738700000000 ] - [ 0.0016890200000000, 0.0014697000000000, 0.0007738700000000 ] - [ -0.0020741700000000, -0.0010330600000000, 0.0002478700000000 ] - [ -0.0012931000000000, 0.0000000000000000, -0.0002296600000000 ] - [ -0.0020741700000000, 0.0010330600000000, 0.0002478700000000 ] - [ -0.0046381000000000, 0.0000000000000000, -0.0087837100000000 ] - [ -0.0005148800000000, -0.0010062600000000, -0.0005040100000000 ] - [ -0.0005148800000000, 0.0010062600000000, -0.0005040100000000 ] - [ -0.0015583500000000, -0.0002648900000000, 0.0004777100000000 ] - [ -0.0013146700000000, 0.0000000000000000, 0.0005121300000000 ] - [ -0.0015583500000000, 0.0002648900000000, 0.0004777100000000 ] - [ -0.0012313900000000, 0.0016066900000000, -0.0007647600000000 ] - [ -0.0002943700000000, 0.0000000000000000, -0.0001746400000000 ] - [ -0.0012313900000000, -0.0016066900000000, -0.0007647600000000 ] - [ -0.0009869400000000, 0.0000000000000000, -0.0006469200000000 ] - [ -0.0000494100000000, 0.0002807300000000, -0.0001675900000000 ] - [ -0.0000494100000000, -0.0002807300000000, -0.0001675900000000 ] - [ -0.0003141700000000, 0.0008182400000000, 0.0004300000000000 ] - [ 0.0003847700000000, 0.0000000000000000, 0.0000070400000000 ] - [ -0.0003141700000000, -0.0008182400000000, 0.0004300000000000 ] - [ -0.0104590300000000, 0.0000000000000000, 0.0104706800000000 ] - [ -0.0001040100000000, 0.0010663200000000, 0.0003857100000000 ] - [ -0.0001040100000000, -0.0010663200000000, 0.0003857100000000 ] - [ -0.0026292800000000, 0.0003244400000000, -0.0005512900000000 ] - [ -0.0023346800000000, 0.0000000000000000, -0.0002860000000000 ] - [ -0.0026292800000000, -0.0003244400000000, -0.0005512900000000 ] - [ -0.0010204800000000, 0.0000000000000000, -0.0106664600000000 ] - [ 0.0007710900000000, 0.0012465900000000, 0.0002635200000000 ] - [ 0.0007710900000000, -0.0012465900000000, 0.0002635200000000 ] - [ -0.0003908300000000, -0.0000083000000000, -0.0002383300000000 ] - [ -0.0001791000000000, 0.0000000000000000, -0.0000675600000000 ] - [ -0.0003908300000000, 0.0000083000000000, -0.0002383300000000 ] - [ 0.0658833100000000, 0.0000000000000000, 0.0875181800000000 ] - [ 0.0007004800000000, -0.0000405000000000, 0.0007998800000000 ] - [ 0.0007004800000000, 0.0000405000000000, 0.0007998800000000 ] - [ 0.0010885200000000, 0.0000000000000000, -0.0033978700000000 ] - [ 0.0003252600000000, 0.0000023700000000, -0.0008955400000000 ] - [ 0.0003252600000000, -0.0000023700000000, -0.0008955400000000 ] - [ 0.0022730000000000, 0.0000000000000000, 0.0001894000000000 ] - [ 0.0005646200000000, 0.0000616400000000, 0.0002700500000000 ] - [ 0.0005646200000000, -0.0000616400000000, 0.0002700500000000 ] - [ 0.0036472500000000, 0.0000000000000000, 0.0004290400000000 ] - [ 0.0009962900000000, -0.0000832100000000, 0.0007976600000000 ] - [ 0.0009962900000000, 0.0000832100000000, 0.0007976600000000 ] - [ -0.0006784400000000, -0.0000057400000000, -0.0003240700000000 ] - [ -0.0004869900000000, 0.0000000000000000, -0.0001860100000000 ] - [ -0.0006784400000000, 0.0000057400000000, -0.0003240700000000 ] - [ -0.0001481000000000, -0.0000002200000000, 0.0002107700000000 ] - [ -0.0001036800000000, 0.0000000000000000, 0.0001318000000000 ] - [ -0.0001481000000000, 0.0000002200000000, 0.0002107700000000 ] - [ -0.0008075400000000, 0.0000091500000000, -0.0006633200000000 ] - [ -0.0006044600000000, 0.0000000000000000, -0.0005227300000000 ] - [ -0.0008075400000000, -0.0000091500000000, -0.0006633200000000 ] - [ -0.0005482200000000, 0.0000000000000000, -0.0007172100000000 ] - [ -0.0003556100000000, 0.0000948000000000, 0.0002458600000000 ] - [ -0.0003556100000000, -0.0000948000000000, 0.0002458600000000 ] - [ 0.0004251200000000, 0.0000921100000000, 0.0002931800000000 ] - [ 0.0002350400000000, 0.0000000000000000, -0.0001929700000000 ] - [ 0.0004251200000000, -0.0000921100000000, 0.0002931800000000 ] - [ -0.0016231700000000, 0.0000000000000000, -0.0045402500000000 ] - [ -0.0003892300000000, 0.0000345700000000, -0.0007042900000000 ] - [ -0.0003892300000000, -0.0000345700000000, -0.0007042900000000 ] - [ 0.0009518900000000, 0.0001767600000000, 0.0001728300000000 ] - [ 0.0006293700000000, 0.0000000000000000, 0.0001329400000000 ] - [ 0.0009518900000000, -0.0001767600000000, 0.0001728300000000 ] - [ -0.0772891500000000, 0.0000000000000000, -0.0907274800000000 ] - [ -0.0005956800000000, 0.0002554100000000, -0.0001206700000000 ] - [ -0.0005956800000000, -0.0002554100000000, -0.0001206700000000 ] - [ 0.0008677000000000, 0.0000996000000000, -0.0002767300000000 ] - [ 0.0004610000000000, 0.0000000000000000, -0.0000416200000000 ] - [ 0.0008677000000000, -0.0000996000000000, -0.0002767300000000 ] - [ -0.0034705800000000, 0.0000000000000000, 0.0034984300000000 ] - [ -0.0016418400000000, 0.0001203100000000, 0.0003774100000000 ] - [ -0.0016418400000000, -0.0001203100000000, 0.0003774100000000 ] - [ 0.0012834000000000, 0.0000079800000000, -0.0000916700000000 ] - [ 0.0009771600000000, 0.0000000000000000, -0.0000968300000000 ] - [ 0.0012834000000000, -0.0000079800000000, -0.0000916700000000 ] - [ 0.0014154500000000, 0.0000000000000000, -0.0009350600000000 ] - [ 0.0011552400000000, 0.0001983000000000, -0.0009245200000000 ] - [ 0.0011552400000000, -0.0001983000000000, -0.0009245200000000 ] - [ 0.0007707100000000, 0.0009917600000000, 0.0010744800000000 ] - [ 0.0005288800000000, 0.0000000000000000, 0.0006472600000000 ] - [ 0.0007707100000000, -0.0009917600000000, 0.0010744800000000 ] - [ 0.0033409200000000, 0.0000000000000000, -0.0003314100000000 ] - [ 0.0004442800000000, 0.0004929400000000, -0.0000962100000000 ] - [ 0.0004442800000000, -0.0004929400000000, -0.0000962100000000 ] - [ 0.0002545100000000, 0.0031607500000000, -0.0000989700000000 ] - [ -0.0005551500000000, 0.0000000000000000, 0.0000330500000000 ] - [ 0.0002545100000000, -0.0031607500000000, -0.0000989700000000 ] - [ 0.0036365000000000, 0.0000000000000000, 0.0014853100000000 ] - [ 0.0015271800000000, 0.0004981000000000, -0.0000639300000000 ] - [ 0.0015271800000000, -0.0004981000000000, -0.0000639300000000 ] - [ -0.0008052600000000, 0.0003275500000000, 0.0002976200000000 ] - [ -0.0008588500000000, 0.0000000000000000, 0.0004737600000000 ] - [ -0.0008052600000000, -0.0003275500000000, 0.0002976200000000 ] - [ 0.0002526600000000, -0.0001185000000000, 0.0010927100000000 ] - [ -0.0000104300000000, 0.0000000000000000, 0.0004676400000000 ] - [ 0.0002526600000000, 0.0001185000000000, 0.0010927100000000 ] - [ 0.0005296600000000, 0.0000000000000000, 0.0012783900000000 ] - [ -0.0000844900000000, -0.0001484200000000, -0.0003352300000000 ] - [ -0.0000844900000000, 0.0001484200000000, -0.0003352300000000 ] - [ 0.0009018800000000, -0.0001802400000000, 0.0001402000000000 ] - [ 0.0005285300000000, 0.0000000000000000, 0.0001976400000000 ] - [ 0.0009018800000000, 0.0001802400000000, 0.0001402000000000 ] - [ -0.0019113000000000, 0.0000000000000000, -0.0046363700000000 ] - [ -0.0003226600000000, -0.0000191400000000, -0.0006293800000000 ] - [ -0.0003226600000000, 0.0000191400000000, -0.0006293800000000 ] - [ 0.0011180000000000, -0.0000673800000000, 0.0003218100000000 ] - [ 0.0007669500000000, 0.0000000000000000, 0.0003896700000000 ] - [ 0.0011180000000000, 0.0000673800000000, 0.0003218100000000 ] - [ 0.0235883800000000, 0.0000000000000000, 0.0042308300000000 ] - [ -0.0007233600000000, -0.0002536300000000, -0.0004716100000000 ] - [ -0.0007233600000000, 0.0002536300000000, -0.0004716100000000 ] - [ 0.0005055800000000, -0.0000098700000000, 0.0001328700000000 ] - [ 0.0002134100000000, 0.0000000000000000, 0.0001007500000000 ] - [ 0.0005055800000000, 0.0000098700000000, 0.0001328700000000 ] - [ -0.0032971300000000, 0.0000000000000000, 0.0027161700000000 ] - [ -0.0010888200000000, -0.0001119700000000, 0.0002003800000000 ] - [ -0.0010888200000000, 0.0001119700000000, 0.0002003800000000 ] - [ 0.0013255300000000, -0.0018203900000000, -0.0004241700000000 ] - [ 0.0009914700000000, 0.0000000000000000, -0.0008956000000000 ] - [ 0.0013255300000000, 0.0018203900000000, -0.0004241700000000 ] - [ 0.0010511400000000, 0.0000000000000000, 0.0006215400000000 ] - [ 0.0007310800000000, -0.0002421700000000, 0.0006395900000000 ] - [ 0.0007310800000000, 0.0002421700000000, 0.0006395900000000 ] - [ 0.0011277000000000, -0.0022507700000000, -0.0000402000000000 ] - [ 0.0005317300000000, 0.0000000000000000, 0.0000556400000000 ] - [ 0.0011277000000000, 0.0022507700000000, -0.0000402000000000 ] - [ 0.0006462800000000, 0.0000000000000000, -0.0003263100000000 ] - [ -0.0006782400000000, -0.0004568300000000, -0.0001743300000000 ] - [ -0.0006782400000000, 0.0004568300000000, -0.0001743300000000 ] - [ 0.0018882400000000, -0.0003899200000000, -0.0002676700000000 ] - [ 0.0018112900000000, 0.0000000000000000, -0.0001819200000000 ] - [ 0.0018882400000000, 0.0003899200000000, -0.0002676700000000 ] - [ 0.0013810700000000, 0.0000000000000000, 0.0022170600000000 ] - [ -0.0011194200000000, -0.0006234400000000, 0.0004925300000000 ] - [ -0.0011194200000000, 0.0006234400000000, 0.0004925300000000 ]- atom: 43 displacement: [ 0.0099999983408567, 0.0000000000000000, 0.0000057604567923 ] forces: - [ 0.0017162300000000, 0.0000000000000000, 0.0052906200000000 ] - [ 0.0001363600000000, 0.0004275500000000, 0.0005348800000000 ] - [ 0.0001363600000000, -0.0004275500000000, 0.0005348800000000 ] - [ 0.0010954100000000, 0.0004345300000000, -0.0004512300000000 ] - [ 0.0003204500000000, 0.0000000000000000, -0.0001002900000000 ] - [ 0.0010954100000000, -0.0004345300000000, -0.0004512300000000 ] - [ 0.0013005700000000, 0.0000000000000000, -0.0014751600000000 ] - [ 0.0008200000000000, 0.0001398100000000, -0.0003032300000000 ] - [ 0.0008200000000000, -0.0001398100000000, -0.0003032300000000 ] - [ -0.0003302200000000, 0.0001682900000000, -0.0001377200000000 ] - [ -0.0003298800000000, 0.0000000000000000, -0.0001802800000000 ] - [ -0.0003302200000000, -0.0001682900000000, -0.0001377200000000 ] - [ 0.0159109700000000, 0.0000000000000000, -0.0101272600000000 ] - [ -0.0019467400000000, 0.0016251700000000, -0.0002395400000000 ] - [ -0.0019467400000000, -0.0016251700000000, -0.0002395400000000 ] - [ 0.0007337600000000, 0.0004791100000000, 0.0008859400000000 ] - [ 0.0003771300000000, 0.0000000000000000, 0.0007000400000000 ] - [ 0.0007337600000000, -0.0004791100000000, 0.0008859400000000 ] - [ 0.0016398000000000, -0.0005484600000000, -0.0001637800000000 ] - [ 0.0006543400000000, 0.0000000000000000, 0.0001416400000000 ] - [ 0.0016398000000000, 0.0005484600000000, -0.0001637800000000 ] - [ 0.0007165100000000, 0.0000000000000000, 0.0056587900000000 ] - [ -0.0002839400000000, -0.0003827000000000, 0.0002632700000000 ] - [ -0.0002839400000000, 0.0003827000000000, 0.0002632700000000 ] - [ 0.0014514700000000, -0.0001863200000000, 0.0000848000000000 ] - [ 0.0014014200000000, 0.0000000000000000, 0.0000872700000000 ] - [ 0.0014514700000000, 0.0001863200000000, 0.0000848000000000 ] - [ 0.0006687900000000, 0.0000000000000000, -0.0026858300000000 ] - [ -0.0007747000000000, -0.0001660600000000, -0.0005944500000000 ] - [ -0.0007747000000000, 0.0001660600000000, -0.0005944500000000 ] - [ -0.0003900100000000, -0.0004597900000000, 0.0002280400000000 ] - [ -0.0007397200000000, 0.0000000000000000, 0.0000059800000000 ] - [ -0.0003900100000000, 0.0004597900000000, 0.0002280400000000 ] - [ 0.0151505100000000, 0.0000000000000000, -0.0071156900000000 ] - [ -0.0010792500000000, -0.0015162100000000, 0.0004409700000000 ] - [ -0.0010792500000000, 0.0015162100000000, 0.0004409700000000 ] - [ 0.0007951900000000, 0.0000014200000000, 0.0006977600000000 ] - [ 0.0006739600000000, 0.0000000000000000, 0.0006041900000000 ] - [ 0.0007951900000000, -0.0000014200000000, 0.0006977600000000 ] - [ -0.0007918400000000, 0.0000000000000000, -0.0010425100000000 ] - [ -0.0004396600000000, 0.0000041100000000, -0.0001937200000000 ] - [ -0.0004396600000000, -0.0000041100000000, -0.0001937200000000 ] - [ -0.0774307600000000, 0.0000000000000000, 0.0221087200000000 ] - [ -0.0002869300000000, 0.0000298500000000, 0.0005016100000000 ] - [ -0.0002869300000000, -0.0000298500000000, 0.0005016100000000 ] - [ -0.0096650900000000, 0.0000000000000000, 0.0050649200000000 ] - [ -0.0006449000000000, -0.0000341100000000, -0.0005022600000000 ] - [ -0.0006449000000000, 0.0000341100000000, -0.0005022600000000 ] - [ -0.0177220300000000, 0.0000000000000000, 0.0128091500000000 ] - [ -0.0002565000000000, 0.0000499700000000, -0.0000816900000000 ] - [ -0.0002565000000000, -0.0000499700000000, -0.0000816900000000 ] - [ 0.0004491200000000, 0.0000029300000000, 0.0004716100000000 ] - [ 0.0003486200000000, 0.0000000000000000, 0.0004052100000000 ] - [ 0.0004491200000000, -0.0000029300000000, 0.0004716100000000 ] - [ 0.0002358800000000, 0.0000008000000000, -0.0005968500000000 ] - [ 0.0001882500000000, 0.0000000000000000, -0.0005019500000000 ] - [ 0.0002358800000000, -0.0000008000000000, -0.0005968500000000 ] - [ 0.0003558500000000, -0.0000006400000000, 0.0001458500000000 ] - [ 0.0002355700000000, 0.0000000000000000, 0.0000658400000000 ] - [ 0.0003558500000000, 0.0000006400000000, 0.0001458500000000 ] - [ -0.0047360500000000, 0.0000000000000000, -0.0034869300000000 ] - [ -0.0003174400000000, -0.0002121200000000, -0.0002826200000000 ] - [ -0.0003174400000000, 0.0002121200000000, -0.0002826200000000 ] - [ -0.0003583000000000, -0.0001140500000000, -0.0009590300000000 ] - [ -0.0001814600000000, 0.0000000000000000, -0.0007892200000000 ] - [ -0.0003583000000000, 0.0001140500000000, -0.0009590300000000 ] - [ 0.0040445400000000, 0.0000000000000000, 0.0014020600000000 ] - [ 0.0005252500000000, -0.0000095200000000, 0.0001634200000000 ] - [ 0.0005252500000000, 0.0000095200000000, 0.0001634200000000 ] - [ -0.0003917800000000, -0.0000467100000000, -0.0000241200000000 ] - [ -0.0001691200000000, 0.0000000000000000, -0.0001558300000000 ] - [ -0.0003917800000000, 0.0000467100000000, -0.0000241200000000 ] - [ -0.0006413500000000, 0.0000000000000000, 0.0023944400000000 ] - [ 0.0004835700000000, -0.0000996500000000, 0.0006619400000000 ] - [ 0.0004835700000000, 0.0000996500000000, 0.0006619400000000 ] - [ -0.0006047400000000, -0.0000552200000000, -0.0003461400000000 ] - [ -0.0005051700000000, 0.0000000000000000, -0.0002549900000000 ] - [ -0.0006047400000000, 0.0000552200000000, -0.0003461400000000 ] - [ 0.0585613400000000, 0.0000000000000000, -0.0439120800000000 ] - [ 0.0002879000000000, -0.0002419000000000, -0.0000576200000000 ] - [ 0.0002879000000000, 0.0002419000000000, -0.0000576200000000 ] - [ -0.0008019400000000, -0.0000175000000000, 0.0000390600000000 ] - [ -0.0005657700000000, 0.0000000000000000, 0.0000271000000000 ] - [ -0.0008019400000000, 0.0000175000000000, 0.0000390600000000 ] - [ 0.0000982300000000, 0.0000000000000000, -0.0010075300000000 ] - [ 0.0007877200000000, -0.0002018400000000, -0.0009518800000000 ] - [ 0.0007877200000000, 0.0002018400000000, -0.0009518800000000 ] - [ -0.0006221100000000, -0.0021715600000000, 0.0011110100000000 ] - [ 0.0003747400000000, 0.0000000000000000, 0.0006942300000000 ] - [ -0.0006221100000000, 0.0021715600000000, 0.0011110100000000 ] - [ 0.0003057400000000, 0.0000000000000000, -0.0002528100000000 ] - [ 0.0003273500000000, -0.0001392400000000, 0.0000019700000000 ] - [ 0.0003273500000000, 0.0001392400000000, 0.0000019700000000 ] - [ -0.0008277000000000, -0.0001375800000000, 0.0001269100000000 ] - [ -0.0008276200000000, 0.0000000000000000, -0.0000021600000000 ] - [ -0.0008277000000000, 0.0001375800000000, 0.0001269100000000 ] - [ 0.0010725200000000, 0.0000000000000000, 0.0000150700000000 ] - [ 0.0015272900000000, -0.0003348800000000, 0.0000059900000000 ] - [ 0.0015272900000000, 0.0003348800000000, 0.0000059900000000 ] - [ -0.0012900500000000, -0.0006225600000000, 0.0002045500000000 ] - [ -0.0011869100000000, 0.0000000000000000, 0.0004005900000000 ] - [ -0.0012900500000000, 0.0006225600000000, 0.0002045500000000 ] - [ -0.0006282500000000, 0.0001035700000000, -0.0004168200000000 ] - [ -0.0004329100000000, 0.0000000000000000, -0.0001418900000000 ] - [ -0.0006282500000000, -0.0001035700000000, -0.0004168200000000 ] - [ -0.0038982500000000, 0.0000000000000000, -0.0048280200000000 ] - [ -0.0000197800000000, 0.0002192600000000, -0.0008412900000000 ] - [ -0.0000197800000000, -0.0002192600000000, -0.0008412900000000 ] - [ -0.0005349900000000, 0.0000477600000000, 0.0000557600000000 ] - [ -0.0002843000000000, 0.0000000000000000, -0.0000895400000000 ] - [ -0.0005349900000000, -0.0000477600000000, 0.0000557600000000 ] - [ 0.0074309600000000, 0.0000000000000000, 0.0028865100000000 ] - [ 0.0006691800000000, 0.0000040100000000, 0.0001221800000000 ] - [ 0.0006691800000000, -0.0000040100000000, 0.0001221800000000 ] - [ -0.0004426900000000, 0.0000377200000000, 0.0000034800000000 ] - [ -0.0003133700000000, 0.0000000000000000, 0.0000712500000000 ] - [ -0.0004426900000000, -0.0000377200000000, 0.0000034800000000 ] - [ -0.0017190700000000, 0.0000000000000000, 0.0032337300000000 ] - [ 0.0001248600000000, 0.0001217400000000, 0.0003491200000000 ] - [ 0.0001248600000000, -0.0001217400000000, 0.0003491200000000 ] - [ -0.0014247700000000, 0.0000159300000000, 0.0001947400000000 ] - [ -0.0012124300000000, 0.0000000000000000, 0.0001878300000000 ] - [ -0.0014247700000000, -0.0000159300000000, 0.0001947400000000 ] - [ 0.0146135800000000, 0.0000000000000000, 0.0129160600000000 ] - [ 0.0010546300000000, 0.0002068100000000, -0.0002666600000000 ] - [ 0.0010546300000000, -0.0002068100000000, -0.0002666600000000 ] - [ -0.0001925700000000, 0.0023348500000000, -0.0005515500000000 ] - [ 0.0007761800000000, 0.0000000000000000, -0.0008764700000000 ] - [ -0.0001925700000000, -0.0023348500000000, -0.0005515500000000 ] - [ -0.0001734800000000, 0.0000000000000000, 0.0005527500000000 ] - [ 0.0003984200000000, 0.0002335000000000, 0.0005821400000000 ] - [ 0.0003984200000000, -0.0002335000000000, 0.0005821400000000 ] - [ 0.0002225700000000, 0.0002290000000000, 0.0002518600000000 ] - [ 0.0002526500000000, 0.0000000000000000, 0.0001044600000000 ] - [ 0.0002225700000000, -0.0002290000000000, 0.0002518600000000 ] - [ -0.0008288700000000, 0.0000000000000000, -0.0001858700000000 ] - [ -0.0008103100000000, 0.0001567900000000, -0.0000859000000000 ] - [ -0.0008103100000000, -0.0001567900000000, -0.0000859000000000 ] - [ 0.0013763700000000, 0.0005534000000000, -0.0003974500000000 ] - [ 0.0014951500000000, 0.0000000000000000, -0.0002240100000000 ] - [ 0.0013763700000000, -0.0005534000000000, -0.0003974500000000 ] - [ -0.0017109400000000, 0.0000000000000000, 0.0009380000000000 ] - [ -0.0011090000000000, 0.0003819000000000, 0.0006516000000000 ] - [ -0.0011090000000000, -0.0003819000000000, 0.0006516000000000 ]- atom: 43 displacement: [ -0.0099999983408567, 0.0000000000000000, -0.0000057604567923 ] forces: - [ -0.0013311300000000, 0.0000000000000000, -0.0050933500000000 ] - [ 0.0002243500000000, -0.0004238500000000, -0.0003511900000000 ] - [ 0.0002243500000000, 0.0004238500000000, -0.0003511900000000 ] - [ -0.0014256600000000, -0.0004332300000000, 0.0001992700000000 ] - [ -0.0006423100000000, 0.0000000000000000, -0.0001542600000000 ] - [ -0.0014256600000000, 0.0004332300000000, 0.0001992700000000 ] - [ 0.0007488600000000, 0.0000000000000000, 0.0015925500000000 ] - [ 0.0012521700000000, -0.0001387500000000, 0.0003901200000000 ] - [ 0.0012521700000000, 0.0001387500000000, 0.0003901200000000 ] - [ -0.0009499700000000, -0.0001677000000000, -0.0003106100000000 ] - [ -0.0009556100000000, 0.0000000000000000, -0.0002744500000000 ] - [ -0.0009499700000000, 0.0001677000000000, -0.0003106100000000 ] - [ -0.0189058100000000, 0.0000000000000000, 0.0096726600000000 ] - [ -0.0008951300000000, -0.0016397000000000, -0.0000230400000000 ] - [ -0.0008951300000000, 0.0016397000000000, -0.0000230400000000 ] - [ -0.0014466200000000, -0.0004795300000000, 0.0002647400000000 ] - [ -0.0010879500000000, 0.0000000000000000, 0.0004525600000000 ] - [ -0.0014466200000000, 0.0004795300000000, 0.0002647400000000 ] - [ -0.0012751500000000, 0.0005514400000000, 0.0003539200000000 ] - [ -0.0002868600000000, 0.0000000000000000, 0.0000502000000000 ] - [ -0.0012751500000000, -0.0005514400000000, 0.0003539200000000 ] - [ -0.0010699700000000, 0.0000000000000000, -0.0059429800000000 ] - [ -0.0000301000000000, 0.0003878100000000, -0.0005133500000000 ] - [ -0.0000301000000000, -0.0003878100000000, -0.0005133500000000 ] - [ 0.0006186600000000, 0.0001907500000000, -0.0000075900000000 ] - [ 0.0006707300000000, 0.0000000000000000, -0.0000092800000000 ] - [ 0.0006186600000000, -0.0001907500000000, -0.0000075900000000 ] - [ -0.0019357500000000, 0.0000000000000000, 0.0021961400000000 ] - [ -0.0004999800000000, 0.0001681900000000, 0.0001417800000000 ] - [ -0.0004999800000000, -0.0001681900000000, 0.0001417800000000 ] - [ -0.0024588200000000, 0.0004658400000000, -0.0004840400000000 ] - [ -0.0021036600000000, 0.0000000000000000, -0.0002642700000000 ] - [ -0.0024588200000000, -0.0004658400000000, -0.0004840400000000 ] - [ -0.0158503500000000, 0.0000000000000000, 0.0083791300000000 ] - [ 0.0003747000000000, 0.0015189900000000, 0.0007137000000000 ] - [ 0.0003747000000000, -0.0015189900000000, 0.0007137000000000 ] - [ -0.0001528800000000, -0.0000014400000000, -0.0000443200000000 ] - [ -0.0000303900000000, 0.0000000000000000, 0.0000504900000000 ] - [ -0.0001528800000000, 0.0000014400000000, -0.0000443200000000 ] - [ 0.0008157700000000, 0.0000000000000000, 0.0013913100000000 ] - [ 0.0004631100000000, -0.0000045600000000, 0.0005317600000000 ] - [ 0.0004631100000000, 0.0000045600000000, 0.0005317600000000 ] - [ 0.0782582600000000, 0.0000000000000000, -0.0218054800000000 ] - [ 0.0004109100000000, -0.0000314700000000, -0.0009551600000000 ] - [ 0.0004109100000000, 0.0000314700000000, -0.0009551600000000 ] - [ 0.0095966800000000, 0.0000000000000000, -0.0054486800000000 ] - [ 0.0004224400000000, 0.0000341400000000, 0.0001490400000000 ] - [ 0.0004224400000000, -0.0000341400000000, 0.0001490400000000 ] - [ 0.0181939000000000, 0.0000000000000000, -0.0122012100000000 ] - [ 0.0009065100000000, -0.0000512600000000, 0.0007411500000000 ] - [ 0.0009065100000000, 0.0000512600000000, 0.0007411500000000 ] - [ -0.0004311100000000, -0.0000030100000000, -0.0001375900000000 ] - [ -0.0003309500000000, 0.0000000000000000, -0.0000718800000000 ] - [ -0.0004311100000000, 0.0000030100000000, -0.0001375900000000 ] - [ -0.0001142500000000, -0.0000008200000000, 0.0001495200000000 ] - [ -0.0000664600000000, 0.0000000000000000, 0.0000542200000000 ] - [ -0.0001142500000000, 0.0000008200000000, 0.0001495200000000 ] - [ -0.0005816900000000, 0.0000006200000000, -0.0005011900000000 ] - [ -0.0004606000000000, 0.0000000000000000, -0.0004208900000000 ] - [ -0.0005816900000000, -0.0000006200000000, -0.0005011900000000 ] - [ 0.0042216800000000, 0.0000000000000000, 0.0037416300000000 ] - [ -0.0001892700000000, 0.0002122900000000, 0.0004770200000000 ] - [ -0.0001892700000000, -0.0002122900000000, 0.0004770200000000 ] - [ 0.0003689200000000, 0.0001138300000000, -0.0001276300000000 ] - [ 0.0001877700000000, 0.0000000000000000, -0.0003161900000000 ] - [ 0.0003689200000000, -0.0001138300000000, -0.0001276300000000 ] - [ -0.0039608400000000, 0.0000000000000000, -0.0014678400000000 ] - [ -0.0003852300000000, 0.0000092600000000, -0.0001889500000000 ] - [ -0.0003852300000000, -0.0000092600000000, -0.0001889500000000 ] - [ 0.0007585500000000, 0.0000469100000000, -0.0001574800000000 ] - [ 0.0005296300000000, 0.0000000000000000, -0.0000204900000000 ] - [ 0.0007585500000000, -0.0000469100000000, -0.0001574800000000 ] - [ 0.0009061700000000, 0.0000000000000000, -0.0019858900000000 ] - [ -0.0002661400000000, 0.0001010900000000, -0.0002147400000000 ] - [ -0.0002661400000000, -0.0001010900000000, -0.0002147400000000 ] - [ 0.0003237700000000, 0.0000553900000000, 0.0001069200000000 ] - [ 0.0002253000000000, 0.0000000000000000, 0.0000173100000000 ] - [ 0.0003237700000000, -0.0000553900000000, 0.0001069200000000 ] - [ -0.0599189400000000, 0.0000000000000000, 0.0436641500000000 ] - [ -0.0015176800000000, 0.0002452900000000, 0.0003454500000000 ] - [ -0.0015176800000000, -0.0002452900000000, 0.0003454500000000 ] - [ 0.0009712500000000, 0.0000180500000000, -0.0000978700000000 ] - [ 0.0007363700000000, 0.0000000000000000, -0.0000871100000000 ] - [ 0.0009712500000000, -0.0000180500000000, -0.0000978700000000 ] - [ 0.0018129000000000, 0.0000000000000000, -0.0008417500000000 ] - [ 0.0011264800000000, 0.0001985300000000, -0.0008969100000000 ] - [ 0.0011264800000000, -0.0001985300000000, -0.0008969100000000 ] - [ 0.0017319300000000, 0.0021952200000000, 0.0001165700000000 ] - [ 0.0007244700000000, 0.0000000000000000, 0.0005298300000000 ] - [ 0.0017319300000000, -0.0021952200000000, 0.0001165700000000 ] - [ 0.0003458400000000, 0.0000000000000000, 0.0003429800000000 ] - [ 0.0003229600000000, 0.0001384700000000, 0.0000964700000000 ] - [ 0.0003229600000000, -0.0001384700000000, 0.0000964700000000 ] - [ -0.0007389900000000, 0.0001363500000000, -0.0002454400000000 ] - [ -0.0007412800000000, 0.0000000000000000, -0.0001182700000000 ] - [ -0.0007389900000000, -0.0001363500000000, -0.0002454400000000 ] - [ 0.0021995400000000, 0.0000000000000000, -0.0003435400000000 ] - [ 0.0017440600000000, 0.0003384000000000, -0.0003301600000000 ] - [ 0.0017440600000000, -0.0003384000000000, -0.0003301600000000 ] - [ -0.0007954500000000, 0.0006205400000000, 0.0007911400000000 ] - [ -0.0008978200000000, 0.0000000000000000, 0.0005966800000000 ] - [ -0.0007954500000000, -0.0006205400000000, 0.0007911400000000 ] - [ 0.0001191300000000, -0.0001042300000000, 0.0005944400000000 ] - [ -0.0000795100000000, 0.0000000000000000, 0.0003169700000000 ] - [ 0.0001191300000000, 0.0001042300000000, 0.0005944400000000 ] - [ 0.0039316400000000, 0.0000000000000000, 0.0036976700000000 ] - [ 0.0000254500000000, -0.0002204500000000, -0.0002556900000000 ] - [ 0.0000254500000000, 0.0002204500000000, -0.0002556900000000 ] - [ 0.0006748200000000, -0.0000481900000000, -0.0000760400000000 ] - [ 0.0004208200000000, 0.0000000000000000, 0.0000732500000000 ] - [ 0.0006748200000000, 0.0000481900000000, -0.0000760400000000 ] - [ -0.0069915700000000, 0.0000000000000000, -0.0029814100000000 ] - [ -0.0003114800000000, -0.0000039800000000, -0.0003031500000000 ] - [ -0.0003114800000000, 0.0000039800000000, -0.0003031500000000 ] - [ 0.0006639300000000, -0.0000378300000000, 0.0004500600000000 ] - [ 0.0005356000000000, 0.0000000000000000, 0.0003807900000000 ] - [ 0.0006639300000000, 0.0000378300000000, 0.0004500600000000 ] - [ 0.0014203600000000, 0.0000000000000000, -0.0034646200000000 ] - [ -0.0004118700000000, -0.0001215600000000, -0.0005890100000000 ] - [ -0.0004118700000000, 0.0001215600000000, -0.0005890100000000 ] - [ 0.0002050900000000, -0.0000157500000000, 0.0000919300000000 ] - [ -0.0000105900000000, 0.0000000000000000, 0.0000976300000000 ] - [ 0.0002050900000000, 0.0000157500000000, 0.0000919300000000 ] - [ -0.0149562700000000, 0.0000000000000000, -0.0130721700000000 ] - [ -0.0008941200000000, -0.0002062800000000, 0.0002104000000000 ] - [ -0.0008941200000000, 0.0002062800000000, 0.0002104000000000 ] - [ 0.0021055000000000, -0.0023348500000000, -0.0013025000000000 ] - [ 0.0011376700000000, 0.0000000000000000, -0.0009738200000000 ] - [ 0.0021055000000000, 0.0023348500000000, -0.0013025000000000 ] - [ 0.0012769400000000, 0.0000000000000000, 0.0006732100000000 ] - [ 0.0006977800000000, -0.0002363800000000, 0.0006423000000000 ] - [ 0.0006977800000000, 0.0002363800000000, 0.0006423000000000 ] - [ 0.0004262000000000, -0.0002320100000000, -0.0001559300000000 ] - [ 0.0003974200000000, 0.0000000000000000, -0.0000069100000000 ] - [ 0.0004262000000000, 0.0002320100000000, -0.0001559300000000 ] - [ -0.0007347800000000, 0.0000000000000000, 0.0000737200000000 ] - [ -0.0007598100000000, -0.0001579500000000, -0.0000309300000000 ] - [ -0.0007598100000000, 0.0001579500000000, -0.0000309300000000 ] - [ 0.0018959300000000, -0.0005640600000000, 0.0000778100000000 ] - [ 0.0017746100000000, 0.0000000000000000, -0.0000977000000000 ] - [ 0.0018959300000000, 0.0005640600000000, 0.0000778100000000 ] - [ -0.0003733800000000, 0.0000000000000000, 0.0000599400000000 ] - [ -0.0009762500000000, -0.0003855800000000, 0.0003447100000000 ] - [ -0.0009762500000000, 0.0003855800000000, 0.0003447100000000 ]- atom: 43 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0001728900000000, -0.0005288800000000, 0.0000742800000000 ] - [ 0.0005683500000000, 0.0002004000000000, 0.0004117700000000 ] - [ -0.0001951500000000, 0.0002048400000000, -0.0002164700000000 ] - [ 0.0000445700000000, -0.0001823900000000, -0.0001669200000000 ] - [ -0.0001561700000000, 0.0002143000000000, -0.0001261500000000 ] - [ -0.0003551400000000, -0.0001730700000000, -0.0000854300000000 ] - [ 0.0010263400000000, -0.0001293100000000, 0.0000420600000000 ] - [ 0.0011844400000000, 0.0000963900000000, 0.0001910600000000 ] - [ 0.0008934800000000, 0.0000996600000000, -0.0001070100000000 ] - [ -0.0006270700000000, -0.0000714200000000, -0.0002166200000000 ] - [ -0.0006403600000000, 0.0001398600000000, -0.0002275800000000 ] - [ -0.0006511400000000, -0.0000653700000000, -0.0002375600000000 ] - [ -0.0014538800000000, -0.0029945400000000, -0.0001306400000000 ] - [ -0.0003953200000000, 0.0006315600000000, -0.0005780700000000 ] - [ -0.0024231200000000, 0.0006294500000000, 0.0003126100000000 ] - [ -0.0003128100000000, -0.0000942900000000, 0.0005987800000000 ] - [ -0.0003539800000000, 0.0001618300000000, 0.0005774500000000 ] - [ -0.0003996000000000, -0.0000833700000000, 0.0005557100000000 ] - [ -0.0000603300000000, -0.0001584500000000, 0.0001353600000000 ] - [ 0.0001817500000000, 0.0002446100000000, 0.0000957100000000 ] - [ 0.0004201300000000, -0.0001510800000000, 0.0000535100000000 ] - [ -0.0001516000000000, -0.0006411000000000, -0.0001151700000000 ] - [ -0.0005915800000000, 0.0002283500000000, -0.0004456300000000 ] - [ 0.0002657200000000, 0.0002320600000000, 0.0001919400000000 ] - [ 0.0010121400000000, -0.0000828900000000, 0.0000356800000000 ] - [ 0.0010353600000000, 0.0001660400000000, 0.0000398900000000 ] - [ 0.0010597600000000, -0.0000765600000000, 0.0000461500000000 ] - [ -0.0006341600000000, -0.0001333700000000, -0.0002261300000000 ] - [ -0.0007860200000000, 0.0000942600000000, -0.0004109200000000 ] - [ -0.0004958100000000, 0.0000987800000000, -0.0000455000000000 ] - [ -0.0014895600000000, -0.0000991500000000, -0.0001637500000000 ] - [ -0.0014215300000000, 0.0001867500000000, -0.0001298800000000 ] - [ -0.0013537100000000, -0.0000933000000000, -0.0000931100000000 ] - [ -0.0003444600000000, -0.0021345700000000, 0.0005653100000000 ] - [ -0.0013297900000000, 0.0005524400000000, 0.0010723200000000 ] - [ 0.0006005500000000, 0.0005520400000000, 0.0000876600000000 ] - [ 0.0003296500000000, -0.0000029300000000, 0.0003311000000000 ] - [ 0.0003227700000000, 0.0000046500000000, 0.0003281500000000 ] - [ 0.0003151700000000, -0.0000027300000000, 0.0003245000000000 ] - [ 0.0000102200000000, 0.0001429700000000, 0.0001710000000000 ] - [ 0.0000225800000000, -0.0000030600000000, 0.0001727900000000 ] - [ -0.0000003900000000, -0.0000028300000000, 0.0001635600000000 ] - [ 0.0003624100000000, -0.0351434800000000, -0.0010791500000000 ] - [ 0.0000301700000000, 0.0006126800000000, -0.0001560800000000 ] - [ 0.0000916600000000, 0.0006037000000000, -0.0002920700000000 ] - [ -0.0000992200000000, -0.0004271100000000, -0.0001767200000000 ] - [ 0.0000338400000000, 0.0001559600000000, 0.0000356100000000 ] - [ -0.0002541400000000, 0.0001541000000000, -0.0003856700000000 ] - [ 0.0003228900000000, 0.0001306000000000, 0.0003171000000000 ] - [ 0.0000814900000000, 0.0001913600000000, 0.0000361600000000 ] - [ 0.0005590400000000, 0.0001882200000000, 0.0006150200000000 ] - [ 0.0000093000000000, -0.0000016600000000, 0.0001675400000000 ] - [ 0.0000095000000000, 0.0000023600000000, 0.0001670900000000 ] - [ 0.0000104300000000, -0.0000015300000000, 0.0001675800000000 ] - [ 0.0000603300000000, -0.0000020000000000, -0.0002231000000000 ] - [ 0.0000611400000000, 0.0000046400000000, -0.0002245100000000 ] - [ 0.0000618600000000, -0.0000017800000000, -0.0002257500000000 ] - [ -0.0001215800000000, -0.0000034300000000, -0.0001830800000000 ] - [ -0.0001122900000000, 0.0000050800000000, -0.0001774500000000 ] - [ -0.0001033300000000, -0.0000032000000000, -0.0001719100000000 ] - [ -0.0002270700000000, 0.0015874700000000, 0.0001233900000000 ] - [ -0.0005229400000000, -0.0001673600000000, -0.0000717500000000 ] - [ 0.0000091400000000, -0.0001667400000000, 0.0002540600000000 ] - [ -0.0000271100000000, 0.0000339100000000, -0.0006003100000000 ] - [ 0.0000021100000000, -0.0000390300000000, -0.0005544100000000 ] - [ 0.0000345600000000, 0.0000316800000000, -0.0004970900000000 ] - [ 0.0000668700000000, 0.0001461400000000, -0.0000080200000000 ] - [ -0.0000918200000000, -0.0000768600000000, -0.0002338000000000 ] - [ 0.0002286200000000, -0.0000772600000000, 0.0002054200000000 ] - [ 0.0001423500000000, 0.0000231300000000, -0.0000480900000000 ] - [ 0.0001784300000000, -0.0000296200000000, -0.0000874500000000 ] - [ 0.0002180600000000, 0.0000214100000000, -0.0001279800000000 ] - [ 0.0001258400000000, -0.0005790800000000, 0.0002101400000000 ] - [ 0.0000289800000000, -0.0000218800000000, 0.0002943600000000 ] - [ 0.0001857600000000, -0.0000228700000000, 0.0001579600000000 ] - [ -0.0001573800000000, 0.0000131600000000, -0.0001207800000000 ] - [ -0.0001409800000000, -0.0000239200000000, -0.0001193500000000 ] - [ -0.0001248200000000, 0.0000115900000000, -0.0001183800000000 ] - [ -0.0009364900000000, 0.0213711900000000, 0.0011191400000000 ] - [ -0.0010327600000000, -0.0006457700000000, 0.0004834900000000 ] - [ -0.0002013500000000, -0.0006347300000000, -0.0001909700000000 ] - [ 0.0000788900000000, 0.0000069200000000, -0.0000282100000000 ] - [ 0.0000832400000000, -0.0000127100000000, -0.0000293900000000 ] - [ 0.0000881400000000, 0.0000058600000000, -0.0000298900000000 ] - [ 0.0009627000000000, 0.0001141100000000, -0.0009250400000000 ] - [ 0.0008584300000000, -0.0000576200000000, -0.0009246200000000 ] - [ 0.0010521400000000, -0.0000593000000000, -0.0009248900000000 ] - [ 0.0002755400000000, 0.0003997400000000, 0.0011006500000000 ] - [ 0.0005460700000000, -0.0005974900000000, 0.0006133400000000 ] - [ 0.0007993200000000, 0.0003963300000000, 0.0001300200000000 ] - [ 0.0003279300000000, 0.0000913000000000, 0.0000490800000000 ] - [ 0.0002556700000000, -0.0000517200000000, 0.0000108300000000 ] - [ 0.0003913500000000, -0.0000550800000000, 0.0000863600000000 ] - [ -0.0007888800000000, 0.0001060900000000, -0.0000534600000000 ] - [ -0.0007855200000000, -0.0002138600000000, -0.0000595400000000 ] - [ -0.0007803200000000, 0.0000965600000000, -0.0000634300000000 ] - [ 0.0016410700000000, 0.0003087200000000, -0.0001643500000000 ] - [ 0.0014886300000000, -0.0001045800000000, -0.0001368800000000 ] - [ 0.0017760600000000, -0.0001086900000000, -0.0001841600000000 ] - [ -0.0011234700000000, 0.0001344100000000, 0.0004605500000000 ] - [ -0.0010435500000000, -0.0002317800000000, 0.0004975200000000 ] - [ -0.0009605900000000, 0.0001218100000000, 0.0005363700000000 ] - [ -0.0002146600000000, 0.0000257300000000, 0.0001743200000000 ] - [ -0.0002555700000000, -0.0000383200000000, 0.0000897300000000 ] - [ -0.0002930700000000, 0.0000240100000000, 0.0000115000000000 ] - [ -0.0000106100000000, 0.0010991200000000, -0.0005637900000000 ] - [ 0.0002629000000000, -0.0001747900000000, -0.0003878300000000 ] - [ -0.0002509400000000, -0.0001739300000000, -0.0007043000000000 ] - [ 0.0001252500000000, 0.0000204700000000, -0.0000605800000000 ] - [ 0.0000688100000000, -0.0000307700000000, -0.0000108300000000 ] - [ 0.0000162300000000, 0.0000194700000000, 0.0000338000000000 ] - [ 0.0001709400000000, 0.0000756300000000, -0.0000927500000000 ] - [ 0.0003805100000000, -0.0001045300000000, 0.0001855500000000 ] - [ -0.0000138900000000, -0.0001042400000000, -0.0003600200000000 ] - [ 0.0001243800000000, 0.0000117600000000, 0.0002294000000000 ] - [ 0.0001106000000000, -0.0000223100000000, 0.0002254900000000 ] - [ 0.0000945600000000, 0.0000106300000000, 0.0002225600000000 ] - [ -0.0001467700000000, -0.0002758200000000, -0.0001123300000000 ] - [ -0.0000738500000000, -0.0000261100000000, -0.0002349800000000 ] - [ -0.0002076400000000, -0.0000272700000000, -0.0000070700000000 ] - [ -0.0006023100000000, 0.0000069200000000, 0.0001437500000000 ] - [ -0.0006126100000000, -0.0000131500000000, 0.0001429100000000 ] - [ -0.0006212800000000, 0.0000060300000000, 0.0001429500000000 ] - [ 0.0001082100000000, 0.0162633600000000, -0.0001373200000000 ] - [ 0.0006133800000000, -0.0005435400000000, -0.0004456300000000 ] - [ -0.0004389800000000, -0.0005355600000000, 0.0003800800000000 ] - [ 0.0012760600000000, 0.0002973800000000, -0.0012445300000000 ] - [ 0.0009594400000000, -0.0005886800000000, -0.0009255300000000 ] - [ 0.0006467100000000, 0.0002919800000000, -0.0006077900000000 ] - [ 0.0005441900000000, 0.0001374600000000, 0.0006137800000000 ] - [ 0.0006494200000000, -0.0000705300000000, 0.0006113200000000 ] - [ 0.0004481600000000, -0.0000736100000000, 0.0006145300000000 ] - [ 0.0003325400000000, 0.0001068900000000, 0.0000388400000000 ] - [ 0.0003252700000000, -0.0002220500000000, 0.0000486100000000 ] - [ 0.0003158200000000, 0.0000990800000000, 0.0000556400000000 ] - [ -0.0007872900000000, 0.0001228300000000, -0.0000606100000000 ] - [ -0.0007088500000000, -0.0000615200000000, -0.0000117600000000 ] - [ -0.0008591700000000, -0.0000647600000000, -0.0001047300000000 ] - [ 0.0017414200000000, 0.0001298500000000, -0.0001230800000000 ] - [ 0.0016348800000000, -0.0002458600000000, -0.0001608600000000 ] - [ 0.0015275700000000, 0.0001235800000000, -0.0001983100000000 ] - [ -0.0010454000000000, 0.0002695400000000, 0.0004978300000000 ] - [ -0.0009218500000000, -0.0001144000000000, 0.0004911700000000 ] - [ -0.0011600600000000, -0.0001146400000000, 0.0005039900000000 ]- atom: 43 displacement: [ -0.0020604768976038, 0.0000000000000000, 0.0097854195083523 ] forces: - [ 0.0003818300000000, 0.0000000000000000, -0.0090998300000000 ] - [ 0.0004224300000000, -0.0004311400000000, -0.0011034600000000 ] - [ 0.0004224300000000, 0.0004311400000000, -0.0011034600000000 ] - [ -0.0041249800000000, -0.0018427200000000, 0.0004399100000000 ] - [ -0.0015704100000000, 0.0000000000000000, -0.0002400800000000 ] - [ -0.0041249800000000, 0.0018427200000000, 0.0004399100000000 ] - [ -0.0001950400000000, 0.0000000000000000, 0.0073287800000000 ] - [ 0.0014759600000000, -0.0003346300000000, 0.0014533800000000 ] - [ 0.0014759600000000, 0.0003346300000000, 0.0014533800000000 ] - [ -0.0013801400000000, -0.0003695400000000, 0.0002556900000000 ] - [ -0.0013869300000000, 0.0000000000000000, -0.0001663600000000 ] - [ -0.0013801400000000, 0.0003695400000000, 0.0002556900000000 ] - [ -0.0484079000000000, 0.0000000000000000, 0.0046679200000000 ] - [ -0.0002349300000000, -0.0048029100000000, -0.0005364300000000 ] - [ -0.0002349300000000, 0.0048029100000000, -0.0005364300000000 ] - [ -0.0026820100000000, -0.0007795600000000, -0.0005001500000000 ] - [ -0.0020800400000000, 0.0000000000000000, 0.0001549900000000 ] - [ -0.0026820100000000, 0.0007795600000000, -0.0005001500000000 ] - [ -0.0041790200000000, 0.0020162800000000, 0.0004031200000000 ] - [ -0.0011895000000000, 0.0000000000000000, -0.0001045200000000 ] - [ -0.0041790200000000, -0.0020162800000000, 0.0004031200000000 ] - [ 0.0018386000000000, 0.0000000000000000, -0.0092882500000000 ] - [ 0.0003334900000000, 0.0003711700000000, -0.0010707900000000 ] - [ 0.0003334900000000, -0.0003711700000000, -0.0010707900000000 ] - [ 0.0000371200000000, 0.0005072500000000, 0.0006197300000000 ] - [ 0.0001564200000000, 0.0000000000000000, 0.0001030100000000 ] - [ 0.0000371200000000, -0.0005072500000000, 0.0006197300000000 ] - [ -0.0044273500000000, 0.0000000000000000, 0.0079184800000000 ] - [ -0.0004031400000000, 0.0004640700000000, 0.0012431400000000 ] - [ -0.0004031400000000, -0.0004640700000000, 0.0012431400000000 ] - [ -0.0035579400000000, 0.0007699500000000, -0.0013248500000000 ] - [ -0.0030096200000000, 0.0000000000000000, -0.0005783400000000 ] - [ -0.0035579400000000, -0.0007699500000000, -0.0013248500000000 ] - [ -0.0493211400000000, 0.0000000000000000, 0.0098483600000000 ] - [ 0.0012605800000000, 0.0043633200000000, 0.0003737000000000 ] - [ 0.0012605800000000, -0.0043633200000000, 0.0003737000000000 ] - [ -0.0008355900000000, -0.0000063500000000, -0.0005705200000000 ] - [ -0.0005272400000000, 0.0000000000000000, -0.0003365500000000 ] - [ -0.0008355900000000, 0.0000063500000000, -0.0005705200000000 ] - [ 0.0025977400000000, 0.0000000000000000, 0.0041243700000000 ] - [ 0.0011458300000000, -0.0000133700000000, 0.0011340300000000 ] - [ 0.0011458300000000, 0.0000133700000000, 0.0011340300000000 ] - [ 0.0348583200000000, 0.0000000000000000, -0.1144512200000000 ] - [ 0.0008523500000000, -0.0000734800000000, -0.0024197200000000 ] - [ 0.0008523500000000, 0.0000734800000000, -0.0024197200000000 ] - [ 0.0125002300000000, 0.0000000000000000, 0.0074777000000000 ] - [ 0.0011844800000000, 0.0003232300000000, 0.0007150900000000 ] - [ 0.0011844800000000, -0.0003232300000000, 0.0007150900000000 ] - [ 0.0133986500000000, 0.0000000000000000, 0.0146796600000000 ] - [ 0.0017435500000000, -0.0003711300000000, 0.0014204800000000 ] - [ 0.0017435500000000, 0.0003711300000000, 0.0014204800000000 ] - [ -0.0010246500000000, -0.0000054200000000, -0.0005287100000000 ] - [ -0.0008001800000000, 0.0000000000000000, -0.0003938700000000 ] - [ -0.0010246500000000, 0.0000054200000000, -0.0005287100000000 ] - [ -0.0003431600000000, -0.0000017500000000, 0.0005748900000000 ] - [ -0.0002394900000000, 0.0000000000000000, 0.0004069600000000 ] - [ -0.0003431600000000, 0.0000017500000000, 0.0005748900000000 ] - [ -0.0012588000000000, 0.0000061200000000, -0.0009588000000000 ] - [ -0.0009547200000000, 0.0000000000000000, -0.0007631400000000 ] - [ -0.0012588000000000, -0.0000061200000000, -0.0009588000000000 ] - [ 0.0066427100000000, 0.0000000000000000, 0.0148856900000000 ] - [ -0.0000789800000000, 0.0003714600000000, 0.0017190900000000 ] - [ -0.0000789800000000, -0.0003714600000000, 0.0017190900000000 ] - [ 0.0010599100000000, 0.0002500100000000, 0.0010800000000000 ] - [ 0.0005110800000000, 0.0000000000000000, 0.0002184600000000 ] - [ 0.0010599100000000, -0.0002500100000000, 0.0010800000000000 ] - [ -0.0086425000000000, 0.0000000000000000, -0.0056036700000000 ] - [ -0.0011128900000000, -0.0001339600000000, -0.0007603100000000 ] - [ -0.0011128900000000, 0.0001339600000000, -0.0007603100000000 ] - [ 0.0018578200000000, 0.0001680100000000, -0.0007040600000000 ] - [ 0.0010872400000000, 0.0000000000000000, -0.0000511800000000 ] - [ 0.0018578200000000, -0.0001680100000000, -0.0007040600000000 ] - [ 0.0031642000000000, 0.0000000000000000, -0.0073781500000000 ] - [ -0.0007030900000000, 0.0003135600000000, -0.0010492500000000 ] - [ -0.0007030900000000, -0.0003135600000000, -0.0010492500000000 ] - [ 0.0009712300000000, 0.0001000900000000, 0.0002803400000000 ] - [ 0.0007379300000000, 0.0000000000000000, 0.0001761200000000 ] - [ 0.0009712300000000, -0.0001000900000000, 0.0002803400000000 ] - [ -0.0208202300000000, 0.0000000000000000, 0.1274338000000000 ] - [ -0.0027041700000000, 0.0007885200000000, 0.0008810500000000 ] - [ -0.0027041700000000, -0.0007885200000000, 0.0008810500000000 ] - [ 0.0021510700000000, 0.0000237800000000, -0.0001313400000000 ] - [ 0.0016355100000000, 0.0000000000000000, -0.0001416800000000 ] - [ 0.0021510700000000, -0.0000237800000000, -0.0001313400000000 ] - [ 0.0021942200000000, 0.0000000000000000, -0.0006692000000000 ] - [ 0.0012958300000000, 0.0003677600000000, -0.0008023700000000 ] - [ 0.0012958300000000, -0.0003677600000000, -0.0008023700000000 ] - [ 0.0041951200000000, 0.0079234500000000, -0.0000095100000000 ] - [ 0.0011972100000000, 0.0000000000000000, 0.0004253700000000 ] - [ 0.0041951200000000, -0.0079234500000000, -0.0000095100000000 ] - [ 0.0003889800000000, 0.0000000000000000, 0.0001698300000000 ] - [ 0.0003130800000000, 0.0002927600000000, 0.0000558300000000 ] - [ 0.0003130800000000, -0.0002927600000000, 0.0000558300000000 ] - [ -0.0006768100000000, 0.0003626200000000, -0.0008362900000000 ] - [ -0.0006676800000000, 0.0000000000000000, -0.0003043400000000 ] - [ -0.0006768100000000, -0.0003626200000000, -0.0008362900000000 ] - [ 0.0057579500000000, 0.0000000000000000, -0.0031560900000000 ] - [ 0.0019947100000000, 0.0010270700000000, -0.0007267400000000 ] - [ 0.0019947100000000, -0.0010270700000000, -0.0007267400000000 ] - [ -0.0008356900000000, 0.0008082000000000, 0.0008922800000000 ] - [ -0.0007661000000000, 0.0000000000000000, 0.0006749800000000 ] - [ -0.0008356900000000, -0.0008082000000000, 0.0008922800000000 ] - [ 0.0008007900000000, -0.0002176300000000, 0.0019457200000000 ] - [ 0.0002333000000000, 0.0000000000000000, 0.0008650400000000 ] - [ 0.0008007900000000, 0.0002176300000000, 0.0019457200000000 ] - [ 0.0064878000000000, 0.0000000000000000, 0.0141355700000000 ] - [ 0.0000528600000000, -0.0003761900000000, 0.0007112000000000 ] - [ 0.0000528600000000, 0.0003761900000000, 0.0007112000000000 ] - [ 0.0017680000000000, -0.0001821200000000, -0.0005739200000000 ] - [ 0.0009750000000000, 0.0000000000000000, 0.0000750800000000 ] - [ 0.0017680000000000, 0.0001821200000000, -0.0005739200000000 ] - [ -0.0106136800000000, 0.0000000000000000, -0.0077469400000000 ] - [ -0.0010738100000000, 0.0001676500000000, -0.0009709100000000 ] - [ -0.0010738100000000, -0.0001676500000000, -0.0009709100000000 ] - [ 0.0014338500000000, -0.0000762200000000, 0.0006244200000000 ] - [ 0.0011336700000000, 0.0000000000000000, 0.0005576100000000 ] - [ 0.0014338500000000, 0.0000762200000000, 0.0006244200000000 ] - [ 0.0046263000000000, 0.0000000000000000, -0.0104762200000000 ] - [ -0.0006699400000000, -0.0003657900000000, -0.0014816600000000 ] - [ -0.0006699400000000, 0.0003657900000000, -0.0014816600000000 ] - [ 0.0012820200000000, -0.0000211900000000, 0.0000798800000000 ] - [ 0.0008134200000000, 0.0000000000000000, 0.0000571700000000 ] - [ 0.0012820200000000, 0.0000211900000000, 0.0000798800000000 ] - [ 0.0366356900000000, 0.0000000000000000, -0.0416310000000000 ] - [ -0.0021115900000000, -0.0007402500000000, 0.0007561500000000 ] - [ -0.0021115900000000, 0.0007402500000000, 0.0007561500000000 ] - [ 0.0045465000000000, -0.0077622000000000, -0.0013946200000000 ] - [ 0.0015969200000000, 0.0000000000000000, -0.0009911300000000 ] - [ 0.0045465000000000, 0.0077622000000000, -0.0013946200000000 ] - [ 0.0016181400000000, 0.0000000000000000, 0.0007938900000000 ] - [ 0.0008371600000000, -0.0004391100000000, 0.0007277200000000 ] - [ 0.0008371600000000, 0.0004391100000000, 0.0007277200000000 ] - [ 0.0006019500000000, -0.0007088500000000, -0.0007097100000000 ] - [ 0.0005122900000000, 0.0000000000000000, -0.0001770800000000 ] - [ 0.0006019500000000, 0.0007088500000000, -0.0007097100000000 ] - [ -0.0004069800000000, 0.0000000000000000, -0.0001573200000000 ] - [ -0.0007294600000000, -0.0003768200000000, -0.0001161000000000 ] - [ -0.0007294600000000, 0.0003768200000000, -0.0001161000000000 ] - [ 0.0018181300000000, -0.0007408500000000, 0.0000758300000000 ] - [ 0.0018910800000000, 0.0000000000000000, -0.0000820000000000 ] - [ 0.0018181300000000, 0.0007408500000000, 0.0000758300000000 ] - [ 0.0026375200000000, 0.0000000000000000, -0.0015688000000000 ] - [ -0.0008066600000000, -0.0011652600000000, 0.0000066200000000 ] - [ -0.0008066600000000, 0.0011652600000000, 0.0000066200000000 ]- atom: 43 displacement: [ 0.0020604768976038, 0.0000000000000000, -0.0097854195083523 ] forces: - [ 0.0000023500000000, 0.0000000000000000, 0.0091572700000000 ] - [ -0.0000552400000000, 0.0004252700000000, 0.0012750200000000 ] - [ -0.0000552400000000, -0.0004252700000000, 0.0012750200000000 ] - [ 0.0037552600000000, 0.0018192300000000, -0.0006847200000000 ] - [ 0.0012344700000000, 0.0000000000000000, -0.0000154200000000 ] - [ 0.0037552600000000, -0.0018192300000000, -0.0006847200000000 ] - [ 0.0022451700000000, 0.0000000000000000, -0.0071345900000000 ] - [ 0.0006044600000000, 0.0003312900000000, -0.0013513800000000 ] - [ 0.0006044600000000, -0.0003312900000000, -0.0013513800000000 ] - [ 0.0000922000000000, 0.0003644800000000, -0.0007025600000000 ] - [ 0.0000936200000000, 0.0000000000000000, -0.0002887900000000 ] - [ 0.0000922000000000, -0.0003644800000000, -0.0007025600000000 ] - [ 0.0449584100000000, 0.0000000000000000, -0.0049204200000000 ] - [ -0.0025870000000000, 0.0047385200000000, 0.0002723600000000 ] - [ -0.0025870000000000, -0.0047385200000000, 0.0002723600000000 ] - [ 0.0019405100000000, 0.0007668900000000, 0.0016396600000000 ] - [ 0.0013496800000000, 0.0000000000000000, 0.0009934500000000 ] - [ 0.0019405100000000, -0.0007668900000000, 0.0016396600000000 ] - [ 0.0044849400000000, -0.0019891200000000, -0.0002104400000000 ] - [ 0.0015376800000000, 0.0000000000000000, 0.0002932300000000 ] - [ 0.0044849400000000, 0.0019891200000000, -0.0002104400000000 ] - [ -0.0021478900000000, 0.0000000000000000, 0.0089160700000000 ] - [ -0.0006465500000000, -0.0003671500000000, 0.0008077500000000 ] - [ -0.0006465500000000, 0.0003671500000000, 0.0008077500000000 ] - [ 0.0020217200000000, -0.0005013200000000, -0.0005298200000000 ] - [ 0.0019048500000000, 0.0000000000000000, -0.0000226000000000 ] - [ 0.0020217200000000, 0.0005013200000000, -0.0005298200000000 ] - [ 0.0030921700000000, 0.0000000000000000, -0.0082729100000000 ] - [ -0.0008727900000000, -0.0004576400000000, -0.0016775700000000 ] - [ -0.0008727900000000, 0.0004576400000000, -0.0016775700000000 ] - [ 0.0006880500000000, -0.0007609400000000, 0.0010522900000000 ] - [ 0.0001482600000000, 0.0000000000000000, 0.0003135800000000 ] - [ 0.0006880500000000, 0.0007609400000000, 0.0010522900000000 ] - [ 0.0478233000000000, 0.0000000000000000, -0.0085539100000000 ] - [ -0.0019525100000000, -0.0043045200000000, 0.0007766600000000 ] - [ -0.0019525100000000, 0.0043045200000000, 0.0007766600000000 ] - [ 0.0014650300000000, 0.0000061900000000, 0.0012142900000000 ] - [ 0.0011612300000000, 0.0000000000000000, 0.0009838700000000 ] - [ 0.0014650300000000, -0.0000061900000000, 0.0012142900000000 ] - [ -0.0025447900000000, 0.0000000000000000, -0.0037311800000000 ] - [ -0.0011097600000000, 0.0000132500000000, -0.0007853400000000 ] - [ -0.0011097600000000, -0.0000132500000000, -0.0007853400000000 ] - [ -0.0405288000000000, 0.0000000000000000, 0.1301699200000000 ] - [ -0.0007194500000000, 0.0000719400000000, 0.0019417900000000 ] - [ -0.0007194500000000, -0.0000719400000000, 0.0019417900000000 ] - [ -0.0125075300000000, 0.0000000000000000, -0.0076513100000000 ] - [ -0.0013901000000000, -0.0003185300000000, -0.0010568400000000 ] - [ -0.0013901000000000, 0.0003185300000000, -0.0010568400000000 ] - [ -0.0123712700000000, 0.0000000000000000, -0.0141757200000000 ] - [ -0.0010797200000000, 0.0003670400000000, -0.0007500400000000 ] - [ -0.0010797200000000, -0.0003670400000000, -0.0007500400000000 ] - [ 0.0010308400000000, 0.0000052500000000, 0.0008546700000000 ] - [ 0.0008084900000000, 0.0000000000000000, 0.0007206400000000 ] - [ 0.0010308400000000, -0.0000052500000000, 0.0008546700000000 ] - [ 0.0004601300000000, 0.0000016300000000, -0.0010131800000000 ] - [ 0.0003578300000000, 0.0000000000000000, -0.0008474700000000 ] - [ 0.0004601300000000, -0.0000016300000000, -0.0010131800000000 ] - [ 0.0010197900000000, -0.0000061200000000, 0.0005944700000000 ] - [ 0.0007201600000000, 0.0000000000000000, 0.0004015700000000 ] - [ 0.0010197900000000, 0.0000061200000000, 0.0005944700000000 ] - [ -0.0070607600000000, 0.0000000000000000, -0.0144910200000000 ] - [ -0.0004273500000000, -0.0003661900000000, -0.0015110400000000 ] - [ -0.0004273500000000, 0.0003661900000000, -0.0015110400000000 ] - [ -0.0010381200000000, -0.0002465100000000, -0.0021514900000000 ] - [ -0.0004995300000000, 0.0000000000000000, -0.0013155900000000 ] - [ -0.0010381200000000, 0.0002465100000000, -0.0021514900000000 ] - [ 0.0086220000000000, 0.0000000000000000, 0.0054802400000000 ] - [ 0.0012362800000000, 0.0001320400000000, 0.0007268100000000 ] - [ 0.0012362800000000, -0.0001320400000000, 0.0007268100000000 ] - [ -0.0014740800000000, -0.0001653300000000, 0.0005176500000000 ] - [ -0.0007179100000000, 0.0000000000000000, -0.0001232800000000 ] - [ -0.0014740800000000, 0.0001653300000000, 0.0005176500000000 ] - [ -0.0028861400000000, 0.0000000000000000, 0.0077104000000000 ] - [ 0.0009095300000000, -0.0003093500000000, 0.0014822000000000 ] - [ 0.0009095300000000, 0.0003093500000000, 0.0014822000000000 ] - [ -0.0012399900000000, -0.0000984800000000, -0.0005140900000000 ] - [ -0.0010078800000000, 0.0000000000000000, -0.0004104800000000 ] - [ -0.0012399900000000, 0.0000984800000000, -0.0005140900000000 ] - [ 0.0253460500000000, 0.0000000000000000, -0.1430415200000000 ] - [ 0.0014487100000000, -0.0007794900000000, -0.0005841000000000 ] - [ 0.0014487100000000, 0.0007794900000000, -0.0005841000000000 ] - [ -0.0019573400000000, -0.0000226700000000, 0.0000716700000000 ] - [ -0.0014475400000000, 0.0000000000000000, 0.0000807000000000 ] - [ -0.0019573400000000, 0.0000226700000000, 0.0000716700000000 ] - [ -0.0002623800000000, 0.0000000000000000, -0.0011782900000000 ] - [ 0.0006218500000000, -0.0003646700000000, -0.0010451300000000 ] - [ 0.0006218500000000, 0.0003646700000000, -0.0010451300000000 ] - [ -0.0030584900000000, -0.0078192300000000, 0.0012274000000000 ] - [ -0.0000922900000000, 0.0000000000000000, 0.0007963600000000 ] - [ -0.0030584900000000, 0.0078192300000000, 0.0012274000000000 ] - [ 0.0002619700000000, 0.0000000000000000, -0.0000752600000000 ] - [ 0.0003362500000000, -0.0002895900000000, 0.0000429300000000 ] - [ 0.0003362500000000, 0.0002895900000000, 0.0000429300000000 ] - [ -0.0008904300000000, -0.0003585800000000, 0.0007094500000000 ] - [ -0.0009004700000000, 0.0000000000000000, 0.0001815900000000 ] - [ -0.0008904300000000, 0.0003585800000000, 0.0007094500000000 ] - [ -0.0024346700000000, 0.0000000000000000, 0.0027952600000000 ] - [ 0.0012795100000000, -0.0010115100000000, 0.0003963100000000 ] - [ 0.0012795100000000, 0.0010115100000000, 0.0003963100000000 ] - [ -0.0012455000000000, -0.0007924900000000, 0.0001107500000000 ] - [ -0.0013157000000000, 0.0000000000000000, 0.0003248400000000 ] - [ -0.0012455000000000, 0.0007924900000000, 0.0001107500000000 ] - [ -0.0012966100000000, 0.0002152300000000, -0.0017422800000000 ] - [ -0.0007390100000000, 0.0000000000000000, -0.0006780500000000 ] - [ -0.0012966100000000, -0.0002152300000000, -0.0017422800000000 ] - [ -0.0063907000000000, 0.0000000000000000, -0.0150618400000000 ] - [ -0.0000449300000000, 0.0003711000000000, -0.0017890000000000 ] - [ -0.0000449300000000, -0.0003711000000000, -0.0017890000000000 ] - [ -0.0016064500000000, 0.0001797900000000, 0.0005438300000000 ] - [ -0.0008270000000000, 0.0000000000000000, -0.0000914900000000 ] - [ -0.0016064500000000, -0.0001797900000000, 0.0005438300000000 ] - [ 0.0108339700000000, 0.0000000000000000, 0.0075026100000000 ] - [ 0.0014199700000000, -0.0001657200000000, 0.0007799800000000 ] - [ 0.0014199700000000, 0.0001657200000000, 0.0007799800000000 ] - [ -0.0011970000000000, 0.0000757800000000, -0.0001678000000000 ] - [ -0.0008988400000000, 0.0000000000000000, -0.0001027500000000 ] - [ -0.0011970000000000, -0.0000757800000000, -0.0001678000000000 ] - [ -0.0048319600000000, 0.0000000000000000, 0.0101033400000000 ] - [ 0.0003790500000000, 0.0003609500000000, 0.0012247600000000 ] - [ 0.0003790500000000, -0.0003609500000000, 0.0012247600000000 ] - [ -0.0024809200000000, 0.0000215200000000, 0.0002060500000000 ] - [ -0.0020203700000000, 0.0000000000000000, 0.0002274900000000 ] - [ -0.0024809200000000, -0.0000215200000000, 0.0002060500000000 ] - [ -0.0358788500000000, 0.0000000000000000, 0.0412168100000000 ] - [ 0.0022489100000000, 0.0007296800000000, -0.0008042100000000 ] - [ 0.0022489100000000, -0.0007296800000000, -0.0008042100000000 ] - [ -0.0025792500000000, 0.0076611000000000, -0.0004619300000000 ] - [ 0.0003268600000000, 0.0000000000000000, -0.0008595300000000 ] - [ -0.0025792500000000, -0.0076611000000000, -0.0004619300000000 ] - [ -0.0005113500000000, 0.0000000000000000, 0.0004355600000000 ] - [ 0.0002628800000000, 0.0004337000000000, 0.0004984900000000 ] - [ 0.0002628800000000, -0.0004337000000000, 0.0004984900000000 ] - [ 0.0000517000000000, 0.0007010500000000, 0.0007949600000000 ] - [ 0.0001411500000000, 0.0000000000000000, 0.0002720500000000 ] - [ 0.0000517000000000, -0.0007010500000000, 0.0007949600000000 ] - [ -0.0011575500000000, 0.0000000000000000, 0.0000362500000000 ] - [ -0.0008391700000000, 0.0003731700000000, -0.0000020100000000 ] - [ -0.0008391700000000, -0.0003731700000000, -0.0000020100000000 ] - [ 0.0014538700000000, 0.0007314100000000, -0.0003949000000000 ] - [ 0.0013820200000000, 0.0000000000000000, -0.0002392200000000 ] - [ 0.0014538700000000, -0.0007314100000000, -0.0003949000000000 ] - [ -0.0046673000000000, 0.0000000000000000, 0.0025375900000000 ] - [ -0.0012743200000000, 0.0011480800000000, 0.0009836600000000 ] - [ -0.0012743200000000, -0.0011480800000000, 0.0009836600000000 ]- atom: 46 displacement: [ 0.0099999983408567, 0.0000000000000000, 0.0000057604567923 ] forces: - [ 0.0202643600000000, 0.0000000000000000, -0.0085772700000000 ] - [ -0.0003336600000000, 0.0020359900000000, -0.0007087100000000 ] - [ -0.0003336600000000, -0.0020359900000000, -0.0007087100000000 ] - [ 0.0003580700000000, 0.0016661300000000, 0.0012296400000000 ] - [ 0.0002472000000000, 0.0000000000000000, 0.0002703900000000 ] - [ 0.0003580700000000, -0.0016661300000000, 0.0012296400000000 ] - [ 0.0026674700000000, 0.0000000000000000, 0.0239793400000000 ] - [ -0.0007457600000000, 0.0026732800000000, -0.0002055600000000 ] - [ -0.0007457600000000, -0.0026732800000000, -0.0002055600000000 ] - [ 0.0020116400000000, 0.0026323800000000, 0.0005256600000000 ] - [ 0.0005121500000000, 0.0000000000000000, 0.0000802700000000 ] - [ 0.0020116400000000, -0.0026323800000000, 0.0005256600000000 ] - [ -0.0084043100000000, 0.0000000000000000, -0.0029786100000000 ] - [ -0.0040177100000000, 0.0008867400000000, -0.0002692500000000 ] - [ -0.0040177100000000, -0.0008867400000000, -0.0002692500000000 ] - [ 0.0027877900000000, 0.0016186200000000, 0.0002819200000000 ] - [ 0.0016025000000000, 0.0000000000000000, 0.0005020200000000 ] - [ 0.0027877900000000, -0.0016186200000000, 0.0002819200000000 ] - [ 0.0038290600000000, -0.0014682000000000, 0.0001397200000000 ] - [ 0.0015184400000000, 0.0000000000000000, 0.0003876400000000 ] - [ 0.0038290600000000, 0.0014682000000000, 0.0001397200000000 ] - [ 0.0030579700000000, 0.0000000000000000, 0.0059562300000000 ] - [ -0.0000464400000000, -0.0008286800000000, 0.0004530100000000 ] - [ -0.0000464400000000, 0.0008286800000000, 0.0004530100000000 ] - [ 0.0028651800000000, -0.0009143900000000, 0.0000592300000000 ] - [ 0.0022766800000000, 0.0000000000000000, 0.0001822500000000 ] - [ 0.0028651800000000, 0.0009143900000000, 0.0000592300000000 ] - [ 0.0029846800000000, 0.0000000000000000, -0.0018106600000000 ] - [ -0.0009930000000000, -0.0009257300000000, -0.0008192000000000 ] - [ -0.0009930000000000, 0.0009257300000000, -0.0008192000000000 ] - [ 0.0014458700000000, -0.0009995800000000, 0.0007369500000000 ] - [ 0.0005543800000000, 0.0000000000000000, 0.0002439800000000 ] - [ 0.0014458700000000, 0.0009995800000000, 0.0007369500000000 ] - [ 0.0384812100000000, 0.0000000000000000, -0.0029149600000000 ] - [ -0.0020690700000000, -0.0034244300000000, 0.0005375900000000 ] - [ -0.0020690700000000, 0.0034244300000000, 0.0005375900000000 ] - [ 0.0017499800000000, 0.0000140300000000, 0.0014698200000000 ] - [ 0.0013142200000000, 0.0000000000000000, 0.0011152400000000 ] - [ 0.0017499800000000, -0.0000140300000000, 0.0014698200000000 ] - [ -0.0037694700000000, 0.0000000000000000, -0.0030548200000000 ] - [ -0.0012973900000000, -0.0000405700000000, -0.0007995200000000 ] - [ -0.0012973900000000, 0.0000405700000000, -0.0007995200000000 ] - [ -0.0095541800000000, 0.0000000000000000, 0.0105839600000000 ] - [ -0.0004773900000000, -0.0001461600000000, 0.0009889100000000 ] - [ -0.0004773900000000, 0.0001461600000000, 0.0009889100000000 ] - [ -0.1647756900000000, 0.0000000000000000, -0.1029456600000000 ] - [ -0.0017387600000000, -0.0000831400000000, -0.0013152600000000 ] - [ -0.0017387600000000, 0.0000831400000000, -0.0013152600000000 ] - [ -0.0013870400000000, 0.0000000000000000, -0.0004658300000000 ] - [ -0.0007155000000000, -0.0000793200000000, -0.0004470000000000 ] - [ -0.0007155000000000, 0.0000793200000000, -0.0004470000000000 ] - [ 0.0014129300000000, 0.0000190300000000, 0.0011741600000000 ] - [ 0.0010117000000000, 0.0000000000000000, 0.0008819600000000 ] - [ 0.0014129300000000, -0.0000190300000000, 0.0011741600000000 ] - [ 0.0005346300000000, 0.0000093600000000, -0.0012989000000000 ] - [ 0.0004127200000000, 0.0000000000000000, -0.0010135200000000 ] - [ 0.0005346300000000, -0.0000093600000000, -0.0012989000000000 ] - [ 0.0012817700000000, 0.0000022600000000, 0.0008218500000000 ] - [ 0.0008986900000000, 0.0000000000000000, 0.0005352600000000 ] - [ 0.0012817700000000, -0.0000022600000000, 0.0008218500000000 ] - [ 0.0001200700000000, 0.0000000000000000, 0.0083398000000000 ] - [ 0.0003217000000000, -0.0002319500000000, 0.0009681700000000 ] - [ 0.0003217000000000, 0.0002319500000000, 0.0009681700000000 ] - [ -0.0005676700000000, -0.0003320300000000, -0.0012481900000000 ] - [ -0.0003128500000000, 0.0000000000000000, -0.0008610900000000 ] - [ -0.0005676700000000, 0.0003320300000000, -0.0012481900000000 ] - [ -0.0218407200000000, 0.0000000000000000, -0.0282515200000000 ] - [ 0.0012252100000000, -0.0004059000000000, 0.0009183700000000 ] - [ 0.0012252100000000, 0.0004059000000000, 0.0009183700000000 ] - [ -0.0009390600000000, -0.0003302600000000, -0.0013030300000000 ] - [ -0.0005837800000000, 0.0000000000000000, -0.0006900800000000 ] - [ -0.0009390600000000, 0.0003302600000000, -0.0013030300000000 ] - [ 0.0065787600000000, 0.0000000000000000, -0.0013680400000000 ] - [ 0.0019431000000000, -0.0001670700000000, 0.0005484900000000 ] - [ 0.0019431000000000, 0.0001670700000000, 0.0005484900000000 ] - [ -0.0020173000000000, -0.0002780600000000, -0.0003188700000000 ] - [ -0.0012790500000000, 0.0000000000000000, -0.0003808400000000 ] - [ -0.0020173000000000, 0.0002780600000000, -0.0003188700000000 ] - [ 0.0084652900000000, 0.0000000000000000, -0.0077793900000000 ] - [ 0.0015707300000000, 0.0001010400000000, -0.0002911100000000 ] - [ 0.0015707300000000, -0.0001010400000000, -0.0002911100000000 ] - [ -0.0025641200000000, -0.0000947300000000, 0.0001979700000000 ] - [ -0.0017635900000000, 0.0000000000000000, 0.0001439000000000 ] - [ -0.0025641200000000, 0.0000947300000000, 0.0001979700000000 ] - [ -0.0023560900000000, 0.0000000000000000, -0.0004961300000000 ] - [ 0.0005440400000000, -0.0008712000000000, -0.0008332800000000 ] - [ 0.0005440400000000, 0.0008712000000000, -0.0008332800000000 ] - [ 0.0013187900000000, -0.0011817800000000, 0.0006122300000000 ] - [ 0.0008905700000000, 0.0000000000000000, 0.0006112400000000 ] - [ 0.0013187900000000, 0.0011817800000000, 0.0006122300000000 ] - [ -0.0043180500000000, 0.0000000000000000, -0.0016285800000000 ] - [ 0.0003207400000000, -0.0011283700000000, 0.0000942500000000 ] - [ 0.0003207400000000, 0.0011283700000000, 0.0000942500000000 ] - [ -0.0016731700000000, -0.0049095000000000, -0.0012801100000000 ] - [ -0.0010477400000000, 0.0000000000000000, -0.0002921600000000 ] - [ -0.0016731700000000, 0.0049095000000000, -0.0012801100000000 ] - [ 0.0009709200000000, 0.0000000000000000, -0.0037514000000000 ] - [ 0.0020899300000000, -0.0008016600000000, -0.0004602900000000 ] - [ 0.0020899300000000, 0.0008016600000000, -0.0004602900000000 ] - [ -0.0026596000000000, -0.0028797700000000, 0.0005964300000000 ] - [ -0.0014559600000000, 0.0000000000000000, 0.0004230900000000 ] - [ -0.0026596000000000, 0.0028797700000000, 0.0005964300000000 ] - [ -0.0012730700000000, 0.0002236200000000, -0.0014435300000000 ] - [ -0.0007832000000000, 0.0000000000000000, -0.0006399000000000 ] - [ -0.0012730700000000, -0.0002236200000000, -0.0014435300000000 ] - [ -0.0057043500000000, 0.0000000000000000, -0.0096316800000000 ] - [ -0.0000311700000000, 0.0004098300000000, -0.0011968800000000 ] - [ -0.0000311700000000, -0.0004098300000000, -0.0011968800000000 ] - [ -0.0016541000000000, 0.0001515600000000, -0.0001042700000000 ] - [ -0.0009549100000000, 0.0000000000000000, -0.0003176300000000 ] - [ -0.0016541000000000, -0.0001515600000000, -0.0001042700000000 ] - [ 0.0013990500000000, 0.0000000000000000, 0.0001151400000000 ] - [ 0.0009064200000000, 0.0001631400000000, 0.0003805000000000 ] - [ 0.0009064200000000, -0.0001631400000000, 0.0003805000000000 ] - [ -0.0017253300000000, 0.0001047500000000, -0.0003406100000000 ] - [ -0.0011863000000000, 0.0000000000000000, -0.0001897700000000 ] - [ -0.0017253300000000, -0.0001047500000000, -0.0003406100000000 ] - [ -0.0034013500000000, 0.0000000000000000, 0.0073993800000000 ] - [ 0.0006990300000000, 0.0003612200000000, 0.0008609400000000 ] - [ 0.0006990300000000, -0.0003612200000000, 0.0008609400000000 ] - [ -0.0029963700000000, 0.0000286200000000, 0.0002581100000000 ] - [ -0.0023222900000000, 0.0000000000000000, 0.0002699600000000 ] - [ -0.0029963700000000, -0.0000286200000000, 0.0002581100000000 ] - [ 0.1504433000000000, 0.0000000000000000, 0.1195151000000000 ] - [ 0.0023967400000000, 0.0005267100000000, -0.0002037800000000 ] - [ 0.0023967400000000, -0.0005267100000000, -0.0002037800000000 ] - [ -0.0016848800000000, 0.0057065800000000, -0.0005758500000000 ] - [ 0.0004787000000000, 0.0000000000000000, -0.0008510800000000 ] - [ -0.0016848800000000, -0.0057065800000000, -0.0005758500000000 ] - [ -0.0013224300000000, 0.0000000000000000, 0.0005483900000000 ] - [ 0.0000373700000000, 0.0005192700000000, 0.0005515000000000 ] - [ 0.0000373700000000, -0.0005192700000000, 0.0005515000000000 ] - [ -0.0003696700000000, 0.0013989700000000, 0.0002361400000000 ] - [ -0.0000070500000000, 0.0000000000000000, 0.0001026800000000 ] - [ -0.0003696700000000, -0.0013989700000000, 0.0002361400000000 ] - [ -0.0021608300000000, 0.0000000000000000, -0.0005214500000000 ] - [ -0.0009964700000000, 0.0005163400000000, -0.0000901600000000 ] - [ -0.0009964700000000, -0.0005163400000000, -0.0000901600000000 ] - [ 0.0008298900000000, 0.0012551300000000, -0.0004435500000000 ] - [ 0.0011632400000000, 0.0000000000000000, -0.0002736300000000 ] - [ 0.0008298900000000, -0.0012551300000000, -0.0004435500000000 ] - [ -0.0029710600000000, 0.0000000000000000, 0.0007197900000000 ] - [ -0.0012199300000000, 0.0009777100000000, 0.0007447200000000 ] - [ -0.0012199300000000, -0.0009777100000000, 0.0007447200000000 ]- atom: 46 displacement: [ -0.0099999983408567, 0.0000000000000000, -0.0000057604567923 ] forces: - [ -0.0195107000000000, 0.0000000000000000, 0.0086344700000000 ] - [ 0.0006865800000000, -0.0020048600000000, 0.0008819500000000 ] - [ 0.0006865800000000, 0.0020048600000000, 0.0008819500000000 ] - [ -0.0006670500000000, -0.0016333100000000, -0.0014570400000000 ] - [ -0.0005585900000000, 0.0000000000000000, -0.0005176300000000 ] - [ -0.0006670500000000, 0.0016333100000000, -0.0014570400000000 ] - [ -0.0005671500000000, 0.0000000000000000, -0.0235062900000000 ] - [ 0.0027914700000000, -0.0026254900000000, 0.0002817300000000 ] - [ 0.0027914700000000, 0.0026254900000000, 0.0002817300000000 ] - [ -0.0032451100000000, -0.0025918800000000, -0.0009684200000000 ] - [ -0.0017770100000000, 0.0000000000000000, -0.0005312300000000 ] - [ -0.0032451100000000, 0.0025918800000000, -0.0009684200000000 ] - [ 0.0054601700000000, 0.0000000000000000, 0.0027043300000000 ] - [ 0.0011349800000000, -0.0008745900000000, 0.0000119200000000 ] - [ 0.0011349800000000, 0.0008745900000000, 0.0000119200000000 ] - [ -0.0034483500000000, -0.0015936900000000, 0.0008680800000000 ] - [ -0.0022787800000000, 0.0000000000000000, 0.0006506200000000 ] - [ -0.0034483500000000, 0.0015936900000000, 0.0008680800000000 ] - [ -0.0034054100000000, 0.0014285200000000, 0.0000481500000000 ] - [ -0.0011296200000000, 0.0000000000000000, -0.0001924500000000 ] - [ -0.0034054100000000, -0.0014285200000000, 0.0000481500000000 ] - [ -0.0033342900000000, 0.0000000000000000, -0.0060971100000000 ] - [ -0.0002709100000000, 0.0008149000000000, -0.0006926700000000 ] - [ -0.0002709100000000, -0.0008149000000000, -0.0006926700000000 ] - [ -0.0007677000000000, 0.0009028000000000, 0.0000207500000000 ] - [ -0.0001843400000000, 0.0000000000000000, -0.0001008500000000 ] - [ -0.0007677000000000, -0.0009028000000000, 0.0000207500000000 ] - [ -0.0042637100000000, 0.0000000000000000, 0.0013447700000000 ] - [ -0.0002921400000000, 0.0009156600000000, 0.0003570900000000 ] - [ -0.0002921400000000, -0.0009156600000000, 0.0003570900000000 ] - [ -0.0042414000000000, 0.0009834700000000, -0.0009770100000000 ] - [ -0.0033628900000000, 0.0000000000000000, -0.0004962500000000 ] - [ -0.0042414000000000, -0.0009834700000000, -0.0009770100000000 ] - [ -0.0388954900000000, 0.0000000000000000, 0.0037988800000000 ] - [ 0.0013298800000000, 0.0033707600000000, 0.0006108500000000 ] - [ 0.0013298800000000, -0.0033707600000000, 0.0006108500000000 ] - [ -0.0010824500000000, -0.0000138700000000, -0.0007960600000000 ] - [ -0.0006531900000000, 0.0000000000000000, -0.0004466600000000 ] - [ -0.0010824500000000, 0.0000138700000000, -0.0007960600000000 ] - [ 0.0037322100000000, 0.0000000000000000, 0.0033520200000000 ] - [ 0.0012977700000000, 0.0000407700000000, 0.0011202500000000 ] - [ 0.0012977700000000, -0.0000407700000000, 0.0011202500000000 ] - [ 0.0097132900000000, 0.0000000000000000, -0.0109274800000000 ] - [ 0.0005917300000000, 0.0001425800000000, -0.0014184900000000 ] - [ 0.0005917300000000, -0.0001425800000000, -0.0014184900000000 ] - [ 0.1737471200000000, 0.0000000000000000, 0.1139513000000000 ] - [ 0.0014905500000000, 0.0000803700000000, 0.0009425800000000 ] - [ 0.0014905500000000, -0.0000803700000000, 0.0009425800000000 ] - [ 0.0020145500000000, 0.0000000000000000, 0.0011114400000000 ] - [ 0.0013451200000000, 0.0000782100000000, 0.0010915200000000 ] - [ 0.0013451200000000, -0.0000782100000000, 0.0010915200000000 ] - [ -0.0013710000000000, -0.0000188200000000, -0.0008233500000000 ] - [ -0.0009767900000000, 0.0000000000000000, -0.0005365100000000 ] - [ -0.0013710000000000, 0.0000188200000000, -0.0008233500000000 ] - [ -0.0004045800000000, -0.0000092900000000, 0.0008328700000000 ] - [ -0.0002847600000000, 0.0000000000000000, 0.0005521700000000 ] - [ -0.0004045800000000, 0.0000092900000000, 0.0008328700000000 ] - [ -0.0014826500000000, -0.0000023600000000, -0.0011595800000000 ] - [ -0.0011059300000000, 0.0000000000000000, -0.0008778100000000 ] - [ -0.0014826500000000, 0.0000023600000000, -0.0011595800000000 ] - [ -0.0006237900000000, 0.0000000000000000, -0.0080549600000000 ] - [ -0.0008200600000000, 0.0002292200000000, -0.0007679000000000 ] - [ -0.0008200600000000, -0.0002292200000000, -0.0007679000000000 ] - [ 0.0005659700000000, 0.0003262600000000, 0.0001414100000000 ] - [ 0.0003128000000000, 0.0000000000000000, -0.0002520200000000 ] - [ 0.0005659700000000, -0.0003262600000000, 0.0001414100000000 ] - [ 0.0214860500000000, 0.0000000000000000, 0.0273256600000000 ] - [ -0.0010665900000000, 0.0004006800000000, -0.0009242600000000 ] - [ -0.0010665900000000, -0.0004006800000000, -0.0009242600000000 ] - [ 0.0012823000000000, 0.0003253800000000, 0.0011054400000000 ] - [ 0.0009290900000000, 0.0000000000000000, 0.0005051600000000 ] - [ 0.0012823000000000, -0.0003253800000000, 0.0011054400000000 ] - [ -0.0062676900000000, 0.0000000000000000, 0.0017904300000000 ] - [ -0.0016965300000000, 0.0001638000000000, -0.0000940900000000 ] - [ -0.0016965300000000, -0.0001638000000000, -0.0000940900000000 ] - [ 0.0017040900000000, 0.0002740200000000, 0.0000770300000000 ] - [ 0.0009793900000000, 0.0000000000000000, 0.0001388600000000 ] - [ 0.0017040900000000, -0.0002740200000000, 0.0000770300000000 ] - [ -0.0096398300000000, 0.0000000000000000, 0.0080671100000000 ] - [ -0.0027622900000000, -0.0000987300000000, 0.0005704800000000 ] - [ -0.0027622900000000, 0.0000987300000000, 0.0005704800000000 ] - [ 0.0026869600000000, 0.0000937700000000, -0.0002529000000000 ] - [ 0.0019013400000000, 0.0000000000000000, -0.0002007600000000 ] - [ 0.0026869600000000, -0.0000937700000000, -0.0002529000000000 ] - [ 0.0042166600000000, 0.0000000000000000, -0.0013461600000000 ] - [ 0.0013633500000000, 0.0008545300000000, -0.0010145900000000 ] - [ 0.0013633500000000, -0.0008545300000000, -0.0010145900000000 ] - [ -0.0002082000000000, 0.0011596900000000, 0.0006096300000000 ] - [ 0.0002118200000000, 0.0000000000000000, 0.0006126600000000 ] - [ -0.0002082000000000, -0.0011596900000000, 0.0006096300000000 ] - [ 0.0048993200000000, 0.0000000000000000, 0.0016993100000000 ] - [ 0.0003286400000000, 0.0011092800000000, 0.0000058600000000 ] - [ 0.0003286400000000, -0.0011092800000000, 0.0000058600000000 ] - [ 0.0000875100000000, 0.0048230600000000, 0.0011417100000000 ] - [ -0.0005266400000000, 0.0000000000000000, 0.0001690300000000 ] - [ 0.0000875100000000, -0.0048230600000000, 0.0011417100000000 ] - [ 0.0022855000000000, 0.0000000000000000, 0.0033547500000000 ] - [ 0.0011876400000000, 0.0007896900000000, 0.0001324100000000 ] - [ 0.0011876400000000, -0.0007896900000000, 0.0001324100000000 ] - [ 0.0005493000000000, 0.0028385800000000, 0.0004035300000000 ] - [ -0.0006355700000000, 0.0000000000000000, 0.0005732700000000 ] - [ 0.0005493000000000, -0.0028385800000000, 0.0004035300000000 ] - [ 0.0007464100000000, -0.0002191000000000, 0.0015961500000000 ] - [ 0.0002620100000000, 0.0000000000000000, 0.0008033200000000 ] - [ 0.0007464100000000, 0.0002191000000000, 0.0015961500000000 ] - [ 0.0056184300000000, 0.0000000000000000, 0.0083784800000000 ] - [ 0.0000376900000000, -0.0004031800000000, 0.0000913100000000 ] - [ 0.0000376900000000, 0.0004031800000000, 0.0000913100000000 ] - [ 0.0017637800000000, -0.0001473600000000, 0.0000841900000000 ] - [ 0.0010738700000000, 0.0000000000000000, 0.0002965100000000 ] - [ 0.0017637800000000, 0.0001473600000000, 0.0000841900000000 ] - [ -0.0010166200000000, 0.0000000000000000, -0.0003025900000000 ] - [ -0.0005323400000000, -0.0001606800000000, -0.0005547000000000 ] - [ -0.0005323400000000, 0.0001606800000000, -0.0005547000000000 ] - [ 0.0019167400000000, -0.0001029100000000, 0.0007827300000000 ] - [ 0.0013875900000000, 0.0000000000000000, 0.0006339200000000 ] - [ 0.0019167400000000, 0.0001029100000000, 0.0007827300000000 ] - [ 0.0031584000000000, 0.0000000000000000, -0.0075616700000000 ] - [ -0.0009686100000000, -0.0003571400000000, -0.0010824500000000 ] - [ -0.0009686100000000, 0.0003571400000000, -0.0010824500000000 ] - [ 0.0017344700000000, -0.0000276800000000, 0.0000304500000000 ] - [ 0.0010695500000000, 0.0000000000000000, 0.0000177100000000 ] - [ 0.0017344700000000, 0.0000276800000000, 0.0000304500000000 ] - [ -0.1594249200000000, 0.0000000000000000, -0.1300740600000000 ] - [ -0.0021967200000000, -0.0005178700000000, 0.0001440700000000 ] - [ -0.0021967200000000, 0.0005178700000000, 0.0001440700000000 ] - [ 0.0035645100000000, -0.0056035700000000, -0.0012627600000000 ] - [ 0.0014281000000000, 0.0000000000000000, -0.0009971800000000 ] - [ 0.0035645100000000, 0.0056035700000000, -0.0012627600000000 ] - [ 0.0023873800000000, 0.0000000000000000, 0.0006761400000000 ] - [ 0.0010507600000000, -0.0005102900000000, 0.0006718300000000 ] - [ 0.0010507600000000, 0.0005102900000000, 0.0006718300000000 ] - [ 0.0010132400000000, -0.0013837600000000, -0.0001354800000000 ] - [ 0.0006535100000000, 0.0000000000000000, -0.0000034500000000 ] - [ 0.0010132400000000, 0.0013837600000000, -0.0001354800000000 ] - [ 0.0005805900000000, 0.0000000000000000, 0.0003927000000000 ] - [ -0.0005758200000000, -0.0005075200000000, -0.0000279900000000 ] - [ -0.0005758200000000, 0.0005075200000000, -0.0000279900000000 ] - [ 0.0024268700000000, -0.0012361000000000, 0.0001161400000000 ] - [ 0.0020990200000000, 0.0000000000000000, -0.0000506900000000 ] - [ 0.0024268700000000, 0.0012361000000000, 0.0001161400000000 ] - [ 0.0007994400000000, 0.0000000000000000, 0.0002985500000000 ] - [ -0.0008668200000000, -0.0009626700000000, 0.0002577300000000 ] - [ -0.0008668200000000, 0.0009626700000000, 0.0002577300000000 ]- atom: 46 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0001724600000000, -0.0018823500000000, 0.0001002000000000 ] - [ 0.0010078800000000, 0.0004775800000000, 0.0001330100000000 ] - [ -0.0006289000000000, 0.0004750500000000, 0.0000550300000000 ] - [ -0.0000760700000000, -0.0001207300000000, -0.0000759500000000 ] - [ -0.0001570900000000, 0.0002114800000000, -0.0001254600000000 ] - [ -0.0002383600000000, -0.0001151300000000, -0.0001727700000000 ] - [ 0.0010281400000000, -0.0015767900000000, 0.0000363200000000 ] - [ 0.0014578100000000, 0.0003655700000000, 0.0007846900000000 ] - [ 0.0006208800000000, 0.0003639400000000, -0.0006887700000000 ] - [ -0.0005855700000000, -0.0001497900000000, -0.0001556000000000 ] - [ -0.0006391200000000, 0.0002419700000000, -0.0002267400000000 ] - [ -0.0006887600000000, -0.0001390200000000, -0.0002943200000000 ] - [ -0.0014202800000000, -0.0007196200000000, -0.0001273300000000 ] - [ -0.0011242400000000, 0.0002833200000000, -0.0003835500000000 ] - [ -0.0017110700000000, 0.0002886600000000, 0.0001186300000000 ] - [ -0.0002293800000000, -0.0001180000000000, 0.0005479400000000 ] - [ -0.0003524500000000, 0.0002296200000000, 0.0005768600000000 ] - [ -0.0004759400000000, -0.0001089000000000, 0.0006054000000000 ] - [ -0.0000178300000000, -0.0001477300000000, 0.0001247800000000 ] - [ 0.0001811000000000, 0.0002390100000000, 0.0000958700000000 ] - [ 0.0003728800000000, -0.0001293500000000, 0.0000671100000000 ] - [ -0.0001494600000000, -0.0000378500000000, -0.0001033300000000 ] - [ -0.0003162700000000, 0.0000466300000000, -0.0002611300000000 ] - [ -0.0000071500000000, 0.0000534800000000, 0.0000063700000000 ] - [ 0.0010287400000000, -0.0000739700000000, 0.0000985800000000 ] - [ 0.0010363000000000, 0.0001314500000000, 0.0000407300000000 ] - [ 0.0010461700000000, -0.0000649100000000, -0.0000146400000000 ] - [ -0.0006298600000000, -0.0003339400000000, -0.0002284000000000 ] - [ -0.0009602100000000, 0.0001017800000000, -0.0001271000000000 ] - [ -0.0003259500000000, 0.0001084500000000, -0.0003236600000000 ] - [ -0.0014234100000000, -0.0000612800000000, -0.0002027500000000 ] - [ -0.0014200400000000, 0.0001251400000000, -0.0001303000000000 ] - [ -0.0014150900000000, -0.0000517600000000, -0.0000545900000000 ] - [ -0.0003266200000000, -0.0030671400000000, 0.0005869800000000 ] - [ -0.0016212500000000, 0.0005333000000000, 0.0005528900000000 ] - [ 0.0008809500000000, 0.0005272900000000, 0.0006019800000000 ] - [ 0.0003401500000000, 0.0000005000000000, 0.0003421900000000 ] - [ 0.0003234500000000, 0.0000046700000000, 0.0003286900000000 ] - [ 0.0003064000000000, 0.0000007400000000, 0.0003148100000000 ] - [ 0.0000090300000000, -0.0003228000000000, 0.0001642000000000 ] - [ -0.0000329000000000, 0.0000875800000000, 0.0002220600000000 ] - [ 0.0000531900000000, 0.0000872200000000, 0.0001145000000000 ] - [ 0.0000570600000000, -0.0004271700000000, -0.0002212100000000 ] - [ 0.0000963400000000, 0.0001564600000000, -0.0005491600000000 ] - [ 0.0000277800000000, 0.0001536200000000, 0.0000920300000000 ] - [ -0.0012669200000000, -0.0236610700000000, -0.0011531000000000 ] - [ -0.0000293600000000, 0.0006211900000000, -0.0001183100000000 ] - [ -0.0001923600000000, 0.0006119500000000, -0.0002339400000000 ] - [ 0.0003200000000000, 0.0001206800000000, 0.0003268900000000 ] - [ 0.0002314200000000, 0.0000046000000000, 0.0002660800000000 ] - [ 0.0004117100000000, 0.0000047900000000, 0.0003880900000000 ] - [ 0.0000236400000000, -0.0000006700000000, 0.0001806600000000 ] - [ 0.0000102800000000, 0.0000032700000000, 0.0001676800000000 ] - [ -0.0000018300000000, -0.0000005100000000, 0.0001560600000000 ] - [ 0.0000621400000000, -0.0000034300000000, -0.0002317200000000 ] - [ 0.0000614100000000, 0.0000050800000000, -0.0002251500000000 ] - [ 0.0000608100000000, -0.0000031800000000, -0.0002190500000000 ] - [ -0.0001136500000000, -0.0000049300000000, -0.0001756600000000 ] - [ -0.0001116000000000, 0.0000056300000000, -0.0001769400000000 ] - [ -0.0001093500000000, -0.0000046600000000, -0.0001778100000000 ] - [ -0.0002527100000000, 0.0009454200000000, 0.0000774100000000 ] - [ -0.0004145100000000, -0.0001705400000000, 0.0002440200000000 ] - [ -0.0000961200000000, -0.0001695500000000, -0.0000524800000000 ] - [ -0.0000208100000000, 0.0000295400000000, -0.0005770600000000 ] - [ 0.0000022000000000, -0.0000465100000000, -0.0005538700000000 ] - [ 0.0000277100000000, 0.0000279300000000, -0.0005187700000000 ] - [ 0.0000192000000000, 0.0103970600000000, -0.0000621200000000 ] - [ -0.0004456600000000, -0.0004775000000000, -0.0004478000000000 ] - [ 0.0005775100000000, -0.0004713400000000, 0.0004153100000000 ] - [ 0.0001470200000000, 0.0000255000000000, -0.0001228600000000 ] - [ 0.0001782200000000, -0.0000362500000000, -0.0000885100000000 ] - [ 0.0002126600000000, 0.0000234700000000, -0.0000561800000000 ] - [ 0.0001079400000000, 0.0003625200000000, 0.0002329100000000 ] - [ 0.0000657800000000, -0.0001028300000000, 0.0001047900000000 ] - [ 0.0001527600000000, -0.0001032400000000, 0.0003440700000000 ] - [ -0.0001993200000000, 0.0000193200000000, -0.0001265600000000 ] - [ -0.0001419100000000, -0.0000350400000000, -0.0001196200000000 ] - [ -0.0000852300000000, 0.0000177600000000, -0.0001146500000000 ] - [ -0.0006096400000000, 0.0000037100000000, 0.0001398200000000 ] - [ -0.0007063300000000, -0.0000890700000000, 0.0003723900000000 ] - [ -0.0005214600000000, -0.0000882800000000, -0.0000797500000000 ] - [ 0.0000559100000000, 0.0000102400000000, -0.0000253800000000 ] - [ 0.0000818100000000, -0.0000170100000000, -0.0000291800000000 ] - [ 0.0001068200000000, 0.0000091600000000, -0.0000322700000000 ] - [ 0.0009607700000000, 0.0002107800000000, -0.0009259500000000 ] - [ 0.0007979600000000, -0.0000953700000000, -0.0009139200000000 ] - [ 0.0011108300000000, -0.0000956900000000, -0.0009351900000000 ] - [ 0.0004562800000000, 0.0002281500000000, 0.0006518100000000 ] - [ 0.0005476600000000, -0.0004257700000000, 0.0006131200000000 ] - [ 0.0006382100000000, 0.0002212700000000, 0.0005750300000000 ] - [ 0.0003355100000000, -0.0001040600000000, 0.0000510700000000 ] - [ 0.0001847700000000, -0.0000933500000000, -0.0000097000000000 ] - [ 0.0004607400000000, -0.0000965100000000, 0.0001060900000000 ] - [ -0.0010010600000000, 0.0004283300000000, -0.0000889900000000 ] - [ -0.0007861700000000, -0.0004438100000000, -0.0000605600000000 ] - [ -0.0005728300000000, 0.0004204600000000, -0.0000350200000000 ] - [ 0.0016373300000000, 0.0002872600000000, -0.0001568600000000 ] - [ 0.0015406800000000, -0.0000750000000000, -0.0002174100000000 ] - [ 0.0017258100000000, -0.0000789900000000, -0.0001062500000000 ] - [ -0.0012706700000000, 0.0002712800000000, 0.0003511100000000 ] - [ -0.0010445400000000, -0.0003770700000000, 0.0004974400000000 ] - [ -0.0008220100000000, 0.0002649000000000, 0.0006439000000000 ] - [ -0.0001960600000000, 0.0000036100000000, 0.0002167500000000 ] - [ -0.0002556500000000, -0.0000281100000000, 0.0000901100000000 ] - [ -0.0003121600000000, 0.0000009800000000, -0.0000305500000000 ] - [ -0.0000234300000000, -0.0009949300000000, -0.0005888500000000 ] - [ 0.0001406600000000, -0.0000341500000000, -0.0003040100000000 ] - [ -0.0001284100000000, -0.0000347700000000, -0.0007833000000000 ] - [ 0.0001342800000000, 0.0000382400000000, -0.0000859700000000 ] - [ 0.0000683800000000, -0.0000274500000000, -0.0000116200000000 ] - [ 0.0000062000000000, 0.0000359400000000, 0.0000568000000000 ] - [ 0.0001828200000000, -0.0000146900000000, -0.0000886700000000 ] - [ 0.0002621500000000, -0.0000144300000000, -0.0000844900000000 ] - [ 0.0001024500000000, -0.0000157600000000, -0.0000935400000000 ] - [ 0.0001040300000000, 0.0000085500000000, 0.0002153600000000 ] - [ 0.0001097000000000, -0.0000178500000000, 0.0002250700000000 ] - [ 0.0001122100000000, 0.0000070000000000, 0.0002354400000000 ] - [ -0.0001578000000000, 0.0011786200000000, -0.0000966500000000 ] - [ 0.0001887400000000, -0.0001492500000000, -0.0002579900000000 ] - [ -0.0004646100000000, -0.0001493100000000, 0.0000138400000000 ] - [ -0.0006235100000000, 0.0000055500000000, 0.0001425700000000 ] - [ -0.0006137700000000, -0.0000106400000000, 0.0001430800000000 ] - [ -0.0006034300000000, 0.0000044900000000, 0.0001447100000000 ] - [ 0.0013028300000000, 0.0170806300000000, 0.0009852000000000 ] - [ 0.0008378100000000, -0.0007233600000000, 0.0000656700000000 ] - [ -0.0006579200000000, -0.0007098500000000, -0.0001231700000000 ] - [ 0.0014992700000000, 0.0005785000000000, -0.0005626000000000 ] - [ 0.0009607600000000, -0.0005527500000000, -0.0009254300000000 ] - [ 0.0004401800000000, 0.0005812800000000, -0.0012915200000000 ] - [ 0.0005413000000000, 0.0001068700000000, 0.0006138800000000 ] - [ 0.0005979100000000, -0.0000535100000000, 0.0006141000000000 ] - [ 0.0004987100000000, -0.0000582400000000, 0.0006119000000000 ] - [ 0.0003606900000000, 0.0001292200000000, 0.0000185200000000 ] - [ 0.0003252400000000, -0.0002155200000000, 0.0000482400000000 ] - [ 0.0002867200000000, 0.0001171900000000, 0.0000751200000000 ] - [ -0.0007888900000000, 0.0001210600000000, -0.0000612700000000 ] - [ -0.0007182600000000, -0.0000508500000000, -0.0000441600000000 ] - [ -0.0008498800000000, -0.0000555400000000, -0.0000728100000000 ] - [ 0.0016258500000000, 0.0000513300000000, -0.0001582100000000 ] - [ 0.0016343000000000, -0.0001306500000000, -0.0001610100000000 ] - [ 0.0016407700000000, 0.0000416600000000, -0.0001641900000000 ] - [ -0.0010607300000000, 0.0003171000000000, 0.0004968400000000 ] - [ -0.0009172000000000, -0.0001104000000000, 0.0004850600000000 ] - [ -0.0011630800000000, -0.0001121100000000, 0.0005094900000000 ]- atom: 46 displacement: [ -0.0020604768976038, 0.0000000000000000, 0.0097854195083523 ] forces: - [ 0.0067063100000000, 0.0000000000000000, -0.0097733900000000 ] - [ -0.0001563800000000, 0.0008414000000000, -0.0006710600000000 ] - [ -0.0001563800000000, -0.0008414000000000, -0.0006710600000000 ] - [ -0.0002037300000000, 0.0006435700000000, 0.0009349400000000 ] - [ -0.0000517600000000, 0.0000000000000000, 0.0001460700000000 ] - [ -0.0002037300000000, -0.0006435700000000, 0.0009349400000000 ] - [ 0.0042061800000000, 0.0000000000000000, 0.0173898700000000 ] - [ 0.0002749100000000, 0.0016972800000000, -0.0000441000000000 ] - [ 0.0002749100000000, -0.0016972800000000, -0.0000441000000000 ] - [ 0.0009061900000000, 0.0017634400000000, 0.0000472700000000 ] - [ -0.0000230800000000, 0.0000000000000000, -0.0000875800000000 ] - [ 0.0009061900000000, -0.0017634400000000, 0.0000472700000000 ] - [ -0.0050010100000000, 0.0000000000000000, 0.0032011000000000 ] - [ -0.0027589900000000, 0.0001102900000000, 0.0001365600000000 ] - [ -0.0027589900000000, -0.0001102900000000, 0.0001365600000000 ] - [ 0.0010760100000000, 0.0007601600000000, 0.0002292300000000 ] - [ 0.0005652400000000, 0.0000000000000000, 0.0004877100000000 ] - [ 0.0010760100000000, -0.0007601600000000, 0.0002292300000000 ] - [ 0.0022908600000000, -0.0015727900000000, 0.0001280500000000 ] - [ 0.0009397600000000, 0.0000000000000000, 0.0002185400000000 ] - [ 0.0022908600000000, 0.0015727900000000, 0.0001280500000000 ] - [ 0.0007276100000000, 0.0000000000000000, 0.0021263100000000 ] - [ -0.0000742300000000, -0.0003005800000000, 0.0003022600000000 ] - [ -0.0000742300000000, 0.0003005800000000, 0.0003022600000000 ] - [ 0.0017459800000000, -0.0002732800000000, -0.0002177600000000 ] - [ 0.0016048300000000, 0.0000000000000000, 0.0000612100000000 ] - [ 0.0017459800000000, 0.0002732800000000, -0.0002177600000000 ] - [ -0.0013740300000000, 0.0000000000000000, -0.0005834600000000 ] - [ -0.0009030800000000, -0.0002365600000000, -0.0005137200000000 ] - [ -0.0009030800000000, 0.0002365600000000, -0.0005137200000000 ] - [ -0.0000860300000000, -0.0002980500000000, 0.0005188200000000 ] - [ -0.0004602300000000, 0.0000000000000000, 0.0001133600000000 ] - [ -0.0000860300000000, 0.0002980500000000, 0.0005188200000000 ] - [ 0.0091745400000000, 0.0000000000000000, -0.0065533700000000 ] - [ -0.0012970800000000, -0.0018760900000000, 0.0003278700000000 ] - [ -0.0012970800000000, 0.0018760900000000, 0.0003278700000000 ] - [ 0.0010290900000000, 0.0000088000000000, 0.0008998400000000 ] - [ 0.0008049200000000, 0.0000000000000000, 0.0007131300000000 ] - [ 0.0010290900000000, -0.0000088000000000, 0.0008998400000000 ] - [ -0.0023532800000000, 0.0000000000000000, -0.0001926300000000 ] - [ -0.0006434600000000, 0.0000767100000000, -0.0002743200000000 ] - [ -0.0006434600000000, -0.0000767100000000, -0.0002743200000000 ] - [ 0.0071034900000000, 0.0000000000000000, 0.0061112700000000 ] - [ -0.0001502100000000, -0.0001766600000000, 0.0003518600000000 ] - [ -0.0001502100000000, 0.0001766600000000, 0.0003518600000000 ] - [ -0.0689881000000000, 0.0000000000000000, -0.1041309500000000 ] - [ -0.0008891800000000, -0.0000409000000000, -0.0008842800000000 ] - [ -0.0008891800000000, 0.0000409000000000, -0.0008842800000000 ] - [ 0.0005121200000000, 0.0000000000000000, 0.0003041200000000 ] - [ -0.0000939500000000, -0.0000324800000000, 0.0000419700000000 ] - [ -0.0000939500000000, 0.0000324800000000, 0.0000419700000000 ] - [ 0.0006968900000000, 0.0000113100000000, 0.0006522400000000 ] - [ 0.0004954700000000, 0.0000000000000000, 0.0005116000000000 ] - [ 0.0006968900000000, -0.0000113100000000, 0.0006522400000000 ] - [ 0.0002833900000000, 0.0000037500000000, -0.0007191500000000 ] - [ 0.0002292500000000, 0.0000000000000000, -0.0005985500000000 ] - [ 0.0002833900000000, -0.0000037500000000, -0.0007191500000000 ] - [ 0.0005777100000000, -0.0000013500000000, 0.0003107100000000 ] - [ 0.0003766200000000, 0.0000000000000000, 0.0001648500000000 ] - [ 0.0005777100000000, 0.0000013500000000, 0.0003107100000000 ] - [ 0.0025931800000000, 0.0000000000000000, 0.0035750400000000 ] - [ 0.0001481200000000, 0.0000176100000000, 0.0006102000000000 ] - [ 0.0001481200000000, -0.0000176100000000, 0.0006102000000000 ] - [ -0.0001989100000000, -0.0001162100000000, -0.0008644800000000 ] - [ -0.0001339300000000, 0.0000000000000000, -0.0006963600000000 ] - [ -0.0001989100000000, 0.0001162100000000, -0.0008644800000000 ] - [ -0.0213825600000000, 0.0000000000000000, -0.0068762000000000 ] - [ 0.0005149200000000, -0.0002513600000000, 0.0006681000000000 ] - [ 0.0005149200000000, 0.0002513600000000, 0.0006681000000000 ] - [ -0.0003160800000000, -0.0002002100000000, -0.0008515500000000 ] - [ -0.0001697700000000, 0.0000000000000000, -0.0004269900000000 ] - [ -0.0003160800000000, 0.0002002100000000, -0.0008515500000000 ] - [ 0.0030517700000000, 0.0000000000000000, -0.0023295500000000 ] - [ 0.0009805900000000, -0.0001716300000000, 0.0002005700000000 ] - [ 0.0009805900000000, 0.0001716300000000, 0.0002005700000000 ] - [ -0.0011264100000000, -0.0001733600000000, -0.0000706200000000 ] - [ -0.0007118800000000, 0.0000000000000000, -0.0002051600000000 ] - [ -0.0011264100000000, 0.0001733600000000, -0.0000706200000000 ] - [ -0.0004570900000000, 0.0000000000000000, -0.0006300400000000 ] - [ 0.0004000900000000, 0.0001237900000000, -0.0001433300000000 ] - [ 0.0004000900000000, -0.0001237900000000, -0.0001433300000000 ] - [ -0.0011965600000000, -0.0000420800000000, 0.0000840500000000 ] - [ -0.0008041100000000, 0.0000000000000000, 0.0000552600000000 ] - [ -0.0011965600000000, 0.0000420800000000, 0.0000840500000000 ] - [ -0.0007504700000000, 0.0000000000000000, -0.0008410600000000 ] - [ 0.0007706400000000, -0.0004200200000000, -0.0008600600000000 ] - [ 0.0007706400000000, 0.0004200200000000, -0.0008600600000000 ] - [ 0.0010904600000000, -0.0001982800000000, 0.0002652600000000 ] - [ 0.0007831000000000, 0.0000000000000000, 0.0005434400000000 ] - [ 0.0010904600000000, 0.0001982800000000, 0.0002652600000000 ] - [ -0.0032649600000000, 0.0000000000000000, -0.0011085800000000 ] - [ 0.0003119300000000, -0.0006544400000000, 0.0001308200000000 ] - [ 0.0003119300000000, 0.0006544400000000, 0.0001308200000000 ] - [ -0.0014347300000000, -0.0027430900000000, -0.0008585500000000 ] - [ -0.0009527300000000, 0.0000000000000000, -0.0002229100000000 ] - [ -0.0014347300000000, 0.0027430900000000, -0.0008585500000000 ] - [ 0.0016653800000000, 0.0000000000000000, -0.0018340500000000 ] - [ 0.0019128400000000, -0.0003678500000000, -0.0004149700000000 ] - [ 0.0019128400000000, 0.0003678500000000, -0.0004149700000000 ] - [ -0.0017635600000000, -0.0015162400000000, 0.0008714000000000 ] - [ -0.0012416900000000, 0.0000000000000000, 0.0005189100000000 ] - [ -0.0017635600000000, 0.0015162400000000, 0.0008714000000000 ] - [ -0.0008293200000000, 0.0001114500000000, -0.0009549300000000 ] - [ -0.0005359700000000, 0.0000000000000000, -0.0003347000000000 ] - [ -0.0008293200000000, -0.0001114500000000, -0.0009549300000000 ] - [ -0.0008802900000000, 0.0000000000000000, -0.0038416200000000 ] - [ -0.0000649000000000, 0.0002128300000000, -0.0010206300000000 ] - [ -0.0000649000000000, -0.0002128300000000, -0.0010206300000000 ] - [ -0.0009179600000000, 0.0001551800000000, 0.0002620800000000 ] - [ -0.0004531800000000, 0.0000000000000000, -0.0000924800000000 ] - [ -0.0009179600000000, -0.0001551800000000, 0.0002620800000000 ] - [ 0.0004244200000000, 0.0000000000000000, -0.0006097300000000 ] - [ 0.0005176600000000, 0.0000508000000000, 0.0000385700000000 ] - [ 0.0005176600000000, -0.0000508000000000, 0.0000385700000000 ] - [ -0.0007543000000000, 0.0000227700000000, -0.0000627100000000 ] - [ -0.0005131100000000, 0.0000000000000000, 0.0000166800000000 ] - [ -0.0007543000000000, -0.0000227700000000, -0.0000627100000000 ] - [ 0.0021710600000000, 0.0000000000000000, 0.0027481000000000 ] - [ 0.0003919100000000, 0.0000538900000000, 0.0004915400000000 ] - [ 0.0003919100000000, -0.0000538900000000, 0.0004915400000000 ] - [ -0.0017612200000000, 0.0000057700000000, 0.0001675100000000 ] - [ -0.0014395500000000, 0.0000000000000000, 0.0001954000000000 ] - [ -0.0017612200000000, -0.0000057700000000, 0.0001675100000000 ] - [ 0.0738019200000000, 0.0000000000000000, 0.1013401500000000 ] - [ 0.0011473500000000, 0.0002974300000000, 0.0000540500000000 ] - [ 0.0011473500000000, -0.0002974300000000, 0.0000540500000000 ] - [ -0.0004191200000000, 0.0040016800000000, -0.0005233800000000 ] - [ 0.0006304800000000, 0.0000000000000000, -0.0008604500000000 ] - [ -0.0004191200000000, -0.0040016800000000, -0.0005233800000000 ] - [ -0.0000382500000000, 0.0000000000000000, 0.0005446400000000 ] - [ 0.0003007200000000, 0.0002070500000000, 0.0005561900000000 ] - [ 0.0003007200000000, -0.0002070500000000, 0.0005561900000000 ] - [ 0.0002266300000000, 0.0002960300000000, 0.0003207800000000 ] - [ 0.0002073700000000, 0.0000000000000000, 0.0001257400000000 ] - [ 0.0002266300000000, -0.0002960300000000, 0.0003207800000000 ] - [ -0.0009831600000000, 0.0000000000000000, -0.0002396100000000 ] - [ -0.0008586200000000, 0.0001954600000000, -0.0000727800000000 ] - [ -0.0008586200000000, -0.0001954600000000, -0.0000727800000000 ] - [ 0.0013098600000000, 0.0004140600000000, -0.0002870600000000 ] - [ 0.0014158100000000, 0.0000000000000000, -0.0002230100000000 ] - [ 0.0013098600000000, -0.0004140600000000, -0.0002870600000000 ] - [ -0.0049579400000000, 0.0000000000000000, 0.0020079100000000 ] - [ -0.0011410900000000, 0.0006164600000000, 0.0007427000000000 ] - [ -0.0011410900000000, -0.0006164600000000, 0.0007427000000000 ]- atom: 46 displacement: [ 0.0020604768976038, 0.0000000000000000, -0.0097854195083523 ] forces: - [ -0.0062799200000000, 0.0000000000000000, 0.0099505300000000 ] - [ 0.0005144600000000, -0.0008268400000000, 0.0008569300000000 ] - [ 0.0005144600000000, 0.0008268400000000, 0.0008569300000000 ] - [ -0.0001040700000000, -0.0006323500000000, -0.0011827900000000 ] - [ -0.0002606300000000, 0.0000000000000000, -0.0003981900000000 ] - [ -0.0001040700000000, 0.0006323500000000, -0.0011827900000000 ] - [ -0.0020896700000000, 0.0000000000000000, -0.0171078000000000 ] - [ 0.0017899600000000, -0.0016808100000000, 0.0001228400000000 ] - [ 0.0017899600000000, 0.0016808100000000, 0.0001228400000000 ] - [ -0.0021689500000000, -0.0017444300000000, -0.0004936300000000 ] - [ -0.0012524200000000, 0.0000000000000000, -0.0003655000000000 ] - [ -0.0021689500000000, 0.0017444300000000, -0.0004936300000000 ] - [ 0.0021735500000000, 0.0000000000000000, -0.0034990000000000 ] - [ -0.0000982700000000, -0.0000970900000000, -0.0003960800000000 ] - [ -0.0000982700000000, 0.0000970900000000, -0.0003960800000000 ] - [ -0.0017614500000000, -0.0007488500000000, 0.0009235600000000 ] - [ -0.0012575000000000, 0.0000000000000000, 0.0006664800000000 ] - [ -0.0017614500000000, 0.0007488500000000, 0.0009235600000000 ] - [ -0.0019003600000000, 0.0015657500000000, 0.0000566500000000 ] - [ -0.0005631300000000, 0.0000000000000000, -0.0000254500000000 ] - [ -0.0019003600000000, -0.0015657500000000, 0.0000566500000000 ] - [ -0.0010211500000000, 0.0000000000000000, -0.0022911700000000 ] - [ -0.0002455100000000, 0.0002916700000000, -0.0005480100000000 ] - [ -0.0002455100000000, -0.0002916700000000, -0.0005480100000000 ] - [ 0.0003388400000000, 0.0002655300000000, 0.0003021500000000 ] - [ 0.0004773700000000, 0.0000000000000000, 0.0000192500000000 ] - [ 0.0003388400000000, -0.0002655300000000, 0.0003021500000000 ] - [ 0.0001063000000000, 0.0000000000000000, 0.0001261000000000 ] - [ -0.0003791400000000, 0.0002312900000000, 0.0000560700000000 ] - [ -0.0003791400000000, -0.0002312900000000, 0.0000560700000000 ] - [ -0.0027324000000000, 0.0002862300000000, -0.0007694000000000 ] - [ -0.0023651300000000, 0.0000000000000000, -0.0003694000000000 ] - [ -0.0027324000000000, -0.0002862300000000, -0.0007694000000000 ] - [ -0.0093734200000000, 0.0000000000000000, 0.0076090500000000 ] - [ 0.0005735000000000, 0.0018501900000000, 0.0008229500000000 ] - [ 0.0005735000000000, -0.0018501900000000, 0.0008229500000000 ] - [ -0.0003733400000000, -0.0000088200000000, -0.0002354800000000 ] - [ -0.0001519400000000, 0.0000000000000000, -0.0000509100000000 ] - [ -0.0003733400000000, 0.0000088200000000, -0.0002354800000000 ] - [ 0.0023352000000000, 0.0000000000000000, 0.0005172400000000 ] - [ 0.0006548200000000, -0.0000762600000000, 0.0006032500000000 ] - [ 0.0006548200000000, 0.0000762600000000, 0.0006032500000000 ] - [ -0.0071469500000000, 0.0000000000000000, -0.0067537500000000 ] - [ 0.0002678100000000, 0.0001763900000000, -0.0007899900000000 ] - [ 0.0002678100000000, -0.0001763900000000, -0.0007899900000000 ] - [ 0.0732035300000000, 0.0000000000000000, 0.1045126900000000 ] - [ 0.0006539400000000, 0.0000387600000000, 0.0005223100000000 ] - [ 0.0006539400000000, -0.0000387600000000, 0.0005223100000000 ] - [ 0.0000868700000000, 0.0000000000000000, 0.0003384500000000 ] - [ 0.0007304800000000, 0.0000324500000000, 0.0006075400000000 ] - [ 0.0007304800000000, -0.0000324500000000, 0.0006075400000000 ] - [ -0.0006661700000000, -0.0000112300000000, -0.0003091900000000 ] - [ -0.0004687600000000, 0.0000000000000000, -0.0001718500000000 ] - [ -0.0006661700000000, 0.0000112300000000, -0.0003091900000000 ] - [ -0.0001572300000000, -0.0000038100000000, 0.0002616300000000 ] - [ -0.0001041500000000, 0.0000000000000000, 0.0001435100000000 ] - [ -0.0001572300000000, 0.0000038100000000, 0.0002616300000000 ] - [ -0.0007910400000000, 0.0000013000000000, -0.0006572800000000 ] - [ -0.0005925500000000, 0.0000000000000000, -0.0005134500000000 ] - [ -0.0007910400000000, -0.0000013000000000, -0.0006572800000000 ] - [ -0.0031311200000000, 0.0000000000000000, -0.0033775600000000 ] - [ -0.0006536000000000, -0.0000199700000000, -0.0004209100000000 ] - [ -0.0006536000000000, 0.0000199700000000, -0.0004209100000000 ] - [ 0.0002016600000000, 0.0001137300000000, -0.0002328700000000 ] - [ 0.0001359600000000, 0.0000000000000000, -0.0004143900000000 ] - [ 0.0002016600000000, -0.0001137300000000, -0.0002328700000000 ] - [ 0.0210400500000000, 0.0000000000000000, 0.0068065600000000 ] - [ -0.0003651400000000, 0.0002501300000000, -0.0006848500000000 ] - [ -0.0003651400000000, -0.0002501300000000, -0.0006848500000000 ] - [ 0.0006687100000000, 0.0001983500000000, 0.0006655400000000 ] - [ 0.0005213100000000, 0.0000000000000000, 0.0002475000000000 ] - [ 0.0006687100000000, -0.0001983500000000, 0.0006655400000000 ] - [ -0.0028078600000000, 0.0000000000000000, 0.0027718900000000 ] - [ -0.0007516300000000, 0.0001695500000000, 0.0002537800000000 ] - [ -0.0007516300000000, -0.0001695500000000, 0.0002537800000000 ] - [ 0.0008298800000000, 0.0001711000000000, -0.0001712500000000 ] - [ 0.0004217100000000, 0.0000000000000000, -0.0000350900000000 ] - [ 0.0008298800000000, -0.0001711000000000, -0.0001712500000000 ] - [ -0.0007210300000000, 0.0000000000000000, 0.0009615800000000 ] - [ -0.0016095900000000, -0.0001246900000000, 0.0004269400000000 ] - [ -0.0016095900000000, 0.0001246900000000, 0.0004269400000000 ] - [ 0.0013420200000000, 0.0000421200000000, -0.0001404300000000 ] - [ 0.0009575400000000, 0.0000000000000000, -0.0001135200000000 ] - [ 0.0013420200000000, -0.0000421200000000, -0.0001404300000000 ] - [ 0.0026328500000000, 0.0000000000000000, -0.0010123300000000 ] - [ 0.0011391900000000, 0.0004111000000000, -0.0009886800000000 ] - [ 0.0011391900000000, -0.0004111000000000, -0.0009886800000000 ] - [ 0.0000038000000000, 0.0001750800000000, 0.0009615000000000 ] - [ 0.0003135700000000, 0.0000000000000000, 0.0006815200000000 ] - [ 0.0000038000000000, -0.0001750800000000, 0.0009615000000000 ] - [ 0.0038801100000000, 0.0000000000000000, 0.0011853100000000 ] - [ 0.0003380500000000, 0.0006466900000000, -0.0000322900000000 ] - [ 0.0003380500000000, -0.0006466900000000, -0.0000322900000000 ] - [ -0.0001389700000000, 0.0027209900000000, 0.0007365700000000 ] - [ -0.0006183100000000, 0.0000000000000000, 0.0001024800000000 ] - [ -0.0001389700000000, -0.0027209900000000, 0.0007365700000000 ] - [ 0.0016006200000000, 0.0000000000000000, 0.0015130800000000 ] - [ 0.0013579500000000, 0.0003634100000000, 0.0000918900000000 ] - [ 0.0013579500000000, -0.0003634100000000, 0.0000918900000000 ] - [ -0.0003311100000000, 0.0014944900000000, 0.0001253300000000 ] - [ -0.0008468200000000, 0.0000000000000000, 0.0004772100000000 ] - [ -0.0003311100000000, -0.0014944900000000, 0.0001253300000000 ] - [ 0.0003121600000000, -0.0001087800000000, 0.0011251000000000 ] - [ 0.0000196200000000, 0.0000000000000000, 0.0005054300000000 ] - [ 0.0003121600000000, 0.0001087800000000, 0.0011251000000000 ] - [ 0.0007915000000000, 0.0000000000000000, 0.0026169600000000 ] - [ 0.0000723300000000, -0.0002095800000000, -0.0000776800000000 ] - [ 0.0000723300000000, 0.0002095800000000, -0.0000776800000000 ] - [ 0.0010444500000000, -0.0001541900000000, -0.0002858800000000 ] - [ 0.0005809900000000, 0.0000000000000000, 0.0000730800000000 ] - [ 0.0010444500000000, 0.0001541900000000, -0.0002858800000000 ] - [ -0.0000320400000000, 0.0000000000000000, 0.0004357700000000 ] - [ -0.0001483700000000, -0.0000496100000000, -0.0002152600000000 ] - [ -0.0001483700000000, 0.0000496100000000, -0.0002152600000000 ] - [ 0.0009598100000000, -0.0000211600000000, 0.0005095000000000 ] - [ 0.0007246100000000, 0.0000000000000000, 0.0004310400000000 ] - [ 0.0009598100000000, 0.0000211600000000, 0.0005095000000000 ] - [ -0.0024781100000000, 0.0000000000000000, -0.0028886700000000 ] - [ -0.0006691300000000, -0.0000516400000000, -0.0007220400000000 ] - [ -0.0006691300000000, 0.0000516400000000, -0.0007220400000000 ] - [ 0.0005188200000000, -0.0000048800000000, 0.0001203800000000 ] - [ 0.0002007100000000, 0.0000000000000000, 0.0000912900000000 ] - [ 0.0005188200000000, 0.0000048800000000, 0.0001203800000000 ] - [ -0.0778446900000000, 0.0000000000000000, -0.1020096700000000 ] - [ -0.0009647700000000, -0.0002926100000000, -0.0001152200000000 ] - [ -0.0009647700000000, 0.0002926100000000, -0.0001152200000000 ] - [ 0.0023118200000000, -0.0039588000000000, -0.0013209900000000 ] - [ 0.0012809900000000, 0.0000000000000000, -0.0009885300000000 ] - [ 0.0023118200000000, 0.0039588000000000, -0.0013209900000000 ] - [ 0.0011121800000000, 0.0000000000000000, 0.0006807300000000 ] - [ 0.0007917600000000, -0.0002015700000000, 0.0006680100000000 ] - [ 0.0007917600000000, 0.0002015700000000, 0.0006680100000000 ] - [ 0.0004190900000000, -0.0002867500000000, -0.0002243900000000 ] - [ 0.0004410800000000, 0.0000000000000000, -0.0000277800000000 ] - [ 0.0004190900000000, 0.0002867500000000, -0.0002243900000000 ] - [ -0.0005947300000000, 0.0000000000000000, 0.0001139600000000 ] - [ -0.0007116800000000, -0.0001903000000000, -0.0000449800000000 ] - [ -0.0007116800000000, 0.0001903000000000, -0.0000449800000000 ] - [ 0.0019526300000000, -0.0004015200000000, -0.0000385000000000 ] - [ 0.0018501700000000, 0.0000000000000000, -0.0001002100000000 ] - [ 0.0019526300000000, 0.0004015200000000, -0.0000385000000000 ] - [ 0.0028702400000000, 0.0000000000000000, -0.0010214800000000 ] - [ -0.0009443400000000, -0.0006116000000000, 0.0002561300000000 ] - [ -0.0009443400000000, 0.0006116000000000, 0.0002561300000000 ]- atom: 61 displacement: [ 0.0099999983408567, 0.0000000000000000, 0.0000057604567923 ] forces: - [ 0.0339742500000000, 0.0000000000000000, 0.0525275200000000 ] - [ 0.0037373700000000, -0.0040160800000000, 0.0028084900000000 ] - [ 0.0037373700000000, 0.0040160800000000, 0.0028084900000000 ] - [ 0.0060483100000000, -0.0001805500000000, 0.0026000400000000 ] - [ 0.0014758300000000, 0.0000000000000000, 0.0002612600000000 ] - [ 0.0060483100000000, 0.0001805500000000, 0.0026000400000000 ] - [ 0.0079182800000000, 0.0000000000000000, -0.0036112700000000 ] - [ 0.0029580800000000, -0.0001316900000000, -0.0011355600000000 ] - [ 0.0029580800000000, 0.0001316900000000, -0.0011355600000000 ] - [ -0.0001655700000000, -0.0033873000000000, -0.0042201800000000 ] - [ -0.0006183700000000, 0.0000000000000000, -0.0011379000000000 ] - [ -0.0001655700000000, 0.0033873000000000, -0.0042201800000000 ] - [ 0.0172880400000000, 0.0000000000000000, 0.0002505400000000 ] - [ -0.0002647600000000, 0.0050118400000000, 0.0012610900000000 ] - [ -0.0002647600000000, -0.0050118400000000, 0.0012610900000000 ] - [ -0.0041349000000000, -0.0066263700000000, 0.0015366400000000 ] - [ -0.0011016300000000, 0.0000000000000000, 0.0012874200000000 ] - [ -0.0041349000000000, 0.0066263700000000, 0.0015366400000000 ] - [ -0.0013283500000000, 0.0004610300000000, -0.0002212600000000 ] - [ -0.0006450800000000, 0.0000000000000000, -0.0001230100000000 ] - [ -0.0013283500000000, -0.0004610300000000, -0.0002212600000000 ] - [ -0.0029849400000000, 0.0000000000000000, -0.0003815400000000 ] - [ -0.0008430700000000, 0.0002928800000000, -0.0003393900000000 ] - [ -0.0008430700000000, -0.0002928800000000, -0.0003393900000000 ] - [ -0.0003031700000000, 0.0003451900000000, -0.0002052400000000 ] - [ 0.0002627800000000, 0.0000000000000000, -0.0000904700000000 ] - [ -0.0003031700000000, -0.0003451900000000, -0.0002052400000000 ] - [ -0.0019386800000000, 0.0000000000000000, -0.0018835100000000 ] - [ -0.0008803000000000, 0.0003832900000000, -0.0003451100000000 ] - [ -0.0008803000000000, -0.0003832900000000, -0.0003451100000000 ] - [ -0.0031024700000000, 0.0002194900000000, -0.0004298400000000 ] - [ -0.0024133700000000, 0.0000000000000000, -0.0003106400000000 ] - [ -0.0031024700000000, -0.0002194900000000, -0.0004298400000000 ] - [ -0.0045104400000000, 0.0000000000000000, 0.0014442600000000 ] - [ -0.0005385300000000, 0.0007026800000000, 0.0006551600000000 ] - [ -0.0005385300000000, -0.0007026800000000, 0.0006551600000000 ] - [ -0.0002751300000000, -0.0000227000000000, -0.0001093400000000 ] - [ 0.0000268800000000, 0.0000000000000000, 0.0000943500000000 ] - [ -0.0002751300000000, 0.0000227000000000, -0.0001093400000000 ] - [ -0.0009329400000000, 0.0000000000000000, 0.0002787800000000 ] - [ 0.0002316900000000, 0.0000312400000000, 0.0003162900000000 ] - [ 0.0002316900000000, -0.0000312400000000, 0.0003162900000000 ] - [ -0.0044131400000000, 0.0000000000000000, 0.0058289200000000 ] - [ -0.0000035900000000, 0.0002645800000000, -0.0000572900000000 ] - [ -0.0000035900000000, -0.0002645800000000, -0.0000572900000000 ] - [ 0.0002655300000000, 0.0000000000000000, 0.0028211800000000 ] - [ 0.0004580300000000, 0.0001577100000000, 0.0003522100000000 ] - [ 0.0004580300000000, -0.0001577100000000, 0.0003522100000000 ] - [ -0.0056636300000000, 0.0000000000000000, -0.0037746100000000 ] - [ 0.0001522200000000, 0.0001328300000000, 0.0001616700000000 ] - [ 0.0001522200000000, -0.0001328300000000, 0.0001616700000000 ] - [ -0.0009093600000000, -0.0000201700000000, -0.0005414900000000 ] - [ -0.0004459400000000, 0.0000000000000000, -0.0001778800000000 ] - [ -0.0009093600000000, 0.0000201700000000, -0.0005414900000000 ] - [ -0.0003134200000000, -0.0000378900000000, 0.0007706300000000 ] - [ -0.0001153700000000, 0.0000000000000000, 0.0002351100000000 ] - [ -0.0003134200000000, 0.0000378900000000, 0.0007706300000000 ] - [ -0.0011220100000000, -0.0000566000000000, -0.0009738600000000 ] - [ -0.0006337800000000, 0.0000000000000000, -0.0005708700000000 ] - [ -0.0011220100000000, 0.0000566000000000, -0.0009738600000000 ] - [ -0.0621459800000000, 0.0000000000000000, -0.0819605900000000 ] - [ -0.0018796300000000, -0.0003724300000000, -0.0038882300000000 ] - [ -0.0018796300000000, 0.0003724300000000, -0.0038882300000000 ] - [ -0.0000541900000000, 0.0015026900000000, -0.0044751400000000 ] - [ -0.0004386000000000, 0.0000000000000000, -0.0018295200000000 ] - [ -0.0000541900000000, -0.0015026900000000, -0.0044751400000000 ] - [ -0.0059997200000000, 0.0000000000000000, -0.0044676900000000 ] - [ -0.0011598300000000, 0.0001167100000000, 0.0002794900000000 ] - [ -0.0011598300000000, -0.0001167100000000, 0.0002794900000000 ] - [ -0.0007621400000000, 0.0002790600000000, 0.0022856100000000 ] - [ -0.0000547600000000, 0.0000000000000000, 0.0006683300000000 ] - [ -0.0007621400000000, -0.0002790600000000, 0.0022856100000000 ] - [ -0.0004928800000000, 0.0000000000000000, 0.0067667400000000 ] - [ -0.0009000800000000, -0.0002990200000000, 0.0009412900000000 ] - [ -0.0009000800000000, 0.0002990200000000, 0.0009412900000000 ] - [ 0.0003768400000000, 0.0007742000000000, 0.0013707500000000 ] - [ 0.0001090900000000, 0.0000000000000000, 0.0002836000000000 ] - [ 0.0003768400000000, -0.0007742000000000, 0.0013707500000000 ] - [ 0.0159589700000000, 0.0000000000000000, 0.0080161300000000 ] - [ -0.0008194100000000, -0.0004743400000000, 0.0001902100000000 ] - [ -0.0008194100000000, 0.0004743400000000, 0.0001902100000000 ] - [ 0.0022058100000000, 0.0002703200000000, -0.0003313900000000 ] - [ 0.0009669800000000, 0.0000000000000000, -0.0001529200000000 ] - [ 0.0022058100000000, -0.0002703200000000, -0.0003313900000000 ] - [ 0.0126111800000000, 0.0000000000000000, 0.0028242500000000 ] - [ 0.0005811800000000, 0.0021594400000000, -0.0011125300000000 ] - [ 0.0005811800000000, -0.0021594400000000, -0.0011125300000000 ] - [ -0.0061579200000000, -0.0092487300000000, 0.0021793400000000 ] - [ -0.0007480400000000, 0.0000000000000000, 0.0006051400000000 ] - [ -0.0061579200000000, 0.0092487300000000, 0.0021793400000000 ] - [ 0.0009801800000000, 0.0000000000000000, 0.0085243400000000 ] - [ -0.0005249200000000, 0.0013287200000000, 0.0004763200000000 ] - [ -0.0005249200000000, -0.0013287200000000, 0.0004763200000000 ] - [ -0.0023666200000000, 0.0001627200000000, 0.0007644100000000 ] - [ -0.0012863900000000, 0.0000000000000000, 0.0002178100000000 ] - [ -0.0023666200000000, -0.0001627200000000, 0.0007644100000000 ] - [ -0.0025265000000000, 0.0000000000000000, -0.0034749800000000 ] - [ 0.0003522200000000, -0.0003150300000000, 0.0002062300000000 ] - [ 0.0003522200000000, 0.0003150300000000, 0.0002062300000000 ] - [ -0.0002737800000000, 0.0097114700000000, 0.0033840000000000 ] - [ -0.0009679600000000, 0.0000000000000000, 0.0007130200000000 ] - [ -0.0002737800000000, -0.0097114700000000, 0.0033840000000000 ] - [ 0.0002531700000000, -0.0000524900000000, 0.0007573700000000 ] - [ 0.0000436000000000, 0.0000000000000000, 0.0004980400000000 ] - [ 0.0002531700000000, 0.0000524900000000, 0.0007573700000000 ] - [ 0.0008817000000000, 0.0000000000000000, 0.0001723200000000 ] - [ 0.0001954000000000, -0.0001184400000000, -0.0002693800000000 ] - [ 0.0001954000000000, 0.0001184400000000, -0.0002693800000000 ] - [ 0.0011192600000000, -0.0000392600000000, 0.0003906400000000 ] - [ 0.0006417400000000, 0.0000000000000000, 0.0001986200000000 ] - [ 0.0011192600000000, 0.0000392600000000, 0.0003906400000000 ] - [ 0.0042170200000000, 0.0000000000000000, 0.0028506300000000 ] - [ 0.0004660700000000, -0.0001325400000000, 0.0000112600000000 ] - [ 0.0004660700000000, 0.0001325400000000, 0.0000112600000000 ] - [ 0.0012941400000000, -0.0000140200000000, 0.0006136700000000 ] - [ 0.0007653600000000, 0.0000000000000000, 0.0004128300000000 ] - [ 0.0012941400000000, 0.0000140200000000, 0.0006136700000000 ] - [ 0.0006157000000000, 0.0000000000000000, -0.0001156100000000 ] - [ -0.0001836000000000, -0.0001079100000000, -0.0002675200000000 ] - [ -0.0001836000000000, 0.0001079100000000, -0.0002675200000000 ] - [ 0.0006886800000000, 0.0000230700000000, -0.0002465000000000 ] - [ 0.0001127500000000, 0.0000000000000000, -0.0000341300000000 ] - [ 0.0006886800000000, -0.0000230700000000, -0.0002465000000000 ] - [ 0.0041771500000000, 0.0000000000000000, -0.0043018100000000 ] - [ -0.0001160700000000, -0.0002888400000000, -0.0004320300000000 ] - [ -0.0001160700000000, 0.0002888400000000, -0.0004320300000000 ] - [ 0.0016815400000000, -0.0010808900000000, -0.0010093500000000 ] - [ 0.0012941800000000, 0.0000000000000000, -0.0009555400000000 ] - [ 0.0016815400000000, 0.0010808900000000, -0.0010093500000000 ] - [ 0.0014875100000000, 0.0000000000000000, 0.0006001300000000 ] - [ 0.0009715800000000, -0.0000490800000000, 0.0006188300000000 ] - [ 0.0009715800000000, 0.0000490800000000, 0.0006188300000000 ] - [ 0.0008724200000000, -0.0006124700000000, 0.0001926800000000 ] - [ 0.0006287400000000, 0.0000000000000000, 0.0001046600000000 ] - [ 0.0008724200000000, 0.0006124700000000, 0.0001926800000000 ] - [ 0.0001603800000000, 0.0000000000000000, 0.0002893500000000 ] - [ -0.0004913800000000, -0.0001118700000000, 0.0000171900000000 ] - [ -0.0004913800000000, 0.0001118700000000, 0.0000171900000000 ] - [ 0.0022590500000000, -0.0004461300000000, -0.0000440800000000 ] - [ 0.0019787300000000, 0.0000000000000000, -0.0000943700000000 ] - [ 0.0022590500000000, 0.0004461300000000, -0.0000440800000000 ] - [ -0.0001772100000000, 0.0000000000000000, 0.0006640100000000 ] - [ -0.0008224600000000, -0.0002133500000000, 0.0005179500000000 ] - [ -0.0008224600000000, 0.0002133500000000, 0.0005179500000000 ]- atom: 61 displacement: [ -0.0099999983408567, 0.0000000000000000, -0.0000057604567923 ] forces: - [ -0.0341323300000000, 0.0000000000000000, -0.0518411800000000 ] - [ -0.0033629200000000, 0.0040190700000000, -0.0026084400000000 ] - [ -0.0033629200000000, -0.0040190700000000, -0.0026084400000000 ] - [ -0.0063499200000000, 0.0001844500000000, -0.0028407200000000 ] - [ -0.0017864000000000, 0.0000000000000000, -0.0005126100000000 ] - [ -0.0063499200000000, -0.0001844500000000, -0.0028407200000000 ] - [ -0.0058346200000000, 0.0000000000000000, 0.0036580900000000 ] - [ -0.0008823000000000, 0.0001359400000000, 0.0012130300000000 ] - [ -0.0008823000000000, -0.0001359400000000, 0.0012130300000000 ] - [ -0.0010923400000000, 0.0034205400000000, 0.0037649900000000 ] - [ -0.0006591400000000, 0.0000000000000000, 0.0006818900000000 ] - [ -0.0010923400000000, -0.0034205400000000, 0.0037649900000000 ] - [ -0.0199584900000000, 0.0000000000000000, 0.0000951700000000 ] - [ -0.0025873200000000, -0.0049821500000000, -0.0015174900000000 ] - [ -0.0025873200000000, 0.0049821500000000, -0.0015174900000000 ] - [ 0.0034308800000000, 0.0065765700000000, -0.0003841300000000 ] - [ 0.0003989000000000, 0.0000000000000000, -0.0001320800000000 ] - [ 0.0034308800000000, -0.0065765700000000, -0.0003841300000000 ] - [ 0.0016956600000000, -0.0004634600000000, 0.0004097800000000 ] - [ 0.0010126200000000, 0.0000000000000000, 0.0003143500000000 ] - [ 0.0016956600000000, 0.0004634600000000, 0.0004097800000000 ] - [ 0.0026776600000000, 0.0000000000000000, 0.0001302700000000 ] - [ 0.0005240900000000, -0.0002960600000000, 0.0000890900000000 ] - [ 0.0005240900000000, 0.0002960600000000, 0.0000890900000000 ] - [ 0.0023780000000000, -0.0003484100000000, 0.0002862900000000 ] - [ 0.0018122100000000, 0.0000000000000000, 0.0001698900000000 ] - [ 0.0023780000000000, 0.0003484100000000, 0.0002862900000000 ] - [ 0.0006490200000000, 0.0000000000000000, 0.0014413000000000 ] - [ -0.0004005300000000, -0.0003852200000000, -0.0001088700000000 ] - [ -0.0004005300000000, 0.0003852200000000, -0.0001088700000000 ] - [ 0.0002649800000000, -0.0002222600000000, 0.0001746200000000 ] - [ -0.0004238000000000, 0.0000000000000000, 0.0000528500000000 ] - [ 0.0002649800000000, 0.0002222600000000, 0.0001746200000000 ] - [ 0.0038255600000000, 0.0000000000000000, -0.0003076400000000 ] - [ -0.0001763000000000, -0.0007074700000000, 0.0004969600000000 ] - [ -0.0001763000000000, 0.0007074700000000, 0.0004969600000000 ] - [ 0.0009249000000000, 0.0000225600000000, 0.0007689300000000 ] - [ 0.0006213200000000, 0.0000000000000000, 0.0005639700000000 ] - [ 0.0009249000000000, -0.0000225600000000, 0.0007689300000000 ] - [ 0.0009125800000000, 0.0000000000000000, 0.0000554300000000 ] - [ -0.0002143600000000, -0.0000314800000000, 0.0000170800000000 ] - [ -0.0002143600000000, 0.0000314800000000, 0.0000170800000000 ] - [ 0.0045548600000000, 0.0000000000000000, -0.0063046200000000 ] - [ 0.0001248800000000, -0.0002658000000000, -0.0003882800000000 ] - [ 0.0001248800000000, 0.0002658000000000, -0.0003882800000000 ] - [ -0.0004840800000000, 0.0000000000000000, -0.0031897300000000 ] - [ -0.0006848700000000, -0.0001585400000000, -0.0007086000000000 ] - [ -0.0006848700000000, 0.0001585400000000, -0.0007086000000000 ] - [ 0.0063450900000000, 0.0000000000000000, 0.0044493000000000 ] - [ 0.0004901700000000, -0.0001333600000000, 0.0004920000000000 ] - [ 0.0004901700000000, 0.0001333600000000, 0.0004920000000000 ] - [ 0.0009316000000000, 0.0000201400000000, 0.0008780500000000 ] - [ 0.0004673300000000, 0.0000000000000000, 0.0005136600000000 ] - [ 0.0009316000000000, -0.0000201400000000, 0.0008780500000000 ] - [ 0.0004354700000000, 0.0000374700000000, -0.0012173500000000 ] - [ 0.0002383900000000, 0.0000000000000000, -0.0006850200000000 ] - [ 0.0004354700000000, -0.0000374700000000, -0.0012173500000000 ] - [ 0.0008980700000000, 0.0000564700000000, 0.0006193900000000 ] - [ 0.0004118100000000, 0.0000000000000000, 0.0002177800000000 ] - [ 0.0008980700000000, -0.0000564700000000, 0.0006193900000000 ] - [ 0.0620871700000000, 0.0000000000000000, 0.0809803300000000 ] - [ 0.0013694000000000, 0.0003661000000000, 0.0040619100000000 ] - [ 0.0013694000000000, -0.0003661000000000, 0.0040619100000000 ] - [ 0.0000729000000000, -0.0014918500000000, 0.0033641900000000 ] - [ 0.0004406400000000, 0.0000000000000000, 0.0007170500000000 ] - [ 0.0000729000000000, 0.0014918500000000, 0.0033641900000000 ] - [ 0.0061139900000000, 0.0000000000000000, 0.0045538900000000 ] - [ 0.0013012600000000, -0.0001159900000000, -0.0002988700000000 ] - [ 0.0013012600000000, 0.0001159900000000, -0.0002988700000000 ] - [ 0.0011214600000000, -0.0002828900000000, -0.0024725200000000 ] - [ 0.0004096800000000, 0.0000000000000000, -0.0008446600000000 ] - [ 0.0011214600000000, 0.0002828900000000, -0.0024725200000000 ] - [ 0.0007431300000000, 0.0000000000000000, -0.0062235900000000 ] - [ 0.0011200700000000, 0.0002960400000000, -0.0004850200000000 ] - [ 0.0011200700000000, -0.0002960400000000, -0.0004850200000000 ] - [ -0.0006733000000000, -0.0007695900000000, -0.0015954900000000 ] - [ -0.0003952700000000, 0.0000000000000000, -0.0005206200000000 ] - [ -0.0006733000000000, 0.0007695900000000, -0.0015954900000000 ] - [ -0.0174519000000000, 0.0000000000000000, -0.0079690800000000 ] - [ -0.0003989000000000, 0.0004751200000000, 0.0000951400000000 ] - [ -0.0003989000000000, -0.0004751200000000, 0.0000951400000000 ] - [ -0.0020380700000000, -0.0002686900000000, 0.0002715300000000 ] - [ -0.0008025100000000, 0.0000000000000000, 0.0000939400000000 ] - [ -0.0020380700000000, 0.0002686900000000, 0.0002715300000000 ] - [ -0.0105355800000000, 0.0000000000000000, -0.0045700900000000 ] - [ 0.0013248800000000, -0.0021515000000000, -0.0007356900000000 ] - [ 0.0013248800000000, 0.0021515000000000, -0.0007356900000000 ] - [ 0.0072502800000000, 0.0091822100000000, -0.0008960800000000 ] - [ 0.0018413400000000, 0.0000000000000000, 0.0006213300000000 ] - [ 0.0072502800000000, -0.0091822100000000, -0.0008960800000000 ] - [ -0.0003420400000000, 0.0000000000000000, -0.0084933500000000 ] - [ 0.0011737900000000, -0.0013321600000000, -0.0003765500000000 ] - [ 0.0011737900000000, 0.0013321600000000, -0.0003765500000000 ] - [ 0.0007960200000000, -0.0001665400000000, -0.0008786400000000 ] - [ -0.0002848600000000, 0.0000000000000000, -0.0003371600000000 ] - [ 0.0007960200000000, 0.0001665400000000, -0.0008786400000000 ] - [ 0.0058022900000000, 0.0000000000000000, 0.0031305300000000 ] - [ 0.0029139400000000, 0.0003144600000000, -0.0005268600000000 ] - [ 0.0029139400000000, -0.0003144600000000, -0.0005268600000000 ] - [ -0.0018249600000000, -0.0097081600000000, -0.0023884500000000 ] - [ -0.0011208300000000, 0.0000000000000000, 0.0002819600000000 ] - [ -0.0018249600000000, 0.0097081600000000, -0.0023884500000000 ] - [ -0.0007640600000000, 0.0000534100000000, -0.0005808000000000 ] - [ -0.0005565200000000, 0.0000000000000000, -0.0003227000000000 ] - [ -0.0007640600000000, -0.0000534100000000, -0.0005808000000000 ] - [ -0.0008808800000000, 0.0000000000000000, -0.0012789900000000 ] - [ -0.0001879500000000, 0.0001191500000000, -0.0008257200000000 ] - [ -0.0001879500000000, -0.0001191500000000, -0.0008257200000000 ] - [ -0.0009806000000000, 0.0000400700000000, -0.0004121000000000 ] - [ -0.0005069700000000, 0.0000000000000000, -0.0002165600000000 ] - [ -0.0009806000000000, -0.0000400700000000, -0.0004121000000000 ] - [ -0.0038871200000000, 0.0000000000000000, -0.0030492400000000 ] - [ -0.0001018300000000, 0.0001334200000000, -0.0001897400000000 ] - [ -0.0001018300000000, -0.0001334200000000, -0.0001897400000000 ] - [ -0.0010779100000000, 0.0000148500000000, -0.0001625600000000 ] - [ -0.0005468100000000, 0.0000000000000000, 0.0000372600000000 ] - [ -0.0010779100000000, -0.0000148500000000, -0.0001625600000000 ] - [ -0.0008791600000000, 0.0000000000000000, -0.0001094900000000 ] - [ -0.0000972900000000, 0.0001086100000000, 0.0000306300000000 ] - [ -0.0000972900000000, -0.0001086100000000, 0.0000306300000000 ] - [ -0.0019167500000000, -0.0000222800000000, 0.0005301500000000 ] - [ -0.0013423900000000, 0.0000000000000000, 0.0003195100000000 ] - [ -0.0019167500000000, 0.0000222800000000, 0.0005301500000000 ] - [ -0.0040816100000000, 0.0000000000000000, 0.0042653300000000 ] - [ 0.0002866100000000, 0.0002903600000000, 0.0003730900000000 ] - [ 0.0002866100000000, -0.0002903600000000, 0.0003730900000000 ] - [ 0.0002302000000000, 0.0010885900000000, -0.0008397500000000 ] - [ 0.0006209000000000, 0.0000000000000000, -0.0008943000000000 ] - [ 0.0002302000000000, -0.0010885900000000, -0.0008397500000000 ] - [ -0.0003977700000000, 0.0000000000000000, 0.0006258700000000 ] - [ 0.0001240300000000, 0.0000505800000000, 0.0006057500000000 ] - [ 0.0001240300000000, -0.0000505800000000, 0.0006057500000000 ] - [ -0.0002233700000000, 0.0006166900000000, -0.0000981900000000 ] - [ 0.0000217800000000, 0.0000000000000000, -0.0000070800000000 ] - [ -0.0002233700000000, -0.0006166900000000, -0.0000981900000000 ] - [ -0.0017326100000000, 0.0000000000000000, -0.0004104400000000 ] - [ -0.0010778200000000, 0.0001146100000000, -0.0001344400000000 ] - [ -0.0010778200000000, -0.0001146100000000, -0.0001344400000000 ] - [ 0.0010084000000000, 0.0004483700000000, -0.0002776800000000 ] - [ 0.0012899500000000, 0.0000000000000000, -0.0002276400000000 ] - [ 0.0010084000000000, -0.0004483700000000, -0.0002776800000000 ] - [ -0.0019088700000000, 0.0000000000000000, 0.0003322900000000 ] - [ -0.0012610500000000, 0.0002131700000000, 0.0004787200000000 ] - [ -0.0012610500000000, -0.0002131700000000, 0.0004787200000000 ]- atom: 61 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0000512900000000, 0.0154639300000000, -0.0005398200000000 ] - [ -0.0007290200000000, -0.0033781400000000, -0.0015452600000000 ] - [ 0.0010843400000000, -0.0033815600000000, 0.0017253900000000 ] - [ -0.0030337700000000, 0.0008308500000000, 0.0016465300000000 ] - [ -0.0001634900000000, -0.0017362200000000, -0.0001244700000000 ] - [ 0.0026888200000000, 0.0008007700000000, -0.0018900200000000 ] - [ 0.0010527700000000, 0.0018880300000000, 0.0000348700000000 ] - [ 0.0004670100000000, -0.0009026400000000, -0.0000280800000000 ] - [ 0.0015953500000000, -0.0009189100000000, 0.0001120300000000 ] - [ -0.0005615000000000, 0.0008412200000000, -0.0015949200000000 ] - [ -0.0006407000000000, -0.0012484300000000, -0.0002268600000000 ] - [ -0.0007012600000000, 0.0007850900000000, 0.0011330000000000 ] - [ -0.0013192300000000, 0.0130230800000000, 0.0004526200000000 ] - [ -0.0007288300000000, -0.0072147300000000, 0.0002969700000000 ] - [ -0.0021050600000000, -0.0071763300000000, -0.0005651300000000 ] - [ -0.0025111400000000, 0.0006829400000000, -0.0004482300000000 ] - [ -0.0003561100000000, -0.0016339500000000, 0.0005746500000000 ] - [ 0.0017915900000000, 0.0006570000000000, 0.0015915300000000 ] - [ 0.0001111800000000, 0.0001188100000000, 0.0000692300000000 ] - [ 0.0001842700000000, -0.0002322600000000, 0.0000953100000000 ] - [ 0.0002530700000000, 0.0001155200000000, 0.0001175600000000 ] - [ -0.0001618200000000, 0.0002138400000000, -0.0001239000000000 ] - [ 0.0000715000000000, -0.0001060400000000, -0.0000620600000000 ] - [ -0.0003859000000000, -0.0001069500000000, -0.0001850000000000 ] - [ 0.0008762100000000, 0.0001112000000000, -0.0000107100000000 ] - [ 0.0010356300000000, -0.0002194800000000, 0.0000394700000000 ] - [ 0.0011953800000000, 0.0001089600000000, 0.0000915900000000 ] - [ -0.0006463400000000, 0.0002302100000000, -0.0002269600000000 ] - [ -0.0004045000000000, -0.0001144700000000, -0.0001336300000000 ] - [ -0.0008705100000000, -0.0001170100000000, -0.0003183900000000 ] - [ -0.0017566200000000, 0.0001313800000000, -0.0001305100000000 ] - [ -0.0014214000000000, -0.0002603000000000, -0.0001294900000000 ] - [ -0.0010861500000000, 0.0001289400000000, -0.0001253400000000 ] - [ -0.0003582500000000, 0.0003981300000000, 0.0005711600000000 ] - [ 0.0003365400000000, -0.0001904100000000, 0.0005144300000000 ] - [ -0.0010397900000000, -0.0001936100000000, 0.0006367700000000 ] - [ -0.0000044500000000, 0.0000283800000000, 0.0001059400000000 ] - [ 0.0003220300000000, -0.0000434600000000, 0.0003276000000000 ] - [ 0.0006502900000000, 0.0000281900000000, 0.0005507900000000 ] - [ -0.0000119600000000, 0.0005143400000000, 0.0001677900000000 ] - [ 0.0002979500000000, 0.0000431500000000, 0.0003247300000000 ] - [ -0.0002733700000000, 0.0000414300000000, 0.0000128400000000 ] - [ 0.0000615900000000, 0.0015876800000000, -0.0002129400000000 ] - [ 0.0002747900000000, -0.0001678800000000, -0.0005592200000000 ] - [ -0.0001499300000000, -0.0001669700000000, 0.0001049700000000 ] - [ -0.0001157800000000, 0.0009456500000000, -0.0001858700000000 ] - [ 0.0001190600000000, -0.0001708500000000, -0.0001482600000000 ] - [ -0.0003416100000000, -0.0001700300000000, -0.0002067800000000 ] - [ 0.0003161500000000, -0.0009532900000000, 0.0003246400000000 ] - [ 0.0007323200000000, -0.0000327400000000, 0.0006736100000000 ] - [ -0.0000820700000000, -0.0000331800000000, -0.0000132300000000 ] - [ -0.0002289600000000, 0.0000068400000000, -0.0000025400000000 ] - [ 0.0000091900000000, -0.0000239600000000, 0.0001668200000000 ] - [ 0.0002502000000000, 0.0000067400000000, 0.0003386400000000 ] - [ -0.0000430300000000, 0.0000248900000000, -0.0000253600000000 ] - [ 0.0000608800000000, -0.0000385700000000, -0.0002242700000000 ] - [ 0.0001648700000000, 0.0000246600000000, -0.0004234800000000 ] - [ -0.0003336500000000, 0.0000021800000000, -0.0003364700000000 ] - [ -0.0001126300000000, -0.0000283600000000, -0.0001777400000000 ] - [ 0.0001085200000000, 0.0000021900000000, -0.0000186500000000 ] - [ -0.0001884600000000, -0.0386794500000000, 0.0002901500000000 ] - [ 0.0001195000000000, 0.0011408700000000, 0.0011068500000000 ] - [ -0.0006158900000000, 0.0011448700000000, -0.0008957600000000 ] - [ 0.0013608400000000, 0.0004175800000000, -0.0001868500000000 ] - [ 0.0000038700000000, 0.0003451100000000, -0.0005518400000000 ] - [ -0.0013369000000000, 0.0004134100000000, -0.0009023600000000 ] - [ 0.0000773600000000, -0.0029925700000000, -0.0000139500000000 ] - [ -0.0001068800000000, 0.0003283300000000, 0.0004406600000000 ] - [ 0.0002461600000000, 0.0003282700000000, -0.0004601300000000 ] - [ 0.0006822500000000, -0.0000925500000000, -0.0000807100000000 ] - [ 0.0001805000000000, 0.0002435000000000, -0.0000894000000000 ] - [ -0.0003165000000000, -0.0000853400000000, -0.0001058700000000 ] - [ 0.0001240900000000, 0.0003795800000000, 0.0002910000000000 ] - [ 0.0000883900000000, 0.0005470200000000, -0.0006406700000000 ] - [ 0.0001308600000000, 0.0005449600000000, 0.0010769300000000 ] - [ 0.0003479100000000, -0.0001534200000000, 0.0001500500000000 ] - [ -0.0001405400000000, 0.0002238300000000, -0.0001183100000000 ] - [ -0.0006334400000000, -0.0001486500000000, -0.0003836700000000 ] - [ -0.0005928100000000, -0.0022203500000000, 0.0001357900000000 ] - [ -0.0012961600000000, 0.0003091700000000, 0.0001540100000000 ] - [ 0.0000619500000000, 0.0003089100000000, 0.0001335600000000 ] - [ 0.0007454000000000, -0.0000544900000000, -0.0000436900000000 ] - [ 0.0000837500000000, 0.0001090800000000, -0.0000294200000000 ] - [ -0.0005783100000000, -0.0000536300000000, -0.0000139800000000 ] - [ 0.0009346500000000, -0.0026052300000000, -0.0009256900000000 ] - [ 0.0015231200000000, 0.0009907800000000, -0.0008704700000000 ] - [ 0.0003951300000000, 0.0009971400000000, -0.0009767100000000 ] - [ 0.0016195900000000, 0.0103882000000000, -0.0118796700000000 ] - [ 0.0005515500000000, 0.0037238900000000, 0.0006113200000000 ] - [ -0.0004985800000000, 0.0102383900000000, 0.0128821900000000 ] - [ 0.0003072500000000, -0.0011125300000000, -0.0000002200000000 ] - [ 0.0005446700000000, 0.0008934600000000, 0.0004004800000000 ] - [ 0.0001081500000000, 0.0009016700000000, -0.0002981100000000 ] - [ -0.0008013500000000, -0.0006753000000000, -0.0004389400000000 ] - [ -0.0007843300000000, 0.0013592100000000, -0.0000605700000000 ] - [ -0.0007672800000000, -0.0006485300000000, 0.0003156500000000 ] - [ 0.0016219200000000, -0.0025990700000000, -0.0001561900000000 ] - [ 0.0022125300000000, 0.0012228900000000, -0.0003319800000000 ] - [ 0.0010651400000000, 0.0012235800000000, 0.0000074500000000 ] - [ 0.0023462700000000, 0.0014404200000000, 0.0071567400000000 ] - [ -0.0010430900000000, 0.0019349100000000, 0.0004964500000000 ] - [ -0.0043859400000000, 0.0014274900000000, -0.0060828400000000 ] - [ -0.0001995500000000, -0.0000216700000000, 0.0001313200000000 ] - [ -0.0002561800000000, 0.0000434500000000, 0.0000886000000000 ] - [ -0.0003085300000000, -0.0000217200000000, 0.0000533300000000 ] - [ 0.0000031800000000, -0.0000754400000000, -0.0005509900000000 ] - [ -0.0001124300000000, 0.0000332300000000, -0.0006533100000000 ] - [ 0.0001182200000000, 0.0000339200000000, -0.0004445100000000 ] - [ 0.0002288300000000, -0.0000219800000000, 0.0000973000000000 ] - [ 0.0000680700000000, 0.0000440400000000, -0.0000102600000000 ] - [ -0.0000885600000000, -0.0000216300000000, -0.0001226500000000 ] - [ 0.0001836500000000, 0.0000012200000000, -0.0000863800000000 ] - [ -0.0001144400000000, 0.0000349100000000, -0.0002799800000000 ] - [ 0.0004729500000000, 0.0000354300000000, 0.0000982000000000 ] - [ 0.0003505800000000, -0.0000223600000000, 0.0003268500000000 ] - [ 0.0001105800000000, 0.0000467400000000, 0.0002255100000000 ] - [ -0.0001330500000000, -0.0000223400000000, 0.0001238900000000 ] - [ -0.0001303600000000, -0.0001074900000000, -0.0001134300000000 ] - [ -0.0004069600000000, 0.0000353000000000, -0.0001910900000000 ] - [ 0.0001211600000000, 0.0000361000000000, -0.0000485600000000 ] - [ -0.0002038100000000, -0.0000324600000000, 0.0001336200000000 ] - [ -0.0006120800000000, 0.0000584600000000, 0.0001428500000000 ] - [ -0.0010207200000000, -0.0000325900000000, 0.0001524900000000 ] - [ 0.0000844800000000, -0.0006308200000000, -0.0000288900000000 ] - [ -0.0005741500000000, 0.0001909500000000, 0.0001980100000000 ] - [ 0.0007321200000000, 0.0001903800000000, -0.0002526800000000 ] - [ 0.0009183100000000, -0.0002129600000000, -0.0009170500000000 ] - [ 0.0009568500000000, 0.0004146700000000, -0.0009251300000000 ] - [ 0.0009941800000000, -0.0002084700000000, -0.0009324100000000 ] - [ 0.0005478300000000, -0.0002771300000000, 0.0006132200000000 ] - [ 0.0005152700000000, 0.0001375400000000, 0.0006172400000000 ] - [ 0.0005799400000000, 0.0001389100000000, 0.0006080400000000 ] - [ 0.0003505600000000, -0.0001175800000000, 0.0000529200000000 ] - [ 0.0003245500000000, 0.0002339600000000, 0.0000486400000000 ] - [ 0.0002986400000000, -0.0001137400000000, 0.0000421700000000 ] - [ -0.0007833500000000, -0.0002098900000000, -0.0000590400000000 ] - [ -0.0008454100000000, 0.0001029700000000, -0.0000834400000000 ] - [ -0.0007245200000000, 0.0001042400000000, -0.0000340600000000 ] - [ 0.0016829500000000, -0.0000927900000000, -0.0001516800000000 ] - [ 0.0016341400000000, 0.0001834100000000, -0.0001611900000000 ] - [ 0.0015859400000000, -0.0000891200000000, -0.0001700400000000 ] - [ -0.0010409700000000, -0.0001758400000000, 0.0004980500000000 ] - [ -0.0011377700000000, 0.0000864500000000, 0.0004776900000000 ] - [ -0.0009478800000000, 0.0000909200000000, 0.0005177300000000 ]- atom: 61 displacement: [ -0.0020604768976038, 0.0000000000000000, 0.0097854195083523 ] forces: - [ 0.0352865100000000, 0.0000000000000000, 0.1073338500000000 ] - [ 0.0064661500000000, -0.0117368100000000, 0.0078061100000000 ] - [ 0.0064661500000000, 0.0117368100000000, 0.0078061100000000 ] - [ 0.0184626800000000, 0.0064045500000000, 0.0000134800000000 ] - [ 0.0044826300000000, 0.0000000000000000, 0.0006615400000000 ] - [ 0.0184626800000000, -0.0064045500000000, 0.0000134800000000 ] - [ 0.0159126900000000, 0.0000000000000000, -0.0353225200000000 ] - [ 0.0053914900000000, -0.0009983900000000, -0.0051226800000000 ] - [ 0.0053914900000000, 0.0009983900000000, -0.0051226800000000 ] - [ -0.0006502400000000, -0.0076584000000000, -0.0122269000000000 ] - [ -0.0004845900000000, 0.0000000000000000, -0.0028703200000000 ] - [ -0.0006502400000000, 0.0076584000000000, -0.0122269000000000 ] - [ 0.0208482300000000, 0.0000000000000000, 0.0740503600000000 ] - [ -0.0023477800000000, 0.0177366500000000, 0.0058110600000000 ] - [ -0.0023477800000000, -0.0177366500000000, 0.0058110600000000 ] - [ -0.0073406000000000, -0.0119018400000000, 0.0083098900000000 ] - [ -0.0011810600000000, 0.0000000000000000, 0.0029022200000000 ] - [ -0.0073406000000000, 0.0119018400000000, 0.0083098900000000 ] - [ -0.0013608900000000, 0.0002427500000000, -0.0003925600000000 ] - [ -0.0007994100000000, 0.0000000000000000, -0.0002042200000000 ] - [ -0.0013608900000000, -0.0002427500000000, -0.0003925600000000 ] - [ -0.0038226500000000, 0.0000000000000000, 0.0005456800000000 ] - [ -0.0014209100000000, 0.0002132200000000, -0.0002032400000000 ] - [ -0.0014209100000000, -0.0002132200000000, -0.0002032400000000 ] - [ -0.0008853300000000, 0.0002566900000000, -0.0003887800000000 ] - [ 0.0000073000000000, 0.0000000000000000, -0.0001720900000000 ] - [ -0.0008853300000000, -0.0002566900000000, -0.0003887800000000 ] - [ -0.0025009100000000, 0.0000000000000000, -0.0025266100000000 ] - [ -0.0012879800000000, 0.0003687400000000, -0.0007425600000000 ] - [ -0.0012879800000000, -0.0003687400000000, -0.0007425600000000 ] - [ -0.0032877900000000, 0.0000893800000000, -0.0004861100000000 ] - [ -0.0024617800000000, 0.0000000000000000, -0.0003422400000000 ] - [ -0.0032877900000000, -0.0000893800000000, -0.0004861100000000 ] - [ -0.0000616900000000, 0.0000000000000000, -0.0000046800000000 ] - [ -0.0006412500000000, 0.0001753100000000, 0.0005078700000000 ] - [ -0.0006412500000000, -0.0001753100000000, 0.0005078700000000 ] - [ -0.0001251200000000, -0.0000222700000000, -0.0000257100000000 ] - [ 0.0001766800000000, 0.0000000000000000, 0.0001947400000000 ] - [ -0.0001251200000000, 0.0000222700000000, -0.0000257100000000 ] - [ -0.0043510000000000, 0.0000000000000000, 0.0000080100000000 ] - [ -0.0002833500000000, -0.0000650000000000, -0.0000645200000000 ] - [ -0.0002833500000000, 0.0000650000000000, -0.0000645200000000 ] - [ -0.0025879900000000, 0.0000000000000000, 0.0124193000000000 ] - [ -0.0002979800000000, 0.0001018800000000, 0.0012729900000000 ] - [ -0.0002979800000000, -0.0001018800000000, 0.0012729900000000 ] - [ 0.0078148500000000, 0.0000000000000000, 0.0044016800000000 ] - [ 0.0006207900000000, -0.0001804300000000, 0.0004110800000000 ] - [ 0.0006207900000000, 0.0001804300000000, 0.0004110800000000 ] - [ -0.0069761300000000, 0.0000000000000000, -0.0058022400000000 ] - [ -0.0006262800000000, 0.0002038500000000, -0.0005145800000000 ] - [ -0.0006262800000000, -0.0002038500000000, -0.0005145800000000 ] - [ -0.0014012100000000, -0.0000403800000000, -0.0010205400000000 ] - [ -0.0005142500000000, 0.0000000000000000, -0.0002688900000000 ] - [ -0.0014012100000000, 0.0000403800000000, -0.0010205400000000 ] - [ -0.0003564900000000, -0.0000669200000000, 0.0013087900000000 ] - [ -0.0001269700000000, 0.0000000000000000, 0.0004050700000000 ] - [ -0.0003564900000000, 0.0000669200000000, 0.0013087900000000 ] - [ -0.0013883300000000, -0.0001041100000000, -0.0013646700000000 ] - [ -0.0007101800000000, 0.0000000000000000, -0.0006646700000000 ] - [ -0.0013883300000000, 0.0001041100000000, -0.0013646700000000 ] - [ -0.0678866000000000, 0.0000000000000000, -0.2845803900000000 ] - [ -0.0037982300000000, -0.0009174000000000, -0.0126070100000000 ] - [ -0.0037982300000000, 0.0009174000000000, -0.0126070100000000 ] - [ -0.0037970000000000, 0.0005052800000000, -0.0104111900000000 ] - [ -0.0013061100000000, 0.0000000000000000, -0.0040667700000000 ] - [ -0.0037970000000000, -0.0005052800000000, -0.0104111900000000 ] - [ -0.0223808100000000, 0.0000000000000000, 0.0377058600000000 ] - [ -0.0018665100000000, 0.0009087300000000, 0.0018970800000000 ] - [ -0.0018665100000000, -0.0009087300000000, 0.0018970800000000 ] - [ -0.0037899500000000, 0.0002643600000000, 0.0074177200000000 ] - [ -0.0009923900000000, 0.0000000000000000, 0.0019779800000000 ] - [ -0.0037899500000000, -0.0002643600000000, 0.0074177200000000 ] - [ -0.0057794500000000, 0.0000000000000000, 0.0288407700000000 ] - [ -0.0016749300000000, -0.0012212900000000, 0.0034706900000000 ] - [ -0.0016749300000000, 0.0012212900000000, 0.0034706900000000 ] - [ 0.0012262900000000, 0.0014821100000000, 0.0022584800000000 ] - [ 0.0000688700000000, 0.0000000000000000, 0.0004543600000000 ] - [ 0.0012262900000000, -0.0014821100000000, 0.0022584800000000 ] - [ 0.0197990200000000, 0.0000000000000000, -0.0041534500000000 ] - [ 0.0009796600000000, -0.0007271900000000, -0.0005359500000000 ] - [ 0.0009796600000000, 0.0007271900000000, -0.0005359500000000 ] - [ 0.0032197600000000, 0.0006479600000000, -0.0006632600000000 ] - [ 0.0011272600000000, 0.0000000000000000, -0.0002806600000000 ] - [ 0.0032197600000000, -0.0006479600000000, -0.0006632600000000 ] - [ 0.0228931800000000, 0.0000000000000000, -0.0054174900000000 ] - [ 0.0009321600000000, 0.0039832700000000, -0.0020063300000000 ] - [ 0.0009321600000000, -0.0039832700000000, -0.0020063300000000 ] - [ -0.0076650100000000, -0.0392340900000000, 0.0128565900000000 ] - [ -0.0026227600000000, 0.0000000000000000, 0.0006841500000000 ] - [ -0.0076650100000000, 0.0392340900000000, 0.0128565900000000 ] - [ 0.0023222700000000, 0.0000000000000000, 0.0206583000000000 ] - [ -0.0012370400000000, 0.0029061200000000, 0.0013217600000000 ] - [ -0.0012370400000000, -0.0029061200000000, 0.0013217600000000 ] - [ -0.0034382800000000, 0.0019916500000000, 0.0042055100000000 ] - [ -0.0018333400000000, 0.0000000000000000, 0.0011390100000000 ] - [ -0.0034382800000000, -0.0019916500000000, 0.0042055100000000 ] - [ -0.0145396100000000, 0.0000000000000000, 0.0147208800000000 ] - [ -0.0011169300000000, -0.0023202700000000, 0.0016510100000000 ] - [ -0.0011169300000000, 0.0023202700000000, 0.0016510100000000 ] - [ 0.0047642100000000, 0.0266699400000000, 0.0054060800000000 ] - [ -0.0004240100000000, 0.0000000000000000, 0.0011654000000000 ] - [ 0.0047642100000000, -0.0266699400000000, 0.0054060800000000 ] - [ 0.0002940200000000, -0.0000223600000000, 0.0007200900000000 ] - [ 0.0000833800000000, 0.0000000000000000, 0.0005316700000000 ] - [ 0.0002940200000000, 0.0000223600000000, 0.0007200900000000 ] - [ 0.0004644900000000, 0.0000000000000000, -0.0010949200000000 ] - [ 0.0002754800000000, -0.0000672000000000, -0.0003978600000000 ] - [ 0.0002754800000000, 0.0000672000000000, -0.0003978600000000 ] - [ 0.0013938000000000, -0.0000007200000000, 0.0006625900000000 ] - [ 0.0007629600000000, 0.0000000000000000, 0.0002811200000000 ] - [ 0.0013938000000000, 0.0000007200000000, 0.0006625900000000 ] - [ 0.0054960700000000, 0.0000000000000000, 0.0033111500000000 ] - [ 0.0011678400000000, -0.0001596300000000, 0.0003639200000000 ] - [ 0.0011678400000000, 0.0001596300000000, 0.0003639200000000 ] - [ 0.0018208400000000, 0.0000165500000000, 0.0009091500000000 ] - [ 0.0008884700000000, 0.0000000000000000, 0.0004707500000000 ] - [ 0.0018208400000000, -0.0000165500000000, 0.0009091500000000 ] - [ 0.0017861900000000, 0.0000000000000000, 0.0018102300000000 ] - [ 0.0001578400000000, -0.0000678400000000, 0.0001803700000000 ] - [ 0.0001578400000000, 0.0000678400000000, 0.0001803700000000 ] - [ 0.0007360700000000, 0.0000371000000000, -0.0005751600000000 ] - [ 0.0000428000000000, 0.0000000000000000, -0.0001701200000000 ] - [ 0.0007360700000000, -0.0000371000000000, -0.0005751600000000 ] - [ -0.0034908100000000, 0.0000000000000000, -0.0073872200000000 ] - [ -0.0000448300000000, 0.0000657900000000, -0.0010637000000000 ] - [ -0.0000448300000000, -0.0000657900000000, -0.0010637000000000 ] - [ 0.0014023700000000, -0.0002973600000000, -0.0009148700000000 ] - [ 0.0013128100000000, 0.0000000000000000, -0.0009325800000000 ] - [ 0.0014023700000000, 0.0002973600000000, -0.0009148700000000 ] - [ 0.0016085000000000, 0.0000000000000000, 0.0005990300000000 ] - [ 0.0011184600000000, 0.0000742400000000, 0.0006140200000000 ] - [ 0.0011184600000000, -0.0000742400000000, 0.0006140200000000 ] - [ 0.0011373800000000, -0.0006086600000000, 0.0003637800000000 ] - [ 0.0007905500000000, 0.0000000000000000, 0.0001938700000000 ] - [ 0.0011373800000000, 0.0006086600000000, 0.0003637800000000 ] - [ 0.0004060800000000, 0.0000000000000000, 0.0003520100000000 ] - [ -0.0002864500000000, -0.0000030300000000, 0.0000826700000000 ] - [ -0.0002864500000000, 0.0000030300000000, 0.0000826700000000 ] - [ 0.0024636000000000, -0.0003691100000000, -0.0000047400000000 ] - [ 0.0021033300000000, 0.0000000000000000, -0.0000696800000000 ] - [ 0.0024636000000000, 0.0003691100000000, -0.0000047400000000 ] - [ -0.0004330500000000, 0.0000000000000000, 0.0010156400000000 ] - [ -0.0007230100000000, -0.0000606600000000, 0.0006586700000000 ] - [ -0.0007230100000000, 0.0000606600000000, 0.0006586700000000 ]- atom: 61 displacement: [ 0.0020604768976038, 0.0000000000000000, -0.0097854195083523 ] forces: - [ -0.0312615300000000, 0.0000000000000000, -0.0995601300000000 ] - [ -0.0061073900000000, 0.0117822700000000, -0.0075977600000000 ] - [ -0.0061073900000000, -0.0117822700000000, -0.0075977600000000 ] - [ -0.0188600800000000, -0.0063989300000000, -0.0003833900000000 ] - [ -0.0048260000000000, 0.0000000000000000, -0.0009233500000000 ] - [ -0.0188600800000000, 0.0063989300000000, -0.0003833900000000 ] - [ -0.0139529300000000, 0.0000000000000000, 0.0354709200000000 ] - [ -0.0033276000000000, 0.0009895600000000, 0.0052297900000000 ] - [ -0.0033276000000000, -0.0009895600000000, 0.0052297900000000 ] - [ -0.0006583900000000, 0.0076445700000000, 0.0118103500000000 ] - [ -0.0008050200000000, 0.0000000000000000, 0.0024218300000000 ] - [ -0.0006583900000000, -0.0076445700000000, 0.0118103500000000 ] - [ -0.0256670800000000, 0.0000000000000000, -0.0816423400000000 ] - [ -0.0004769300000000, -0.0178152700000000, -0.0061342200000000 ] - [ -0.0004769300000000, 0.0178152700000000, -0.0061342200000000 ] - [ 0.0066680600000000, 0.0119412100000000, -0.0071222500000000 ] - [ 0.0004710100000000, 0.0000000000000000, -0.0017530200000000 ] - [ 0.0066680600000000, -0.0119412100000000, -0.0071222500000000 ] - [ 0.0017260700000000, -0.0002408300000000, 0.0005830300000000 ] - [ 0.0011664800000000, 0.0000000000000000, 0.0003965300000000 ] - [ 0.0017260700000000, 0.0002408300000000, 0.0005830300000000 ] - [ 0.0035117000000000, 0.0000000000000000, -0.0008020300000000 ] - [ 0.0011073000000000, -0.0002134000000000, -0.0000489000000000 ] - [ 0.0011073000000000, 0.0002134000000000, -0.0000489000000000 ] - [ 0.0029620700000000, -0.0002560500000000, 0.0004724400000000 ] - [ 0.0020671200000000, 0.0000000000000000, 0.0002525000000000 ] - [ 0.0029620700000000, 0.0002560500000000, 0.0004724400000000 ] - [ 0.0012270100000000, 0.0000000000000000, 0.0020735600000000 ] - [ 0.0000133700000000, -0.0003690700000000, 0.0002921800000000 ] - [ 0.0000133700000000, 0.0003690700000000, 0.0002921800000000 ] - [ 0.0004502100000000, -0.0000884700000000, 0.0002286600000000 ] - [ -0.0003785900000000, 0.0000000000000000, 0.0000832500000000 ] - [ 0.0004502100000000, 0.0000884700000000, 0.0002286600000000 ] - [ -0.0006889200000000, 0.0000000000000000, 0.0011718900000000 ] - [ -0.0000718200000000, -0.0001713200000000, 0.0006485300000000 ] - [ -0.0000718200000000, 0.0001713200000000, 0.0006485300000000 ] - [ 0.0007710500000000, 0.0000220500000000, 0.0006805200000000 ] - [ 0.0004667700000000, 0.0000000000000000, 0.0004597300000000 ] - [ 0.0007710500000000, -0.0000220500000000, 0.0006805200000000 ] - [ 0.0043822300000000, 0.0000000000000000, 0.0003285100000000 ] - [ 0.0003091600000000, 0.0000644900000000, 0.0004039800000000 ] - [ 0.0003091600000000, -0.0000644900000000, 0.0004039800000000 ] - [ 0.0026541300000000, 0.0000000000000000, -0.0129675200000000 ] - [ 0.0004206900000000, -0.0000977400000000, -0.0017336800000000 ] - [ 0.0004206900000000, 0.0000977400000000, -0.0017336800000000 ] - [ -0.0080670300000000, 0.0000000000000000, -0.0046886500000000 ] - [ -0.0008438800000000, 0.0001850100000000, -0.0007607100000000 ] - [ -0.0008438800000000, -0.0001850100000000, -0.0007607100000000 ] - [ 0.0076328000000000, 0.0000000000000000, 0.0064837700000000 ] - [ 0.0012767300000000, -0.0002048800000000, 0.0011752800000000 ] - [ 0.0012767300000000, 0.0002048800000000, 0.0011752800000000 ] - [ 0.0014233600000000, 0.0000401300000000, 0.0013575700000000 ] - [ 0.0005329100000000, 0.0000000000000000, 0.0006029900000000 ] - [ 0.0014233600000000, -0.0000401300000000, 0.0013575700000000 ] - [ 0.0004811500000000, 0.0000669400000000, -0.0017612100000000 ] - [ 0.0002495100000000, 0.0000000000000000, -0.0008542500000000 ] - [ 0.0004811500000000, -0.0000669400000000, -0.0017612100000000 ] - [ 0.0011681400000000, 0.0001045300000000, 0.0010133600000000 ] - [ 0.0004865400000000, 0.0000000000000000, 0.0003108400000000 ] - [ 0.0011681400000000, -0.0001045300000000, 0.0010133600000000 ] - [ 0.0657487500000000, 0.0000000000000000, 0.2846300400000000 ] - [ 0.0032985300000000, 0.0008996200000000, 0.0128462900000000 ] - [ 0.0032985300000000, -0.0008996200000000, 0.0128462900000000 ] - [ 0.0037844000000000, -0.0005433400000000, 0.0093814300000000 ] - [ 0.0013185800000000, 0.0000000000000000, 0.0029797000000000 ] - [ 0.0037844000000000, 0.0005433400000000, 0.0093814300000000 ] - [ 0.0223303800000000, 0.0000000000000000, -0.0375063000000000 ] - [ 0.0020058200000000, -0.0009141600000000, -0.0019358300000000 ] - [ 0.0020058200000000, 0.0009141600000000, -0.0019358300000000 ] - [ 0.0041682400000000, -0.0002613700000000, -0.0076059600000000 ] - [ 0.0013583800000000, 0.0000000000000000, -0.0021589900000000 ] - [ 0.0041682400000000, 0.0002613700000000, -0.0076059600000000 ] - [ 0.0060366200000000, 0.0000000000000000, -0.0286997800000000 ] - [ 0.0018941700000000, 0.0012268900000000, -0.0030336800000000 ] - [ 0.0018941700000000, -0.0012268900000000, -0.0030336800000000 ] - [ -0.0014988400000000, -0.0014888200000000, -0.0025201700000000 ] - [ -0.0003466600000000, 0.0000000000000000, -0.0006964400000000 ] - [ -0.0014988400000000, 0.0014888200000000, -0.0025201700000000 ] - [ -0.0211292000000000, 0.0000000000000000, 0.0046694500000000 ] - [ -0.0022220800000000, 0.0007256400000000, 0.0008326600000000 ] - [ -0.0022220800000000, -0.0007256400000000, 0.0008326600000000 ] - [ -0.0030593100000000, -0.0006465600000000, 0.0006050000000000 ] - [ -0.0009580800000000, 0.0000000000000000, 0.0002217000000000 ] - [ -0.0030593100000000, 0.0006465600000000, 0.0006050000000000 ] - [ -0.0209361500000000, 0.0000000000000000, 0.0034059700000000 ] - [ 0.0009884500000000, -0.0039983500000000, 0.0001534000000000 ] - [ 0.0009884500000000, 0.0039983500000000, 0.0001534000000000 ] - [ 0.0088442200000000, 0.0397038900000000, -0.0116492000000000 ] - [ 0.0037402700000000, 0.0000000000000000, 0.0005399200000000 ] - [ 0.0088442200000000, -0.0397038900000000, -0.0116492000000000 ] - [ -0.0016225100000000, 0.0000000000000000, -0.0204375800000000 ] - [ 0.0018919300000000, -0.0029104900000000, -0.0012275600000000 ] - [ 0.0018919300000000, 0.0029104900000000, -0.0012275600000000 ] - [ 0.0018860500000000, -0.0019594000000000, -0.0043230300000000 ] - [ 0.0002689000000000, 0.0000000000000000, -0.0012611600000000 ] - [ 0.0018860500000000, 0.0019594000000000, -0.0043230300000000 ] - [ 0.0179785000000000, 0.0000000000000000, -0.0150889300000000 ] - [ 0.0044029900000000, 0.0023301700000000, -0.0019776100000000 ] - [ 0.0044029900000000, -0.0023301700000000, -0.0019776100000000 ] - [ -0.0068681400000000, -0.0265885700000000, -0.0045112100000000 ] - [ -0.0016561900000000, 0.0000000000000000, -0.0001699300000000 ] - [ -0.0068681400000000, 0.0265885700000000, -0.0045112100000000 ] - [ -0.0008044600000000, 0.0000225600000000, -0.0005408600000000 ] - [ -0.0005960000000000, 0.0000000000000000, -0.0003558800000000 ] - [ -0.0008044600000000, -0.0000225600000000, -0.0005408600000000 ] - [ -0.0004570000000000, 0.0000000000000000, 0.0000005200000000 ] - [ -0.0002685200000000, 0.0000667600000000, -0.0006956500000000 ] - [ -0.0002685200000000, -0.0000667600000000, -0.0006956500000000 ] - [ -0.0012577900000000, 0.0000004700000000, -0.0006883100000000 ] - [ -0.0006275300000000, 0.0000000000000000, -0.0002993800000000 ] - [ -0.0012577900000000, -0.0000004700000000, -0.0006883100000000 ] - [ -0.0051460300000000, 0.0000000000000000, -0.0034850900000000 ] - [ -0.0008108700000000, 0.0001602200000000, -0.0005451300000000 ] - [ -0.0008108700000000, -0.0001602200000000, -0.0005451300000000 ] - [ -0.0016043400000000, -0.0000162400000000, -0.0004581600000000 ] - [ -0.0006669500000000, 0.0000000000000000, -0.0000195800000000 ] - [ -0.0016043400000000, 0.0000162400000000, -0.0004581600000000 ] - [ -0.0020801500000000, 0.0000000000000000, -0.0020667100000000 ] - [ -0.0004453700000000, 0.0000683000000000, -0.0004239400000000 ] - [ -0.0004453700000000, -0.0000683000000000, -0.0004239400000000 ] - [ -0.0019631300000000, -0.0000368800000000, 0.0008647400000000 ] - [ -0.0012677900000000, 0.0000000000000000, 0.0004572900000000 ] - [ -0.0019631300000000, 0.0000368800000000, 0.0008647400000000 ] - [ 0.0036968100000000, 0.0000000000000000, 0.0073476700000000 ] - [ 0.0002124700000000, -0.0000711600000000, 0.0010073400000000 ] - [ 0.0002124700000000, 0.0000711600000000, 0.0010073400000000 ] - [ 0.0005148400000000, 0.0002918600000000, -0.0009361600000000 ] - [ 0.0006033000000000, 0.0000000000000000, -0.0009177300000000 ] - [ 0.0005148400000000, -0.0002918600000000, -0.0009361600000000 ] - [ -0.0005163600000000, 0.0000000000000000, 0.0006271700000000 ] - [ -0.0000237200000000, -0.0000754600000000, 0.0006109900000000 ] - [ -0.0000237200000000, 0.0000754600000000, 0.0006109900000000 ] - [ -0.0004910100000000, 0.0006099900000000, -0.0002704400000000 ] - [ -0.0001416100000000, 0.0000000000000000, -0.0000970400000000 ] - [ -0.0004910100000000, -0.0006099900000000, -0.0002704400000000 ] - [ -0.0019769600000000, 0.0000000000000000, -0.0004711600000000 ] - [ -0.0012846900000000, 0.0000032200000000, -0.0002004500000000 ] - [ -0.0012846900000000, -0.0000032200000000, -0.0002004500000000 ] - [ 0.0008035900000000, 0.0003676300000000, -0.0003167400000000 ] - [ 0.0011651300000000, 0.0000000000000000, -0.0002523100000000 ] - [ 0.0008035900000000, -0.0003676300000000, -0.0003167400000000 ] - [ -0.0016483400000000, 0.0000000000000000, -0.0000238400000000 ] - [ -0.0013613300000000, 0.0000573500000000, 0.0003363600000000 ] - [ -0.0013613300000000, -0.0000573500000000, 0.0003363600000000 ]- atom: 64 displacement: [ 0.0099999983408567, 0.0000000000000000, 0.0000057604567923 ] forces: - [ 0.0062126500000000, -0.0010216600000000, 0.0035141900000000 ] - [ 0.0062126500000000, 0.0010216600000000, 0.0035141900000000 ] - [ 0.0017567200000000, 0.0000000000000000, 0.0007394600000000 ] - [ 0.0357335000000000, 0.0000000000000000, 0.0525985600000000 ] - [ 0.0032467400000000, 0.0031447600000000, 0.0019041000000000 ] - [ 0.0032467400000000, -0.0031447600000000, 0.0019041000000000 ] - [ 0.0016996700000000, -0.0026911300000000, -0.0037698700000000 ] - [ 0.0016996700000000, 0.0026911300000000, -0.0037698700000000 ] - [ 0.0011714000000000, 0.0000000000000000, -0.0008371500000000 ] - [ 0.0088714300000000, 0.0000000000000000, -0.0051884300000000 ] - [ 0.0010331500000000, -0.0001176100000000, -0.0011904800000000 ] - [ 0.0010331500000000, 0.0001176100000000, -0.0011904800000000 ] - [ -0.0050909600000000, -0.0068602400000000, 0.0010342900000000 ] - [ -0.0050909600000000, 0.0068602400000000, 0.0010342900000000 ] - [ -0.0020526700000000, 0.0000000000000000, 0.0005637700000000 ] - [ 0.0153456600000000, 0.0000000000000000, -0.0025657200000000 ] - [ 0.0007095200000000, -0.0036536900000000, 0.0012442600000000 ] - [ 0.0007095200000000, 0.0036536900000000, 0.0012442600000000 ] - [ -0.0026847800000000, 0.0000000000000000, -0.0001367500000000 ] - [ -0.0005269300000000, -0.0003243300000000, -0.0001205300000000 ] - [ -0.0005269300000000, 0.0003243300000000, -0.0001205300000000 ] - [ -0.0015123400000000, 0.0004528800000000, -0.0004465500000000 ] - [ -0.0015123400000000, -0.0004528800000000, -0.0004465500000000 ] - [ -0.0009311000000000, 0.0000000000000000, -0.0003396600000000 ] - [ -0.0008672600000000, 0.0000000000000000, -0.0015587900000000 ] - [ 0.0007961600000000, -0.0004775700000000, -0.0000228800000000 ] - [ 0.0007961600000000, 0.0004775700000000, -0.0000228800000000 ] - [ -0.0017839400000000, 0.0003741600000000, -0.0004211000000000 ] - [ -0.0017839400000000, -0.0003741600000000, -0.0004211000000000 ] - [ -0.0013243100000000, 0.0000000000000000, -0.0003348900000000 ] - [ -0.0051828800000000, 0.0000000000000000, 0.0002071800000000 ] - [ -0.0016014700000000, -0.0007546900000000, -0.0001367800000000 ] - [ -0.0016014700000000, 0.0007546900000000, -0.0001367800000000 ] - [ -0.0020409700000000, 0.0002300600000000, 0.0003973600000000 ] - [ -0.0020409700000000, -0.0002300600000000, 0.0003973600000000 ] - [ -0.0013807900000000, 0.0000000000000000, 0.0004638600000000 ] - [ 0.0012000300000000, 0.0000000000000000, 0.0035843800000000 ] - [ 0.0009375000000000, -0.0001659400000000, 0.0008884100000000 ] - [ 0.0009375000000000, 0.0001659400000000, 0.0008884100000000 ] - [ -0.0008384300000000, 0.0000171200000000, -0.0004396600000000 ] - [ -0.0008384300000000, -0.0000171200000000, -0.0004396600000000 ] - [ -0.0004458000000000, 0.0000000000000000, -0.0001649500000000 ] - [ -0.0003034500000000, -0.0000321400000000, 0.0007722200000000 ] - [ -0.0003034500000000, 0.0000321400000000, 0.0007722200000000 ] - [ -0.0001241600000000, 0.0000000000000000, 0.0002537400000000 ] - [ -0.0006818700000000, -0.0000258100000000, -0.0005037900000000 ] - [ -0.0006818700000000, 0.0000258100000000, -0.0005037900000000 ] - [ -0.0004265200000000, 0.0000000000000000, -0.0003822300000000 ] - [ -0.0007207300000000, -0.0000443600000000, -0.0005626100000000 ] - [ -0.0007207300000000, 0.0000443600000000, -0.0005626100000000 ] - [ -0.0002356300000000, 0.0000000000000000, -0.0001231400000000 ] - [ -0.0012530200000000, 0.0000000000000000, -0.0006366300000000 ] - [ 0.0002521900000000, -0.0000632700000000, 0.0003082200000000 ] - [ 0.0002521900000000, 0.0000632700000000, 0.0003082200000000 ] - [ -0.0038707500000000, 0.0000000000000000, 0.0055661300000000 ] - [ 0.0000388600000000, -0.0002581200000000, -0.0001798900000000 ] - [ 0.0000388600000000, 0.0002581200000000, -0.0001798900000000 ] - [ -0.0058089700000000, 0.0000000000000000, -0.0022266800000000 ] - [ -0.0001453500000000, -0.0001357000000000, -0.0002543400000000 ] - [ -0.0001453500000000, 0.0001357000000000, -0.0002543400000000 ] - [ -0.0003269600000000, 0.0013422100000000, -0.0038056800000000 ] - [ -0.0003269600000000, -0.0013422100000000, -0.0038056800000000 ] - [ -0.0006921400000000, 0.0000000000000000, -0.0013357200000000 ] - [ -0.0621601800000000, 0.0000000000000000, -0.0841161600000000 ] - [ -0.0013152500000000, 0.0003876500000000, -0.0034598900000000 ] - [ -0.0013152500000000, -0.0003876500000000, -0.0034598900000000 ] - [ -0.0006571700000000, 0.0002159600000000, 0.0018962800000000 ] - [ -0.0006571700000000, -0.0002159600000000, 0.0018962800000000 ] - [ -0.0000786900000000, 0.0000000000000000, 0.0006195400000000 ] - [ -0.0085070100000000, 0.0000000000000000, -0.0036684400000000 ] - [ -0.0010571300000000, -0.0000418000000000, 0.0002805700000000 ] - [ -0.0010571300000000, 0.0000418000000000, 0.0002805700000000 ] - [ 0.0007102800000000, 0.0005781600000000, 0.0016183200000000 ] - [ 0.0007102800000000, -0.0005781600000000, 0.0016183200000000 ] - [ 0.0004362200000000, 0.0000000000000000, 0.0006775300000000 ] - [ -0.0034774600000000, 0.0000000000000000, 0.0129199700000000 ] - [ -0.0011838000000000, 0.0003222800000000, 0.0006131000000000 ] - [ -0.0011838000000000, -0.0003222800000000, 0.0006131000000000 ] - [ 0.0013721900000000, 0.0002567700000000, -0.0001127800000000 ] - [ 0.0013721900000000, -0.0002567700000000, -0.0001127800000000 ] - [ 0.0002596100000000, 0.0000000000000000, 0.0000383100000000 ] - [ 0.0182382300000000, 0.0000000000000000, 0.0074009400000000 ] - [ -0.0004266300000000, 0.0004715000000000, 0.0000955200000000 ] - [ -0.0004266300000000, -0.0004715000000000, 0.0000955200000000 ] - [ -0.0059270900000000, -0.0069948800000000, 0.0006835600000000 ] - [ -0.0059270900000000, 0.0069948800000000, 0.0006835600000000 ] - [ -0.0001861200000000, 0.0000000000000000, -0.0009759800000000 ] - [ 0.0119520800000000, 0.0000000000000000, 0.0048114300000000 ] - [ 0.0001987300000000, -0.0024449500000000, 0.0005440900000000 ] - [ 0.0001987300000000, 0.0024449500000000, 0.0005440900000000 ] - [ -0.0012947500000000, -0.0003428000000000, 0.0006165200000000 ] - [ -0.0012947500000000, 0.0003428000000000, 0.0006165200000000 ] - [ -0.0001832100000000, 0.0000000000000000, 0.0001954500000000 ] - [ -0.0002129400000000, 0.0000000000000000, 0.0066013500000000 ] - [ -0.0015020800000000, -0.0011575100000000, 0.0003559000000000 ] - [ -0.0015020800000000, 0.0011575100000000, 0.0003559000000000 ] - [ 0.0025508800000000, 0.0082877600000000, 0.0027157500000000 ] - [ 0.0025508800000000, -0.0082877600000000, 0.0027157500000000 ] - [ 0.0015863900000000, 0.0000000000000000, 0.0000468400000000 ] - [ -0.0030716600000000, 0.0000000000000000, -0.0033979700000000 ] - [ -0.0020904200000000, 0.0002192100000000, 0.0006085700000000 ] - [ -0.0020904200000000, -0.0002192100000000, 0.0006085700000000 ] - [ 0.0006308000000000, 0.0000000000000000, 0.0007526300000000 ] - [ -0.0000646000000000, 0.0001154800000000, 0.0004063800000000 ] - [ -0.0000646000000000, -0.0001154800000000, 0.0004063800000000 ] - [ 0.0004857100000000, -0.0000619700000000, 0.0000692100000000 ] - [ 0.0004857100000000, 0.0000619700000000, 0.0000692100000000 ] - [ 0.0002949300000000, 0.0000000000000000, -0.0001605700000000 ] - [ 0.0038291600000000, 0.0000000000000000, 0.0025009400000000 ] - [ 0.0002883900000000, 0.0001281100000000, 0.0000201000000000 ] - [ 0.0002883900000000, -0.0001281100000000, 0.0000201000000000 ] - [ 0.0012026700000000, -0.0000472500000000, 0.0003056800000000 ] - [ 0.0012026700000000, 0.0000472500000000, 0.0003056800000000 ] - [ 0.0007521600000000, 0.0000000000000000, 0.0001129200000000 ] - [ 0.0015561100000000, 0.0000000000000000, 0.0007125700000000 ] - [ 0.0000021800000000, 0.0001192500000000, 0.0000942500000000 ] - [ 0.0000021800000000, -0.0001192500000000, 0.0000942500000000 ] - [ 0.0008508800000000, -0.0000293600000000, 0.0001319100000000 ] - [ 0.0008508800000000, 0.0000293600000000, 0.0001319100000000 ] - [ 0.0004436100000000, 0.0000000000000000, 0.0000108000000000 ] - [ 0.0020521100000000, 0.0000000000000000, -0.0043324000000000 ] - [ -0.0008852700000000, 0.0002875900000000, -0.0001892800000000 ] - [ -0.0008852700000000, -0.0002875900000000, -0.0001892800000000 ] - [ 0.0014585900000000, 0.0000221300000000, -0.0004438900000000 ] - [ 0.0014585900000000, -0.0000221300000000, -0.0004438900000000 ] - [ 0.0008907400000000, 0.0000000000000000, -0.0002242700000000 ] - [ 0.0019415700000000, 0.0000000000000000, -0.0009551000000000 ] - [ 0.0013959300000000, 0.0000448900000000, -0.0009292800000000 ] - [ 0.0013959300000000, -0.0000448900000000, -0.0009292800000000 ] - [ 0.0011908300000000, -0.0010608000000000, 0.0005516100000000 ] - [ 0.0011908300000000, 0.0010608000000000, 0.0005516100000000 ] - [ 0.0008399300000000, 0.0000000000000000, 0.0005752300000000 ] - [ 0.0013615400000000, 0.0000000000000000, 0.0003455400000000 ] - [ 0.0006019300000000, 0.0001244600000000, 0.0001093500000000 ] - [ 0.0006019300000000, -0.0001244600000000, 0.0001093500000000 ] - [ -0.0002952300000000, -0.0007440100000000, 0.0000954500000000 ] - [ -0.0002952300000000, 0.0007440100000000, 0.0000954500000000 ] - [ -0.0005114200000000, 0.0000000000000000, 0.0000146200000000 ] - [ 0.0025679900000000, 0.0000000000000000, 0.0000381300000000 ] - [ 0.0018556700000000, 0.0001973100000000, -0.0001374800000000 ] - [ 0.0018556700000000, -0.0001973100000000, -0.0001374800000000 ] - [ -0.0004792600000000, -0.0004627900000000, 0.0006165600000000 ] - [ -0.0004792600000000, 0.0004627900000000, 0.0006165600000000 ] - [ -0.0007208600000000, 0.0000000000000000, 0.0005798200000000 ]- atom: 64 displacement: [ -0.0099999983408567, 0.0000000000000000, -0.0000057604567923 ] forces: - [ -0.0058376100000000, 0.0010293000000000, -0.0033380700000000 ] - [ -0.0058376100000000, -0.0010293000000000, -0.0033380700000000 ] - [ -0.0013912000000000, 0.0000000000000000, -0.0005538600000000 ] - [ -0.0355151000000000, 0.0000000000000000, -0.0530579700000000 ] - [ -0.0035602300000000, -0.0031264900000000, -0.0021547100000000 ] - [ -0.0035602300000000, 0.0031264900000000, -0.0021547100000000 ] - [ 0.0003559200000000, 0.0026411400000000, 0.0038342000000000 ] - [ 0.0003559200000000, -0.0026411400000000, 0.0038342000000000 ] - [ 0.0008960900000000, 0.0000000000000000, 0.0009151100000000 ] - [ -0.0101637000000000, 0.0000000000000000, 0.0047354400000000 ] - [ -0.0023075000000000, 0.0001217600000000, 0.0007335600000000 ] - [ -0.0023075000000000, -0.0001217600000000, 0.0007335600000000 ] - [ 0.0022208500000000, 0.0068829400000000, -0.0012857300000000 ] - [ 0.0022208500000000, -0.0068829400000000, -0.0012857300000000 ] - [ -0.0007968400000000, 0.0000000000000000, -0.0008234300000000 ] - [ -0.0163577700000000, 0.0000000000000000, 0.0034127700000000 ] - [ -0.0014032800000000, 0.0036565700000000, -0.0000860100000000 ] - [ -0.0014032800000000, -0.0036565700000000, -0.0000860100000000 ] - [ 0.0030221700000000, 0.0000000000000000, 0.0003226900000000 ] - [ 0.0008941600000000, 0.0003196300000000, 0.0003122100000000 ] - [ 0.0008941600000000, -0.0003196300000000, 0.0003122100000000 ] - [ 0.0011895400000000, -0.0004464600000000, 0.0001965300000000 ] - [ 0.0011895400000000, 0.0004464600000000, 0.0001965300000000 ] - [ 0.0006101300000000, 0.0000000000000000, 0.0000888700000000 ] - [ 0.0029361400000000, 0.0000000000000000, 0.0016206800000000 ] - [ 0.0012794700000000, 0.0004720400000000, 0.0001027400000000 ] - [ 0.0012794700000000, -0.0004720400000000, 0.0001027400000000 ] - [ 0.0004983100000000, -0.0003686100000000, -0.0000326100000000 ] - [ 0.0004983100000000, 0.0003686100000000, -0.0000326100000000 ] - [ 0.0000415800000000, 0.0000000000000000, -0.0001186000000000 ] - [ 0.0023049100000000, 0.0000000000000000, -0.0004521900000000 ] - [ -0.0012343800000000, 0.0007470400000000, -0.0001193800000000 ] - [ -0.0012343800000000, -0.0007470400000000, -0.0001193800000000 ] - [ 0.0013203700000000, -0.0002261400000000, 0.0007526400000000 ] - [ 0.0013203700000000, 0.0002261400000000, 0.0007526400000000 ] - [ 0.0006626600000000, 0.0000000000000000, 0.0006885900000000 ] - [ -0.0005355900000000, 0.0000000000000000, -0.0029006900000000 ] - [ -0.0002862900000000, 0.0001652300000000, -0.0002273600000000 ] - [ -0.0002862900000000, -0.0001652300000000, -0.0002273600000000 ] - [ 0.0008536100000000, -0.0000170200000000, 0.0007708000000000 ] - [ 0.0008536100000000, 0.0000170200000000, 0.0007708000000000 ] - [ 0.0004636800000000, 0.0000000000000000, 0.0004984600000000 ] - [ 0.0004252700000000, 0.0000326400000000, -0.0012201100000000 ] - [ 0.0004252700000000, -0.0000326400000000, -0.0012201100000000 ] - [ 0.0002458600000000, 0.0000000000000000, -0.0007012000000000 ] - [ 0.0004511900000000, 0.0000258200000000, 0.0001443300000000 ] - [ 0.0004511900000000, -0.0000258200000000, 0.0001443300000000 ] - [ 0.0001991700000000, 0.0000000000000000, 0.0000255000000000 ] - [ 0.0013632100000000, 0.0000442600000000, 0.0012165300000000 ] - [ 0.0013632100000000, -0.0000442600000000, 0.0012165300000000 ] - [ 0.0008780900000000, 0.0000000000000000, 0.0007771200000000 ] - [ 0.0012933400000000, 0.0000000000000000, 0.0009807800000000 ] - [ -0.0002275000000000, 0.0000631100000000, 0.0000300100000000 ] - [ -0.0002275000000000, -0.0000631100000000, 0.0000300100000000 ] - [ 0.0039700500000000, 0.0000000000000000, -0.0059611000000000 ] - [ 0.0000849000000000, 0.0002563700000000, -0.0002715800000000 ] - [ 0.0000849000000000, -0.0002563700000000, -0.0002715800000000 ] - [ 0.0055216800000000, 0.0000000000000000, 0.0018714100000000 ] - [ -0.0000757300000000, 0.0001344100000000, -0.0000982900000000 ] - [ -0.0000757300000000, -0.0001344100000000, -0.0000982900000000 ] - [ -0.0001985800000000, -0.0013528600000000, 0.0039836200000000 ] - [ -0.0001985800000000, 0.0013528600000000, 0.0039836200000000 ] - [ 0.0001872300000000, 0.0000000000000000, 0.0015349000000000 ] - [ 0.0616547300000000, 0.0000000000000000, 0.0834741600000000 ] - [ 0.0013169300000000, -0.0003927400000000, 0.0023469900000000 ] - [ 0.0013169300000000, 0.0003927400000000, 0.0023469900000000 ] - [ 0.0007933500000000, -0.0002117700000000, -0.0018966000000000 ] - [ 0.0007933500000000, 0.0002117700000000, -0.0018966000000000 ] - [ 0.0002218400000000, 0.0000000000000000, -0.0006422400000000 ] - [ 0.0088854600000000, 0.0000000000000000, 0.0034359800000000 ] - [ 0.0014094300000000, 0.0000412700000000, -0.0004561900000000 ] - [ 0.0014094300000000, -0.0000412700000000, -0.0004561900000000 ] - [ -0.0004759600000000, -0.0005796200000000, -0.0011726200000000 ] - [ -0.0004759600000000, 0.0005796200000000, -0.0011726200000000 ] - [ -0.0002133600000000, 0.0000000000000000, -0.0002273200000000 ] - [ 0.0032231500000000, 0.0000000000000000, -0.0132374600000000 ] - [ 0.0008976800000000, -0.0003234700000000, -0.0008523100000000 ] - [ 0.0008976800000000, 0.0003234700000000, -0.0008523100000000 ] - [ -0.0025914100000000, -0.0002575200000000, 0.0004010500000000 ] - [ -0.0025914100000000, 0.0002575200000000, 0.0004010500000000 ] - [ -0.0014806200000000, 0.0000000000000000, 0.0002493800000000 ] - [ -0.0177134000000000, 0.0000000000000000, -0.0072674500000000 ] - [ 0.0005833000000000, -0.0004683500000000, -0.0001526000000000 ] - [ 0.0005833000000000, 0.0004683500000000, -0.0001526000000000 ] - [ 0.0078325200000000, 0.0070210000000000, -0.0025794200000000 ] - [ 0.0078325200000000, -0.0070210000000000, -0.0025794200000000 ] - [ 0.0020950900000000, 0.0000000000000000, -0.0008745900000000 ] - [ -0.0109818400000000, 0.0000000000000000, -0.0037084000000000 ] - [ 0.0009060300000000, 0.0024449500000000, 0.0006782900000000 ] - [ 0.0009060300000000, -0.0024449500000000, 0.0006782900000000 ] - [ 0.0019408300000000, 0.0003498100000000, -0.0005154000000000 ] - [ 0.0019408300000000, -0.0003498100000000, -0.0005154000000000 ] - [ 0.0008328600000000, 0.0000000000000000, -0.0000935900000000 ] - [ -0.0013333600000000, 0.0000000000000000, -0.0066264200000000 ] - [ -0.0000692000000000, 0.0011462300000000, -0.0004735500000000 ] - [ -0.0000692000000000, -0.0011462300000000, -0.0004735500000000 ] - [ 0.0007427900000000, -0.0082481500000000, -0.0030392000000000 ] - [ 0.0007427900000000, 0.0082481500000000, -0.0030392000000000 ] - [ 0.0016880900000000, 0.0000000000000000, -0.0003671100000000 ] - [ 0.0009746100000000, 0.0000000000000000, 0.0044539600000000 ] - [ 0.0000040400000000, -0.0002146100000000, 0.0003894100000000 ] - [ 0.0000040400000000, 0.0002146100000000, 0.0003894100000000 ] - [ -0.0011301300000000, 0.0000000000000000, -0.0005566900000000 ] - [ -0.0004473700000000, -0.0001140200000000, -0.0002299600000000 ] - [ -0.0004473700000000, 0.0001140200000000, -0.0002299600000000 ] - [ -0.0004773800000000, 0.0000608200000000, -0.0011669800000000 ] - [ -0.0004773800000000, -0.0000608200000000, -0.0011669800000000 ] - [ -0.0002847600000000, 0.0000000000000000, -0.0009314700000000 ] - [ -0.0036449300000000, 0.0000000000000000, -0.0025002500000000 ] - [ -0.0001541600000000, -0.0001268700000000, -0.0000416500000000 ] - [ -0.0001541600000000, 0.0001268700000000, -0.0000416500000000 ] - [ -0.0008396600000000, 0.0000460600000000, -0.0004813200000000 ] - [ -0.0008396600000000, -0.0000460600000000, -0.0004813200000000 ] - [ -0.0003848700000000, 0.0000000000000000, -0.0002899600000000 ] - [ -0.0013518500000000, 0.0000000000000000, -0.0002687800000000 ] - [ 0.0002131000000000, -0.0001183300000000, 0.0003545900000000 ] - [ 0.0002131000000000, 0.0001183300000000, 0.0003545900000000 ] - [ -0.0011265000000000, 0.0000280100000000, -0.0003683100000000 ] - [ -0.0011265000000000, -0.0000280100000000, -0.0003683100000000 ] - [ -0.0007202300000000, 0.0000000000000000, -0.0002481700000000 ] - [ -0.0032129000000000, 0.0000000000000000, 0.0045746100000000 ] - [ -0.0003455800000000, -0.0002853600000000, 0.0004750000000000 ] - [ -0.0003455800000000, 0.0002853600000000, 0.0004750000000000 ] - [ -0.0012827600000000, -0.0000230400000000, 0.0003869600000000 ] - [ -0.0012827600000000, 0.0000230400000000, 0.0003869600000000 ] - [ -0.0007194700000000, 0.0000000000000000, 0.0001663300000000 ] - [ -0.0000215500000000, 0.0000000000000000, -0.0008947800000000 ] - [ 0.0005205500000000, -0.0000412300000000, -0.0009206700000000 ] - [ 0.0005205500000000, 0.0000412300000000, -0.0009206700000000 ] - [ -0.0000915100000000, 0.0010477700000000, 0.0006733300000000 ] - [ -0.0000915100000000, -0.0010477700000000, 0.0006733300000000 ] - [ 0.0002553200000000, 0.0000000000000000, 0.0006498400000000 ] - [ -0.0007050100000000, 0.0000000000000000, -0.0002463600000000 ] - [ 0.0000478700000000, -0.0001222000000000, -0.0000127800000000 ] - [ 0.0000478700000000, 0.0001222000000000, -0.0000127800000000 ] - [ -0.0012724600000000, 0.0007348000000000, -0.0002116700000000 ] - [ -0.0012724600000000, -0.0007348000000000, -0.0002116700000000 ] - [ -0.0010564400000000, 0.0000000000000000, -0.0001314100000000 ] - [ 0.0007083700000000, 0.0000000000000000, -0.0003578300000000 ] - [ 0.0014129200000000, -0.0001971200000000, -0.0001848200000000 ] - [ 0.0014129200000000, 0.0001971200000000, -0.0001848200000000 ] - [ -0.0016014800000000, 0.0004603400000000, 0.0003797000000000 ] - [ -0.0016014800000000, -0.0004603400000000, 0.0003797000000000 ] - [ -0.0013606100000000, 0.0000000000000000, 0.0004174900000000 ]- atom: 64 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0034545900000000, 0.0009105100000000, 0.0019450800000000 ] - [ 0.0038637700000000, 0.0009395200000000, -0.0017599500000000 ] - [ 0.0001888200000000, -0.0019682000000000, 0.0000923300000000 ] - [ 0.0000564200000000, 0.0183359600000000, 0.0006053200000000 ] - [ 0.0007559200000000, -0.0032134300000000, 0.0015098200000000 ] - [ -0.0010595700000000, -0.0032154800000000, -0.0017478600000000 ] - [ 0.0009534100000000, 0.0008726800000000, -0.0012603300000000 ] - [ 0.0011074200000000, 0.0009337300000000, 0.0013422000000000 ] - [ 0.0010371100000000, -0.0014585700000000, 0.0000396800000000 ] - [ -0.0006656500000000, 0.0019120800000000, -0.0002191400000000 ] - [ 0.0001765300000000, -0.0008632400000000, -0.0001877700000000 ] - [ -0.0014410200000000, -0.0008776400000000, -0.0002721100000000 ] - [ -0.0039885200000000, 0.0008068000000000, -0.0012795900000000 ] - [ 0.0011519800000000, 0.0008408600000000, 0.0010346500000000 ] - [ -0.0014192700000000, -0.0019174300000000, -0.0001284300000000 ] - [ -0.0004768900000000, 0.0090406800000000, 0.0001636700000000 ] - [ -0.0012671300000000, -0.0065176700000000, -0.0002420800000000 ] - [ 0.0005468100000000, -0.0064733000000000, 0.0013965100000000 ] - [ 0.0001840900000000, 0.0002432500000000, 0.0000922900000000 ] - [ -0.0000464500000000, -0.0001201300000000, 0.0000353100000000 ] - [ 0.0004115600000000, -0.0001211800000000, 0.0001546700000000 ] - [ -0.0002510200000000, 0.0001120700000000, -0.0001537200000000 ] - [ -0.0000656600000000, 0.0001127500000000, -0.0000935800000000 ] - [ -0.0001590000000000, -0.0002248300000000, -0.0001245800000000 ] - [ 0.0010423800000000, 0.0002601400000000, 0.0000417700000000 ] - [ 0.0007542200000000, -0.0001297800000000, -0.0000740900000000 ] - [ 0.0013149300000000, -0.0001313900000000, 0.0001518100000000 ] - [ -0.0007853400000000, 0.0001060800000000, -0.0002718100000000 ] - [ -0.0004935100000000, 0.0001079400000000, -0.0001818300000000 ] - [ -0.0006388300000000, -0.0002147300000000, -0.0002264500000000 ] - [ -0.0014178700000000, 0.0004286800000000, -0.0001254800000000 ] - [ -0.0020925200000000, -0.0002084200000000, -0.0000996100000000 ] - [ -0.0007551900000000, -0.0002113700000000, -0.0001566200000000 ] - [ -0.0007546200000000, 0.0001306400000000, 0.0005840700000000 ] - [ 0.0000447300000000, 0.0001328900000000, 0.0005673000000000 ] - [ -0.0003543900000000, -0.0002623700000000, 0.0005761500000000 ] - [ 0.0003313000000000, 0.0010706000000000, 0.0003406300000000 ] - [ 0.0000704000000000, -0.0001750200000000, 0.0002434300000000 ] - [ 0.0005733800000000, -0.0001743000000000, 0.0004128600000000 ] - [ -0.0002224900000000, -0.0000076200000000, 0.0000253400000000 ] - [ 0.0002417600000000, -0.0000078200000000, 0.0003087500000000 ] - [ 0.0000110600000000, -0.0000141400000000, 0.0001682100000000 ] - [ -0.0000526400000000, 0.0000324700000000, 0.0000044700000000 ] - [ 0.0001755000000000, 0.0000328000000000, -0.0004548400000000 ] - [ 0.0000615000000000, -0.0000389400000000, -0.0002255400000000 ] - [ -0.0004413500000000, 0.0000284700000000, -0.0003645400000000 ] - [ 0.0002163600000000, 0.0000286700000000, 0.0000089400000000 ] - [ -0.0001113000000000, -0.0000464600000000, -0.0001767300000000 ] - [ 0.0000807300000000, 0.0000015300000000, 0.0001110000000000 ] - [ 0.0005656100000000, 0.0000014700000000, 0.0005459700000000 ] - [ 0.0003233200000000, -0.0000290500000000, 0.0003286500000000 ] - [ 0.0000236200000000, 0.0001913700000000, 0.0001747400000000 ] - [ -0.0002985800000000, -0.0000114300000000, -0.0000490900000000 ] - [ 0.0003148700000000, -0.0000125500000000, 0.0003812600000000 ] - [ 0.0000603600000000, 0.0010992900000000, -0.0002348200000000 ] - [ -0.0001601900000000, -0.0001749800000000, 0.0001132500000000 ] - [ 0.0002798700000000, -0.0001741700000000, -0.0005577400000000 ] - [ -0.0001049500000000, -0.0009948500000000, -0.0001747900000000 ] - [ -0.0005208300000000, -0.0000345400000000, -0.0004806200000000 ] - [ 0.0002916700000000, -0.0000348300000000, 0.0001220300000000 ] - [ 0.0012313700000000, 0.0004122800000000, 0.0009294800000000 ] - [ -0.0017607800000000, 0.0004186000000000, -0.0007697200000000 ] - [ -0.0002544900000000, 0.0003455900000000, 0.0000963700000000 ] - [ -0.0000280300000000, -0.0400628200000000, -0.0009932300000000 ] - [ -0.0003924300000000, 0.0012375000000000, -0.0014770700000000 ] - [ 0.0003863700000000, 0.0012373600000000, 0.0003479500000000 ] - [ 0.0007221300000000, -0.0001091700000000, 0.0000256600000000 ] - [ -0.0005920200000000, -0.0001160300000000, -0.0000363600000000 ] - [ 0.0000689800000000, 0.0002537600000000, -0.0000120800000000 ] - [ 0.0001661900000000, -0.0030196000000000, -0.0000899700000000 ] - [ 0.0004177700000000, 0.0003763300000000, -0.0005059100000000 ] - [ -0.0000599800000000, 0.0003771100000000, 0.0003288400000000 ] - [ 0.0006150800000000, -0.0001167000000000, 0.0005036200000000 ] - [ -0.0003928100000000, -0.0001210100000000, -0.0000552900000000 ] - [ 0.0001081500000000, 0.0002027400000000, 0.0002243800000000 ] - [ -0.0001284000000000, 0.0015943300000000, -0.0002021400000000 ] - [ -0.0003374700000000, 0.0007123100000000, 0.0010678100000000 ] - [ 0.0000513600000000, 0.0007081600000000, -0.0012864700000000 ] - [ 0.0000357100000000, -0.0000638300000000, 0.0001418600000000 ] - [ -0.0012625600000000, -0.0000647900000000, 0.0001452200000000 ] - [ -0.0006144400000000, 0.0001186900000000, 0.0001437500000000 ] - [ 0.0000590100000000, -0.0018959800000000, -0.0000224700000000 ] - [ 0.0008618000000000, 0.0003065300000000, -0.0000151600000000 ] - [ -0.0006859900000000, 0.0003056800000000, -0.0000435300000000 ] - [ 0.0023500500000000, 0.0106313000000000, -0.0128831900000000 ] - [ -0.0004674900000000, 0.0107987000000000, 0.0112649800000000 ] - [ 0.0009507700000000, 0.0032292400000000, -0.0009229600000000 ] - [ 0.0005771300000000, -0.0033491100000000, 0.0006138200000000 ] - [ 0.0000239100000000, 0.0011860100000000, 0.0005549100000000 ] - [ 0.0010682200000000, 0.0011957200000000, 0.0006674800000000 ] - [ 0.0003675900000000, -0.0006454400000000, -0.0003639900000000 ] - [ 0.0002789200000000, -0.0006751000000000, 0.0004692200000000 ] - [ 0.0003232100000000, 0.0013893700000000, 0.0000510100000000 ] - [ -0.0007645500000000, -0.0011872800000000, -0.0000131800000000 ] - [ -0.0010503700000000, 0.0009753200000000, -0.0004434200000000 ] - [ -0.0005237800000000, 0.0009873700000000, 0.0003208000000000 ] - [ 0.0052391700000000, 0.0012149800000000, 0.0066359900000000 ] - [ -0.0020164300000000, 0.0012176700000000, -0.0070460100000000 ] - [ 0.0016337600000000, 0.0018120500000000, -0.0001605100000000 ] - [ -0.0010300900000000, -0.0029063300000000, 0.0004977400000000 ] - [ -0.0015232100000000, 0.0013267300000000, 0.0005902400000000 ] - [ -0.0005708000000000, 0.0013241800000000, 0.0004075200000000 ] - [ -0.0002539100000000, -0.0000749600000000, 0.0000952100000000 ] - [ -0.0001367400000000, 0.0000333300000000, 0.0001827700000000 ] - [ -0.0003737500000000, 0.0000335000000000, -0.0000057300000000 ] - [ 0.0000637300000000, -0.0000248100000000, -0.0004986000000000 ] - [ -0.0000584900000000, -0.0000250300000000, -0.0006023200000000 ] - [ 0.0000037700000000, 0.0000488100000000, -0.0005479400000000 ] - [ 0.0000672300000000, -0.0000138400000000, -0.0000164100000000 ] - [ 0.0003669800000000, 0.0000336600000000, 0.0001905200000000 ] - [ -0.0002276000000000, 0.0000342800000000, -0.0002088500000000 ] - [ 0.0003532500000000, -0.0000236500000000, 0.0000349900000000 ] - [ 0.0000053100000000, -0.0000238000000000, -0.0002129300000000 ] - [ 0.0001815100000000, 0.0000487600000000, -0.0000893300000000 ] - [ 0.0000975500000000, -0.0001216300000000, 0.0002207200000000 ] - [ 0.0004499700000000, 0.0000359100000000, 0.0003419300000000 ] - [ -0.0002262900000000, 0.0000369200000000, 0.0001105500000000 ] - [ 0.0000635700000000, -0.0000256000000000, -0.0000418400000000 ] - [ -0.0003460600000000, -0.0000253100000000, -0.0001963100000000 ] - [ -0.0001408400000000, 0.0000514100000000, -0.0001197000000000 ] - [ -0.0006158500000000, -0.0005766300000000, 0.0001412700000000 ] - [ 0.0000086800000000, 0.0001891600000000, -0.0000560800000000 ] - [ -0.0012279200000000, 0.0001883600000000, 0.0003391400000000 ] - [ 0.0005576700000000, -0.0000360400000000, -0.0000617600000000 ] - [ -0.0003923200000000, -0.0000356400000000, 0.0000044600000000 ] - [ 0.0000811800000000, 0.0000636000000000, -0.0000287500000000 ] - [ 0.0009551700000000, -0.0002925700000000, -0.0009248100000000 ] - [ 0.0009931200000000, 0.0001460800000000, -0.0009261600000000 ] - [ 0.0009217900000000, 0.0001462900000000, -0.0009240400000000 ] - [ 0.0005122900000000, -0.0002178300000000, 0.0006145600000000 ] - [ 0.0005835300000000, -0.0002204100000000, 0.0006109100000000 ] - [ 0.0005474900000000, 0.0004302200000000, 0.0006127300000000 ] - [ 0.0003227200000000, -0.0001997100000000, 0.0000476800000000 ] - [ 0.0003969900000000, 0.0000970500000000, 0.0000687200000000 ] - [ 0.0002528600000000, 0.0000987800000000, 0.0000277000000000 ] - [ -0.0007616800000000, -0.0001340900000000, -0.0000483100000000 ] - [ -0.0008087400000000, -0.0001365800000000, -0.0000694300000000 ] - [ -0.0007844100000000, 0.0002724300000000, -0.0000587900000000 ] - [ 0.0016334000000000, -0.0001748500000000, -0.0001612600000000 ] - [ 0.0017368100000000, 0.0000861200000000, -0.0001505800000000 ] - [ 0.0015324300000000, 0.0000895800000000, -0.0001713400000000 ] - [ -0.0009878000000000, -0.0000983800000000, 0.0005136400000000 ] - [ -0.0010972400000000, -0.0001041800000000, 0.0004813500000000 ] - [ -0.0010418900000000, 0.0002048300000000, 0.0004979600000000 ]- atom: 64 displacement: [ -0.0020604768976038, 0.0000000000000000, 0.0097854195083523 ] forces: - [ 0.0183108700000000, 0.0054754100000000, 0.0003714400000000 ] - [ 0.0183108700000000, -0.0054754100000000, 0.0003714400000000 ] - [ 0.0044464800000000, 0.0000000000000000, 0.0012747400000000 ] - [ 0.0431516400000000, 0.0000000000000000, 0.1482801000000000 ] - [ 0.0052806500000000, 0.0094303900000000, 0.0055482100000000 ] - [ 0.0052806500000000, -0.0094303900000000, 0.0055482100000000 ] - [ 0.0005325600000000, -0.0081036500000000, -0.0109864700000000 ] - [ 0.0005325600000000, 0.0081036500000000, -0.0109864700000000 ] - [ 0.0013462600000000, 0.0000000000000000, -0.0024592300000000 ] - [ 0.0186930900000000, 0.0000000000000000, -0.0355174900000000 ] - [ 0.0034857300000000, 0.0005679500000000, -0.0048366000000000 ] - [ 0.0034857300000000, -0.0005679500000000, -0.0048366000000000 ] - [ -0.0087006800000000, -0.0099642400000000, 0.0086459500000000 ] - [ -0.0087006800000000, 0.0099642400000000, 0.0086459500000000 ] - [ -0.0022191500000000, 0.0000000000000000, 0.0020094600000000 ] - [ 0.0118455700000000, 0.0000000000000000, 0.0231485800000000 ] - [ -0.0015416100000000, -0.0134057700000000, 0.0040879300000000 ] - [ -0.0015416100000000, 0.0134057700000000, 0.0040879300000000 ] - [ -0.0034742000000000, 0.0000000000000000, 0.0007291600000000 ] - [ -0.0009895200000000, -0.0002794400000000, 0.0000412500000000 ] - [ -0.0009895200000000, 0.0002794400000000, 0.0000412500000000 ] - [ -0.0014866300000000, 0.0002853800000000, -0.0006154800000000 ] - [ -0.0014866300000000, -0.0002853800000000, -0.0006154800000000 ] - [ -0.0010194100000000, 0.0000000000000000, -0.0004201400000000 ] - [ -0.0013535100000000, 0.0000000000000000, -0.0025673800000000 ] - [ 0.0004136700000000, -0.0004865000000000, -0.0003916600000000 ] - [ 0.0004136700000000, 0.0004865000000000, -0.0003916600000000 ] - [ -0.0022137900000000, 0.0003513400000000, -0.0005353700000000 ] - [ -0.0022137900000000, -0.0003513400000000, -0.0005353700000000 ] - [ -0.0015253600000000, 0.0000000000000000, -0.0003974100000000 ] - [ -0.0013401800000000, 0.0000000000000000, -0.0003843500000000 ] - [ -0.0015692800000000, -0.0002661800000000, -0.0001972500000000 ] - [ -0.0015692800000000, 0.0002661800000000, -0.0001972500000000 ] - [ -0.0022083700000000, 0.0001479700000000, 0.0003483600000000 ] - [ -0.0022083700000000, -0.0001479700000000, 0.0003483600000000 ] - [ -0.0014353100000000, 0.0000000000000000, 0.0004535600000000 ] - [ 0.0094644200000000, 0.0000000000000000, 0.0068272900000000 ] - [ 0.0011061500000000, 0.0001512000000000, 0.0009476500000000 ] - [ 0.0011061500000000, -0.0001512000000000, 0.0009476500000000 ] - [ -0.0011933800000000, 0.0000199200000000, -0.0008307900000000 ] - [ -0.0011933800000000, -0.0000199200000000, -0.0008307900000000 ] - [ -0.0005177900000000, 0.0000000000000000, -0.0002523300000000 ] - [ -0.0002733400000000, -0.0000495300000000, 0.0011055700000000 ] - [ -0.0002733400000000, 0.0000495300000000, 0.0011055700000000 ] - [ -0.0001332400000000, 0.0000000000000000, 0.0003959600000000 ] - [ -0.0006753800000000, -0.0000288600000000, -0.0005684300000000 ] - [ -0.0006753800000000, 0.0000288600000000, -0.0005684300000000 ] - [ -0.0003462900000000, 0.0000000000000000, -0.0003389100000000 ] - [ -0.0009098600000000, -0.0000672200000000, -0.0008101500000000 ] - [ -0.0009098600000000, 0.0000672200000000, -0.0008101500000000 ] - [ -0.0003220200000000, 0.0000000000000000, -0.0002052300000000 ] - [ -0.0025350300000000, 0.0000000000000000, -0.0020955800000000 ] - [ -0.0001333700000000, -0.0000280200000000, -0.0000951800000000 ] - [ -0.0001333700000000, 0.0000280200000000, -0.0000951800000000 ] - [ -0.0033012200000000, 0.0000000000000000, 0.0123933700000000 ] - [ -0.0002222400000000, -0.0001002900000000, 0.0009623000000000 ] - [ -0.0002222400000000, 0.0001002900000000, 0.0009623000000000 ] - [ -0.0077856400000000, 0.0000000000000000, -0.0048644000000000 ] - [ -0.0007378700000000, -0.0002085400000000, -0.0007686500000000 ] - [ -0.0007378700000000, 0.0002085400000000, -0.0007686500000000 ] - [ -0.0040703600000000, 0.0000818000000000, -0.0098622300000000 ] - [ -0.0040703600000000, -0.0000818000000000, -0.0098622300000000 ] - [ -0.0014100000000000, 0.0000000000000000, -0.0034011200000000 ] - [ -0.0677691400000000, 0.0000000000000000, -0.2777536600000000 ] - [ -0.0025683400000000, 0.0008042000000000, -0.0096923800000000 ] - [ -0.0025683400000000, -0.0008042000000000, -0.0096923800000000 ] - [ -0.0031604400000000, 0.0003574200000000, 0.0068652700000000 ] - [ -0.0031604400000000, -0.0003574200000000, 0.0068652700000000 ] - [ -0.0008406700000000, 0.0000000000000000, 0.0018061400000000 ] - [ -0.0262068500000000, 0.0000000000000000, 0.0363918600000000 ] - [ -0.0017607300000000, -0.0007905400000000, 0.0019665800000000 ] - [ -0.0017607300000000, 0.0007905400000000, 0.0019665800000000 ] - [ 0.0016386600000000, 0.0009406000000000, 0.0020082900000000 ] - [ 0.0016386600000000, -0.0009406000000000, 0.0020082900000000 ] - [ 0.0004596000000000, 0.0000000000000000, 0.0008186800000000 ] - [ -0.0141547200000000, 0.0000000000000000, 0.0377477600000000 ] - [ -0.0023456700000000, 0.0013177000000000, 0.0033739300000000 ] - [ -0.0023456700000000, -0.0013177000000000, 0.0033739300000000 ] - [ 0.0021045100000000, 0.0005466700000000, -0.0003244100000000 ] - [ 0.0021045100000000, -0.0005466700000000, -0.0003244100000000 ] - [ 0.0004372700000000, 0.0000000000000000, -0.0000500900000000 ] - [ 0.0238099700000000, 0.0000000000000000, -0.0042983700000000 ] - [ 0.0011444200000000, 0.0006723600000000, -0.0005402600000000 ] - [ 0.0011444200000000, -0.0006723600000000, -0.0005402600000000 ] - [ -0.0071354300000000, -0.0324107900000000, 0.0116433000000000 ] - [ -0.0071354300000000, 0.0324107900000000, 0.0116433000000000 ] - [ -0.0018143200000000, 0.0000000000000000, -0.0010022000000000 ] - [ 0.0186428500000000, 0.0000000000000000, -0.0039916500000000 ] - [ 0.0009246200000000, -0.0039297700000000, -0.0002969500000000 ] - [ 0.0009246200000000, 0.0039297700000000, -0.0002969500000000 ] - [ -0.0021904700000000, 0.0008826200000000, 0.0037670100000000 ] - [ -0.0021904700000000, -0.0008826200000000, 0.0037670100000000 ] - [ -0.0007601800000000, 0.0000000000000000, 0.0009292200000000 ] - [ 0.0019069100000000, 0.0000000000000000, 0.0216300800000000 ] - [ -0.0021458200000000, -0.0028069800000000, 0.0010851400000000 ] - [ -0.0021458200000000, 0.0028069800000000, 0.0010851400000000 ] - [ 0.0080747400000000, 0.0237707700000000, 0.0032306200000000 ] - [ 0.0080747400000000, -0.0237707700000000, 0.0032306200000000 ] - [ 0.0022544800000000, 0.0000000000000000, 0.0004451100000000 ] - [ -0.0113417700000000, 0.0000000000000000, 0.0131699600000000 ] - [ -0.0030937900000000, 0.0020924800000000, 0.0016785900000000 ] - [ -0.0030937900000000, -0.0020924800000000, 0.0016785900000000 ] - [ 0.0002766000000000, 0.0000000000000000, -0.0004419600000000 ] - [ -0.0000231100000000, 0.0000776300000000, 0.0002283700000000 ] - [ -0.0000231100000000, -0.0000776300000000, 0.0002283700000000 ] - [ 0.0005090500000000, -0.0000392200000000, 0.0000446700000000 ] - [ 0.0005090500000000, 0.0000392200000000, 0.0000446700000000 ] - [ 0.0003223200000000, 0.0000000000000000, -0.0001427800000000 ] - [ 0.0052884400000000, 0.0000000000000000, 0.0033995100000000 ] - [ 0.0008445100000000, 0.0001565200000000, 0.0003081900000000 ] - [ 0.0008445100000000, -0.0001565200000000, 0.0003081900000000 ] - [ 0.0013715500000000, -0.0000216700000000, 0.0005115600000000 ] - [ 0.0013715500000000, 0.0000216700000000, 0.0005115600000000 ] - [ 0.0008510300000000, 0.0000000000000000, 0.0001931800000000 ] - [ 0.0022130700000000, 0.0000000000000000, 0.0019130600000000 ] - [ 0.0003226700000000, 0.0000735900000000, 0.0004626200000000 ] - [ 0.0003226700000000, -0.0000735900000000, 0.0004626200000000 ] - [ 0.0012295100000000, -0.0000057900000000, 0.0003331600000000 ] - [ 0.0012295100000000, 0.0000057900000000, 0.0003331600000000 ] - [ 0.0005584200000000, 0.0000000000000000, 0.0000519600000000 ] - [ -0.0036374500000000, 0.0000000000000000, -0.0094173100000000 ] - [ -0.0008481100000000, -0.0000260000000000, -0.0008172900000000 ] - [ -0.0008481100000000, 0.0000260000000000, -0.0008172900000000 ] - [ 0.0015236600000000, 0.0000305200000000, -0.0005632700000000 ] - [ 0.0015236600000000, -0.0000305200000000, -0.0005632700000000 ] - [ 0.0008646400000000, 0.0000000000000000, -0.0003097500000000 ] - [ 0.0020739100000000, 0.0000000000000000, -0.0009720500000000 ] - [ 0.0015260200000000, -0.0000343200000000, -0.0009413600000000 ] - [ 0.0015260200000000, 0.0000343200000000, -0.0009413600000000 ] - [ 0.0008859800000000, -0.0003989200000000, 0.0006362200000000 ] - [ 0.0008859800000000, 0.0003989200000000, 0.0006362200000000 ] - [ 0.0008209900000000, 0.0000000000000000, 0.0006112100000000 ] - [ 0.0016433500000000, 0.0000000000000000, 0.0004092900000000 ] - [ 0.0007825900000000, 0.0000642500000000, 0.0001507500000000 ] - [ 0.0007825900000000, -0.0000642500000000, 0.0001507500000000 ] - [ -0.0001015500000000, -0.0007809100000000, 0.0002579100000000 ] - [ -0.0001015500000000, 0.0007809100000000, 0.0002579100000000 ] - [ -0.0003827100000000, 0.0000000000000000, 0.0001010400000000 ] - [ 0.0022415300000000, 0.0000000000000000, 0.0004264700000000 ] - [ 0.0019074900000000, 0.0000882500000000, -0.0000001600000000 ] - [ 0.0019074900000000, -0.0000882500000000, -0.0000001600000000 ] - [ -0.0003037600000000, -0.0004245500000000, 0.0006324800000000 ] - [ -0.0003037600000000, 0.0004245500000000, 0.0006324800000000 ] - [ -0.0006200800000000, 0.0000000000000000, 0.0005887000000000 ]- atom: 64 displacement: [ 0.0020604768976038, 0.0000000000000000, -0.0097854195083523 ] forces: - [ -0.0178283200000000, -0.0054702900000000, -0.0000506500000000 ] - [ -0.0178283200000000, 0.0054702900000000, -0.0000506500000000 ] - [ -0.0040477000000000, 0.0000000000000000, -0.0010712100000000 ] - [ -0.0477808400000000, 0.0000000000000000, -0.1587788500000000 ] - [ -0.0055807700000000, -0.0093615400000000, -0.0058174600000000 ] - [ -0.0055807700000000, 0.0093615400000000, -0.0058174600000000 ] - [ 0.0015691500000000, 0.0081128100000000, 0.0110053700000000 ] - [ 0.0015691500000000, -0.0081128100000000, 0.0110053700000000 ] - [ 0.0007340500000000, 0.0000000000000000, 0.0025247000000000 ] - [ -0.0198198800000000, 0.0000000000000000, 0.0349514300000000 ] - [ -0.0047465900000000, -0.0005807800000000, 0.0043463100000000 ] - [ -0.0047465900000000, 0.0005807800000000, 0.0043463100000000 ] - [ 0.0057947400000000, 0.0098764200000000, -0.0089180400000000 ] - [ 0.0057947400000000, -0.0098764200000000, -0.0089180400000000 ] - [ -0.0006287100000000, 0.0000000000000000, -0.0022580800000000 ] - [ -0.0111858000000000, 0.0000000000000000, -0.0178337100000000 ] - [ 0.0008144800000000, 0.0133167500000000, -0.0028758400000000 ] - [ 0.0008144800000000, -0.0133167500000000, -0.0028758400000000 ] - [ 0.0038056700000000, 0.0000000000000000, -0.0005384200000000 ] - [ 0.0013497300000000, 0.0002762700000000, 0.0001526600000000 ] - [ 0.0013497300000000, -0.0002762700000000, 0.0001526600000000 ] - [ 0.0011618500000000, -0.0002812700000000, 0.0003625900000000 ] - [ 0.0011618500000000, 0.0002812700000000, 0.0003625900000000 ] - [ 0.0006971100000000, 0.0000000000000000, 0.0001675200000000 ] - [ 0.0034014000000000, 0.0000000000000000, 0.0026349700000000 ] - [ 0.0016537500000000, 0.0004809600000000, 0.0004674000000000 ] - [ 0.0016537500000000, -0.0004809600000000, 0.0004674000000000 ] - [ 0.0009241200000000, -0.0003476800000000, 0.0000781900000000 ] - [ 0.0009241200000000, 0.0003476800000000, 0.0000781900000000 ] - [ 0.0002409600000000, 0.0000000000000000, -0.0000579400000000 ] - [ -0.0014845700000000, 0.0000000000000000, 0.0001168000000000 ] - [ -0.0012660100000000, 0.0002650300000000, -0.0000624700000000 ] - [ -0.0012660100000000, -0.0002650300000000, -0.0000624700000000 ] - [ 0.0014842800000000, -0.0001466000000000, 0.0008043100000000 ] - [ 0.0014842800000000, 0.0001466000000000, 0.0008043100000000 ] - [ 0.0007176800000000, 0.0000000000000000, 0.0007002500000000 ] - [ -0.0087650900000000, 0.0000000000000000, -0.0062187600000000 ] - [ -0.0004571700000000, -0.0001465500000000, -0.0002922100000000 ] - [ -0.0004571700000000, 0.0001465500000000, -0.0002922100000000 ] - [ 0.0012059000000000, -0.0000193100000000, 0.0011611800000000 ] - [ 0.0012059000000000, 0.0000193100000000, 0.0011611800000000 ] - [ 0.0005360400000000, 0.0000000000000000, 0.0005862600000000 ] - [ 0.0003911600000000, 0.0000494400000000, -0.0015437500000000 ] - [ 0.0003911600000000, -0.0000494400000000, -0.0015437500000000 ] - [ 0.0002540200000000, 0.0000000000000000, -0.0008413600000000 ] - [ 0.0004481100000000, 0.0000288800000000, 0.0002146700000000 ] - [ 0.0004481100000000, -0.0000288800000000, 0.0002146700000000 ] - [ 0.0001218500000000, 0.0000000000000000, -0.0000150400000000 ] - [ 0.0015447400000000, 0.0000666400000000, 0.0014570700000000 ] - [ 0.0015447400000000, -0.0000666400000000, 0.0014570700000000 ] - [ 0.0009627400000000, 0.0000000000000000, 0.0008576300000000 ] - [ 0.0025255200000000, 0.0000000000000000, 0.0024062400000000 ] - [ 0.0001509500000000, 0.0000270700000000, 0.0004272400000000 ] - [ 0.0001509500000000, -0.0000270700000000, 0.0004272400000000 ] - [ 0.0034427300000000, 0.0000000000000000, -0.0126742100000000 ] - [ 0.0003441200000000, 0.0001037600000000, -0.0013991200000000 ] - [ 0.0003441200000000, -0.0001037600000000, -0.0013991200000000 ] - [ 0.0074992300000000, 0.0000000000000000, 0.0044602700000000 ] - [ 0.0005094100000000, 0.0002060700000000, 0.0004099100000000 ] - [ 0.0005094100000000, -0.0002060700000000, 0.0004099100000000 ] - [ 0.0035649500000000, -0.0000511800000000, 0.0099475900000000 ] - [ 0.0035649500000000, 0.0000511800000000, 0.0099475900000000 ] - [ 0.0008938800000000, 0.0000000000000000, 0.0035692600000000 ] - [ 0.0705202600000000, 0.0000000000000000, 0.2823173200000000 ] - [ 0.0025619100000000, -0.0008214500000000, 0.0085306100000000 ] - [ 0.0025619100000000, 0.0008214500000000, 0.0085306100000000 ] - [ 0.0032768100000000, -0.0003604000000000, -0.0068641200000000 ] - [ 0.0032768100000000, 0.0003604000000000, -0.0068641200000000 ] - [ 0.0009746500000000, 0.0000000000000000, -0.0018242000000000 ] - [ 0.0266914700000000, 0.0000000000000000, -0.0366789000000000 ] - [ 0.0021079200000000, 0.0007828100000000, -0.0021155700000000 ] - [ 0.0021079200000000, -0.0007828100000000, -0.0021155700000000 ] - [ -0.0014197600000000, -0.0009335400000000, -0.0015297600000000 ] - [ -0.0014197600000000, 0.0009335400000000, -0.0015297600000000 ] - [ -0.0002431700000000, 0.0000000000000000, -0.0003613800000000 ] - [ 0.0137961900000000, 0.0000000000000000, -0.0375708400000000 ] - [ 0.0020535000000000, -0.0013089000000000, -0.0035911500000000 ] - [ 0.0020535000000000, 0.0013089000000000, -0.0035911500000000 ] - [ -0.0033102700000000, -0.0005458500000000, 0.0006092000000000 ] - [ -0.0033102700000000, 0.0005458500000000, 0.0006092000000000 ] - [ -0.0016573900000000, 0.0000000000000000, 0.0003370600000000 ] - [ -0.0233795300000000, 0.0000000000000000, 0.0039781700000000 ] - [ -0.0009646000000000, -0.0006709000000000, 0.0004717000000000 ] - [ -0.0009646000000000, 0.0006709000000000, 0.0004717000000000 ] - [ 0.0089450700000000, 0.0319481400000000, -0.0134326700000000 ] - [ 0.0089450700000000, -0.0319481400000000, -0.0134326700000000 ] - [ 0.0037004100000000, 0.0000000000000000, -0.0008483600000000 ] - [ -0.0174918800000000, 0.0000000000000000, 0.0053593200000000 ] - [ 0.0001679300000000, 0.0038967300000000, 0.0015239900000000 ] - [ 0.0001679300000000, -0.0038967300000000, 0.0015239900000000 ] - [ 0.0028143800000000, -0.0009159300000000, -0.0036589300000000 ] - [ 0.0028143800000000, 0.0009159300000000, -0.0036589300000000 ] - [ 0.0014013700000000, 0.0000000000000000, -0.0008248400000000 ] - [ -0.0035241000000000, 0.0000000000000000, -0.0218685200000000 ] - [ 0.0005688800000000, 0.0027990400000000, -0.0011920000000000 ] - [ 0.0005688800000000, -0.0027990400000000, -0.0011920000000000 ] - [ -0.0047742400000000, -0.0238008200000000, -0.0034404200000000 ] - [ -0.0047742400000000, 0.0238008200000000, -0.0034404200000000 ] - [ 0.0010130400000000, 0.0000000000000000, -0.0007605700000000 ] - [ 0.0091131500000000, 0.0000000000000000, -0.0120978200000000 ] - [ 0.0009894300000000, -0.0020705700000000, -0.0006789900000000 ] - [ 0.0009894300000000, 0.0020705700000000, -0.0006789900000000 ] - [ -0.0007794500000000, 0.0000000000000000, 0.0006275800000000 ] - [ -0.0004888100000000, -0.0000767700000000, -0.0000539700000000 ] - [ -0.0004888100000000, 0.0000767700000000, -0.0000539700000000 ] - [ -0.0005004400000000, 0.0000385600000000, -0.0011428800000000 ] - [ -0.0005004400000000, -0.0000385600000000, -0.0011428800000000 ] - [ -0.0003124400000000, 0.0000000000000000, -0.0009496600000000 ] - [ -0.0051096600000000, 0.0000000000000000, -0.0034091200000000 ] - [ -0.0007032700000000, -0.0001549700000000, -0.0003266000000000 ] - [ -0.0007032700000000, 0.0001549700000000, -0.0003266000000000 ] - [ -0.0010041700000000, 0.0000211600000000, -0.0006823100000000 ] - [ -0.0010041700000000, -0.0000211600000000, -0.0006823100000000 ] - [ -0.0004833400000000, 0.0000000000000000, -0.0003685400000000 ] - [ -0.0019688200000000, 0.0000000000000000, -0.0014421800000000 ] - [ -0.0001000000000000, -0.0000723600000000, -0.0000081400000000 ] - [ -0.0001000000000000, 0.0000723600000000, -0.0000081400000000 ] - [ -0.0015042600000000, 0.0000047700000000, -0.0005690500000000 ] - [ -0.0015042600000000, -0.0000047700000000, -0.0005690500000000 ] - [ -0.0008357000000000, 0.0000000000000000, -0.0002900400000000 ] - [ 0.0023971200000000, 0.0000000000000000, 0.0096224100000000 ] - [ -0.0003821100000000, 0.0000219200000000, 0.0010984700000000 ] - [ -0.0003821100000000, -0.0000219200000000, 0.0010984700000000 ] - [ -0.0013473100000000, -0.0000310100000000, 0.0004983900000000 ] - [ -0.0013473100000000, 0.0000310100000000, 0.0004983900000000 ] - [ -0.0006964000000000, 0.0000000000000000, 0.0002491000000000 ] - [ -0.0001531700000000, 0.0000000000000000, -0.0008781700000000 ] - [ 0.0003920800000000, 0.0000361900000000, -0.0009090000000000 ] - [ 0.0003920800000000, -0.0000361900000000, -0.0009090000000000 ] - [ 0.0002096000000000, 0.0003944400000000, 0.0005908200000000 ] - [ 0.0002096000000000, -0.0003944400000000, 0.0005908200000000 ] - [ 0.0002737900000000, 0.0000000000000000, 0.0006145400000000 ] - [ -0.0009850500000000, 0.0000000000000000, -0.0003109000000000 ] - [ -0.0001304600000000, -0.0000636600000000, -0.0000538700000000 ] - [ -0.0001304600000000, 0.0000636600000000, -0.0000538700000000 ] - [ -0.0014621800000000, 0.0007710900000000, -0.0003720500000000 ] - [ -0.0014621800000000, -0.0007710900000000, -0.0003720500000000 ] - [ -0.0011833900000000, 0.0000000000000000, -0.0002168300000000 ] - [ 0.0010321900000000, 0.0000000000000000, -0.0007410500000000 ] - [ 0.0013621600000000, -0.0000898400000000, -0.0003202500000000 ] - [ 0.0013621600000000, 0.0000898400000000, -0.0003202500000000 ] - [ -0.0017753000000000, 0.0004244200000000, 0.0003638200000000 ] - [ -0.0017753000000000, -0.0004244200000000, 0.0003638200000000 ] - [ -0.0014605500000000, 0.0000000000000000, 0.0004082800000000 ]- atom: 67 displacement: [ 0.0099999983408567, 0.0000000000000000, 0.0000057604567923 ] forces: - [ 0.0595789200000000, 0.0000000000000000, -0.0250888700000000 ] - [ 0.0045541700000000, -0.0050812400000000, 0.0012124000000000 ] - [ 0.0045541700000000, 0.0050812400000000, 0.0012124000000000 ] - [ 0.0025277900000000, 0.0002275000000000, 0.0031742600000000 ] - [ 0.0004556400000000, 0.0000000000000000, 0.0006739300000000 ] - [ 0.0025277900000000, -0.0002275000000000, 0.0031742600000000 ] - [ 0.0273812500000000, 0.0000000000000000, 0.0522768700000000 ] - [ 0.0034741700000000, 0.0024480100000000, -0.0002130500000000 ] - [ 0.0034741700000000, -0.0024480100000000, -0.0002130500000000 ] - [ 0.0009914400000000, -0.0062809000000000, -0.0053323500000000 ] - [ -0.0006824800000000, 0.0000000000000000, -0.0012785200000000 ] - [ 0.0009914400000000, 0.0062809000000000, -0.0053323500000000 ] - [ 0.0052668100000000, 0.0000000000000000, 0.0152473700000000 ] - [ 0.0010777400000000, -0.0003830000000000, 0.0016364600000000 ] - [ 0.0010777400000000, 0.0003830000000000, 0.0016364600000000 ] - [ -0.0051102200000000, -0.0078859500000000, 0.0027684500000000 ] - [ -0.0020625600000000, 0.0000000000000000, 0.0010132400000000 ] - [ -0.0051102200000000, 0.0078859500000000, 0.0027684500000000 ] - [ -0.0033712800000000, 0.0015119400000000, -0.0002894800000000 ] - [ -0.0013919300000000, 0.0000000000000000, -0.0002976900000000 ] - [ -0.0033712800000000, -0.0015119400000000, -0.0002894800000000 ] - [ -0.0031181800000000, 0.0000000000000000, -0.0041977400000000 ] - [ -0.0007522600000000, 0.0005497400000000, -0.0007189700000000 ] - [ -0.0007522600000000, -0.0005497400000000, -0.0007189700000000 ] - [ -0.0011292000000000, 0.0006171800000000, -0.0000037100000000 ] - [ -0.0003116600000000, 0.0000000000000000, -0.0000891600000000 ] - [ -0.0011292000000000, -0.0006171800000000, -0.0000037100000000 ] - [ -0.0048990400000000, 0.0000000000000000, 0.0016460700000000 ] - [ -0.0010390000000000, 0.0007963000000000, 0.0003913400000000 ] - [ -0.0010390000000000, -0.0007963000000000, 0.0003913400000000 ] - [ -0.0043259500000000, 0.0005959900000000, -0.0009846400000000 ] - [ -0.0033086400000000, 0.0000000000000000, -0.0005267900000000 ] - [ -0.0043259500000000, -0.0005959900000000, -0.0009846400000000 ] - [ -0.0209788100000000, 0.0000000000000000, 0.0032757200000000 ] - [ 0.0000489600000000, 0.0025806700000000, 0.0002681300000000 ] - [ 0.0000489600000000, -0.0025806700000000, 0.0002681300000000 ] - [ -0.0007981900000000, -0.0000410200000000, -0.0005388000000000 ] - [ -0.0004144700000000, 0.0000000000000000, -0.0002479200000000 ] - [ -0.0007981900000000, 0.0000410200000000, -0.0005388000000000 ] - [ -0.0022748800000000, 0.0000000000000000, 0.0014062300000000 ] - [ 0.0007222000000000, 0.0002843300000000, 0.0007811600000000 ] - [ 0.0007222000000000, -0.0002843300000000, 0.0007811600000000 ] - [ 0.0040536000000000, 0.0000000000000000, -0.0081905900000000 ] - [ 0.0005161600000000, 0.0001595200000000, -0.0013269700000000 ] - [ 0.0005161600000000, -0.0001595200000000, -0.0013269700000000 ] - [ -0.0218145900000000, 0.0000000000000000, -0.0263614500000000 ] - [ 0.0010282200000000, 0.0005121100000000, 0.0005100900000000 ] - [ 0.0010282200000000, -0.0005121100000000, 0.0005100900000000 ] - [ 0.0011906800000000, 0.0000000000000000, 0.0011495600000000 ] - [ 0.0010263100000000, 0.0000813900000000, 0.0009171000000000 ] - [ 0.0010263100000000, -0.0000813900000000, 0.0009171000000000 ] - [ -0.0015582900000000, -0.0000464500000000, -0.0010074900000000 ] - [ -0.0008892200000000, 0.0000000000000000, -0.0004882800000000 ] - [ -0.0015582900000000, 0.0000464500000000, -0.0010074900000000 ] - [ -0.0005449700000000, -0.0000531500000000, 0.0013747900000000 ] - [ -0.0002912700000000, 0.0000000000000000, 0.0006213300000000 ] - [ -0.0005449700000000, 0.0000531500000000, 0.0013747900000000 ] - [ -0.0018201700000000, -0.0000629500000000, -0.0015404100000000 ] - [ -0.0011244200000000, 0.0000000000000000, -0.0009182200000000 ] - [ -0.0018201700000000, 0.0000629500000000, -0.0015404100000000 ] - [ -0.0063949100000000, 0.0000000000000000, -0.0241412400000000 ] - [ -0.0014875500000000, 0.0001756400000000, -0.0021530700000000 ] - [ -0.0014875500000000, -0.0001756400000000, -0.0021530700000000 ] - [ -0.0007324000000000, 0.0006572300000000, -0.0040274000000000 ] - [ -0.0001509800000000, 0.0000000000000000, -0.0015241900000000 ] - [ -0.0007324000000000, -0.0006572300000000, -0.0040274000000000 ] - [ -0.1383563900000000, 0.0000000000000000, -0.0266454800000000 ] - [ -0.0027489700000000, -0.0003247100000000, 0.0006863600000000 ] - [ -0.0027489700000000, 0.0003247100000000, 0.0006863600000000 ] - [ -0.0004013700000000, 0.0006383200000000, 0.0021524100000000 ] - [ 0.0004270000000000, 0.0000000000000000, 0.0005693900000000 ] - [ -0.0004013700000000, -0.0006383200000000, 0.0021524100000000 ] - [ 0.0004023300000000, 0.0000000000000000, -0.0105737600000000 ] - [ -0.0011626900000000, -0.0003575800000000, -0.0006344600000000 ] - [ -0.0011626900000000, 0.0003575800000000, -0.0006344600000000 ] - [ 0.0010131000000000, 0.0011035700000000, 0.0016607300000000 ] - [ 0.0004817800000000, 0.0000000000000000, 0.0005830300000000 ] - [ 0.0010131000000000, -0.0011035700000000, 0.0016607300000000 ] - [ -0.0064967700000000, 0.0000000000000000, 0.0038616500000000 ] - [ -0.0024224500000000, -0.0001311100000000, 0.0005035700000000 ] - [ -0.0024224500000000, 0.0001311100000000, 0.0005035700000000 ] - [ 0.0037013400000000, 0.0005354100000000, -0.0004661500000000 ] - [ 0.0018623400000000, 0.0000000000000000, -0.0002233400000000 ] - [ 0.0037013400000000, -0.0005354100000000, -0.0004661500000000 ] - [ 0.0205763900000000, 0.0000000000000000, -0.0013856700000000 ] - [ 0.0007981300000000, 0.0027731800000000, -0.0011757900000000 ] - [ 0.0007981300000000, -0.0027731800000000, -0.0011757900000000 ] - [ -0.0005428000000000, 0.0007046300000000, -0.0005769200000000 ] - [ 0.0000280900000000, 0.0000000000000000, 0.0003015800000000 ] - [ -0.0005428000000000, -0.0007046300000000, -0.0005769200000000 ] - [ 0.0185268600000000, 0.0000000000000000, 0.0162853500000000 ] - [ -0.0010896700000000, 0.0017073300000000, 0.0007345600000000 ] - [ -0.0010896700000000, -0.0017073300000000, 0.0007345600000000 ] - [ -0.0048872600000000, -0.0038035400000000, -0.0005492900000000 ] - [ -0.0017332400000000, 0.0000000000000000, -0.0001772100000000 ] - [ -0.0048872600000000, 0.0038035400000000, -0.0005492900000000 ] - [ 0.0021639700000000, 0.0000000000000000, -0.0044189200000000 ] - [ 0.0010112000000000, 0.0002538900000000, -0.0006454600000000 ] - [ 0.0010112000000000, -0.0002538900000000, -0.0006454600000000 ] - [ 0.0040973800000000, 0.0125216400000000, 0.0007589100000000 ] - [ -0.0009845500000000, 0.0000000000000000, 0.0010412200000000 ] - [ 0.0040973800000000, -0.0125216400000000, 0.0007589100000000 ] - [ 0.0007927600000000, -0.0001559700000000, 0.0016637800000000 ] - [ 0.0003169300000000, 0.0000000000000000, 0.0009183900000000 ] - [ 0.0007927600000000, 0.0001559700000000, 0.0016637800000000 ] - [ 0.0037214900000000, 0.0000000000000000, 0.0055241700000000 ] - [ 0.0002258400000000, -0.0002963800000000, 0.0002905800000000 ] - [ 0.0002258400000000, 0.0002963800000000, 0.0002905800000000 ] - [ 0.0020737700000000, -0.0001370000000000, 0.0002947400000000 ] - [ 0.0011599900000000, 0.0000000000000000, 0.0003073600000000 ] - [ 0.0020737700000000, 0.0001370000000000, 0.0002947400000000 ] - [ -0.0000893500000000, 0.0000000000000000, -0.0007514100000000 ] - [ -0.0001291600000000, -0.0001459500000000, -0.0005737400000000 ] - [ -0.0001291600000000, 0.0001459500000000, -0.0005737400000000 ] - [ 0.0021430400000000, -0.0000398900000000, 0.0008628000000000 ] - [ 0.0013492600000000, 0.0000000000000000, 0.0005832200000000 ] - [ 0.0021430400000000, 0.0000398900000000, 0.0008628000000000 ] - [ 0.0041721800000000, 0.0000000000000000, -0.0028547900000000 ] - [ -0.0001867200000000, -0.0004383500000000, -0.0007897900000000 ] - [ -0.0001867200000000, 0.0004383500000000, -0.0007897900000000 ] - [ 0.0016951500000000, 0.0000183000000000, -0.0004153300000000 ] - [ 0.0008924700000000, 0.0000000000000000, -0.0001169700000000 ] - [ 0.0016951500000000, -0.0000183000000000, -0.0004153300000000 ] - [ 0.0484219500000000, 0.0000000000000000, 0.0351963700000000 ] - [ -0.0011659900000000, -0.0006692800000000, 0.0002513000000000 ] - [ -0.0011659900000000, 0.0006692800000000, 0.0002513000000000 ] - [ 0.0031158900000000, -0.0040313900000000, -0.0010886500000000 ] - [ 0.0015995400000000, 0.0000000000000000, -0.0009529900000000 ] - [ 0.0031158900000000, 0.0040313900000000, -0.0010886500000000 ] - [ 0.0021560600000000, 0.0000000000000000, 0.0006775300000000 ] - [ 0.0011760400000000, -0.0002589200000000, 0.0006663600000000 ] - [ 0.0011760400000000, 0.0002589200000000, 0.0006663600000000 ] - [ 0.0012551000000000, -0.0011837700000000, -0.0000472800000000 ] - [ 0.0008185600000000, 0.0000000000000000, 0.0000342900000000 ] - [ 0.0012551000000000, 0.0011837700000000, -0.0000472800000000 ] - [ 0.0005274100000000, 0.0000000000000000, 0.0002708600000000 ] - [ -0.0003811200000000, -0.0003115500000000, -0.0000119400000000 ] - [ -0.0003811200000000, 0.0003115500000000, -0.0000119400000000 ] - [ 0.0024940400000000, -0.0008708500000000, 0.0000718500000000 ] - [ 0.0021576300000000, 0.0000000000000000, -0.0000600100000000 ] - [ 0.0024940400000000, 0.0008708500000000, 0.0000718500000000 ] - [ 0.0019153200000000, 0.0000000000000000, 0.0002705900000000 ] - [ -0.0006903200000000, -0.0007373300000000, 0.0003669600000000 ] - [ -0.0006903200000000, 0.0007373300000000, 0.0003669600000000 ]- atom: 67 displacement: [ -0.0099999983408567, 0.0000000000000000, -0.0000057604567923 ] forces: - [ -0.0553062000000000, 0.0000000000000000, 0.0229377100000000 ] - [ -0.0041354400000000, 0.0050329700000000, -0.0010240100000000 ] - [ -0.0041354400000000, -0.0050329700000000, -0.0010240100000000 ] - [ -0.0027927900000000, -0.0001463600000000, -0.0033258500000000 ] - [ -0.0007571100000000, 0.0000000000000000, -0.0009043500000000 ] - [ -0.0027927900000000, 0.0001463600000000, -0.0033258500000000 ] - [ -0.0258245800000000, 0.0000000000000000, -0.0522662400000000 ] - [ -0.0014205600000000, -0.0023353100000000, 0.0002743200000000 ] - [ -0.0014205600000000, 0.0023353100000000, 0.0002743200000000 ] - [ -0.0021688200000000, 0.0062374700000000, 0.0048075700000000 ] - [ -0.0005800700000000, 0.0000000000000000, 0.0008088400000000 ] - [ -0.0021688200000000, -0.0062374700000000, 0.0048075700000000 ] - [ -0.0081874700000000, 0.0000000000000000, -0.0153433500000000 ] - [ -0.0039328900000000, 0.0003851700000000, -0.0018677800000000 ] - [ -0.0039328900000000, -0.0003851700000000, -0.0018677800000000 ] - [ 0.0043822300000000, 0.0077768000000000, -0.0015795400000000 ] - [ 0.0013626700000000, 0.0000000000000000, 0.0001476100000000 ] - [ 0.0043822300000000, -0.0077768000000000, -0.0015795400000000 ] - [ 0.0037444700000000, -0.0015252800000000, 0.0004768700000000 ] - [ 0.0017590600000000, 0.0000000000000000, 0.0004892900000000 ] - [ 0.0037444700000000, 0.0015252800000000, 0.0004768700000000 ] - [ 0.0028085400000000, 0.0000000000000000, 0.0039844700000000 ] - [ 0.0004282600000000, -0.0005560600000000, 0.0004688800000000 ] - [ 0.0004282600000000, 0.0005560600000000, 0.0004688800000000 ] - [ 0.0032036400000000, -0.0006236300000000, 0.0000831700000000 ] - [ 0.0023877700000000, 0.0000000000000000, 0.0001691000000000 ] - [ 0.0032036400000000, 0.0006236300000000, 0.0000831700000000 ] - [ 0.0036164500000000, 0.0000000000000000, -0.0021059500000000 ] - [ -0.0002496500000000, -0.0008008600000000, -0.0008465600000000 ] - [ -0.0002496500000000, 0.0008008600000000, -0.0008465600000000 ] - [ 0.0014927900000000, -0.0006038900000000, 0.0007313100000000 ] - [ 0.0004755700000000, 0.0000000000000000, 0.0002691000000000 ] - [ 0.0014927900000000, 0.0006038900000000, 0.0007313100000000 ] - [ 0.0204146800000000, 0.0000000000000000, -0.0021635500000000 ] - [ -0.0007807100000000, -0.0025979100000000, 0.0008821200000000 ] - [ -0.0007807100000000, 0.0025979100000000, 0.0008821200000000 ] - [ 0.0014537300000000, 0.0000407300000000, 0.0012035900000000 ] - [ 0.0010668200000000, 0.0000000000000000, 0.0009100500000000 ] - [ 0.0014537300000000, -0.0000407300000000, 0.0012035900000000 ] - [ 0.0022725200000000, 0.0000000000000000, -0.0011138200000000 ] - [ -0.0007134800000000, -0.0002839900000000, -0.0004549600000000 ] - [ -0.0007134800000000, 0.0002839900000000, -0.0004549600000000 ] - [ -0.0039628800000000, 0.0000000000000000, 0.0077718800000000 ] - [ -0.0003963700000000, -0.0001598200000000, 0.0008828400000000 ] - [ -0.0003963700000000, 0.0001598200000000, 0.0008828400000000 ] - [ 0.0215135200000000, 0.0000000000000000, 0.0261163300000000 ] - [ -0.0012644500000000, -0.0005101300000000, -0.0008731500000000 ] - [ -0.0012644500000000, 0.0005101300000000, -0.0008731500000000 ] - [ -0.0005574100000000, 0.0000000000000000, -0.0004955600000000 ] - [ -0.0003885200000000, -0.0000816700000000, -0.0002658600000000 ] - [ -0.0003885200000000, 0.0000816700000000, -0.0002658600000000 ] - [ 0.0015800000000000, 0.0000458800000000, 0.0013433800000000 ] - [ 0.0009127300000000, 0.0000000000000000, 0.0008256300000000 ] - [ 0.0015800000000000, -0.0000458800000000, 0.0013433800000000 ] - [ 0.0006662900000000, 0.0000524400000000, -0.0018179200000000 ] - [ 0.0004142700000000, 0.0000000000000000, -0.0010714900000000 ] - [ 0.0006662900000000, -0.0000524400000000, -0.0018179200000000 ] - [ 0.0015962500000000, 0.0000616200000000, 0.0011843500000000 ] - [ 0.0009037300000000, 0.0000000000000000, 0.0005658900000000 ] - [ 0.0015962500000000, -0.0000616200000000, 0.0011843500000000 ] - [ 0.0056976500000000, 0.0000000000000000, 0.0240542100000000 ] - [ 0.0009703800000000, -0.0001755400000000, 0.0023179400000000 ] - [ 0.0009703800000000, 0.0001755400000000, 0.0023179400000000 ] - [ 0.0007101200000000, -0.0006583200000000, 0.0028433200000000 ] - [ 0.0001469000000000, 0.0000000000000000, 0.0003932900000000 ] - [ 0.0007101200000000, 0.0006583200000000, 0.0028433200000000 ] - [ 0.1354696400000000, 0.0000000000000000, 0.0298996200000000 ] - [ 0.0028723300000000, 0.0003159100000000, -0.0006720900000000 ] - [ 0.0028723300000000, -0.0003159100000000, -0.0006720900000000 ] - [ 0.0007267600000000, -0.0006342900000000, -0.0023141600000000 ] - [ -0.0000798600000000, 0.0000000000000000, -0.0007450900000000 ] - [ 0.0007267600000000, 0.0006342900000000, -0.0023141600000000 ] - [ -0.0000981500000000, 0.0000000000000000, 0.0110555900000000 ] - [ 0.0013999200000000, 0.0003529900000000, 0.0010785400000000 ] - [ 0.0013999200000000, -0.0003529900000000, 0.0010785400000000 ] - [ -0.0013170700000000, -0.0010909300000000, -0.0018719400000000 ] - [ -0.0007752500000000, 0.0000000000000000, -0.0008146900000000 ] - [ -0.0013170700000000, 0.0010909300000000, -0.0018719400000000 ] - [ 0.0053042000000000, 0.0000000000000000, -0.0036034700000000 ] - [ 0.0012076800000000, 0.0001313800000000, -0.0002189700000000 ] - [ 0.0012076800000000, -0.0001313800000000, -0.0002189700000000 ] - [ -0.0035276100000000, -0.0005279800000000, 0.0004028600000000 ] - [ -0.0017012200000000, 0.0000000000000000, 0.0001636400000000 ] - [ -0.0035276100000000, 0.0005279800000000, 0.0004028600000000 ] - [ -0.0183327100000000, 0.0000000000000000, -0.0004481500000000 ] - [ 0.0011081200000000, -0.0027477500000000, -0.0006765200000000 ] - [ 0.0011081200000000, 0.0027477500000000, -0.0006765200000000 ] - [ 0.0016546800000000, -0.0007053000000000, 0.0017787900000000 ] - [ 0.0010703200000000, 0.0000000000000000, 0.0009166000000000 ] - [ 0.0016546800000000, 0.0007053000000000, 0.0017787900000000 ] - [ -0.0175410600000000, 0.0000000000000000, -0.0158556900000000 ] - [ 0.0017155200000000, -0.0017053400000000, -0.0006199200000000 ] - [ 0.0017155200000000, 0.0017053400000000, -0.0006199200000000 ] - [ 0.0032297600000000, 0.0035751000000000, 0.0003378800000000 ] - [ 0.0001429600000000, 0.0000000000000000, 0.0000512000000000 ] - [ 0.0032297600000000, -0.0035751000000000, 0.0003378800000000 ] - [ 0.0010450400000000, 0.0000000000000000, 0.0037999300000000 ] - [ 0.0022628600000000, -0.0002745000000000, 0.0003069500000000 ] - [ 0.0022628600000000, 0.0002745000000000, 0.0003069500000000 ] - [ -0.0061482900000000, -0.0123204300000000, 0.0002595400000000 ] - [ -0.0011047900000000, 0.0000000000000000, -0.0000343600000000 ] - [ -0.0061482900000000, 0.0123204300000000, 0.0002595400000000 ] - [ -0.0013063900000000, 0.0001582600000000, -0.0014909100000000 ] - [ -0.0008312200000000, 0.0000000000000000, -0.0007444300000000 ] - [ -0.0013063900000000, -0.0001582600000000, -0.0014909100000000 ] - [ -0.0037505800000000, 0.0000000000000000, -0.0066820300000000 ] - [ -0.0002165400000000, 0.0002986000000000, -0.0013840300000000 ] - [ -0.0002165400000000, -0.0002986000000000, -0.0013840300000000 ] - [ -0.0019374000000000, 0.0001389700000000, -0.0003137000000000 ] - [ -0.0010270200000000, 0.0000000000000000, -0.0003258200000000 ] - [ -0.0019374000000000, -0.0001389700000000, -0.0003137000000000 ] - [ 0.0004613500000000, 0.0000000000000000, 0.0005727000000000 ] - [ 0.0004981200000000, 0.0001470200000000, 0.0003959600000000 ] - [ 0.0004981200000000, -0.0001470200000000, 0.0003959600000000 ] - [ -0.0019282600000000, 0.0000414500000000, -0.0004114800000000 ] - [ -0.0011343600000000, 0.0000000000000000, -0.0001342600000000 ] - [ -0.0019282600000000, -0.0000414500000000, -0.0004114800000000 ] - [ -0.0044485300000000, 0.0000000000000000, 0.0026571300000000 ] - [ -0.0000863100000000, 0.0004398500000000, 0.0005570400000000 ] - [ -0.0000863100000000, -0.0004398500000000, 0.0005570400000000 ] - [ -0.0029299800000000, -0.0000172200000000, 0.0006940900000000 ] - [ -0.0021277900000000, 0.0000000000000000, 0.0004006600000000 ] - [ -0.0029299800000000, 0.0000172200000000, 0.0006940900000000 ] - [ -0.0490117900000000, 0.0000000000000000, -0.0359903900000000 ] - [ 0.0013513200000000, 0.0006693300000000, -0.0003092900000000 ] - [ 0.0013513200000000, -0.0006693300000000, -0.0003092900000000 ] - [ -0.0012078500000000, 0.0040639200000000, -0.0007584600000000 ] - [ 0.0003163600000000, 0.0000000000000000, -0.0008964700000000 ] - [ -0.0012078500000000, -0.0040639200000000, -0.0007584600000000 ] - [ -0.0010704000000000, 0.0000000000000000, 0.0005481500000000 ] - [ -0.0000806700000000, 0.0002638800000000, 0.0005579200000000 ] - [ -0.0000806700000000, -0.0002638800000000, 0.0005579200000000 ] - [ -0.0006051200000000, 0.0011914400000000, 0.0001441800000000 ] - [ -0.0001678600000000, 0.0000000000000000, 0.0000637500000000 ] - [ -0.0006051200000000, -0.0011914400000000, 0.0001441800000000 ] - [ -0.0020999500000000, 0.0000000000000000, -0.0003927400000000 ] - [ -0.0011874700000000, 0.0003169100000000, -0.0001051600000000 ] - [ -0.0011874700000000, -0.0003169100000000, -0.0001051600000000 ] - [ 0.0007725800000000, 0.0008778900000000, -0.0003945700000000 ] - [ 0.0011103800000000, 0.0000000000000000, -0.0002623900000000 ] - [ 0.0007725800000000, -0.0008778900000000, -0.0003945700000000 ] - [ -0.0040212200000000, 0.0000000000000000, 0.0007258700000000 ] - [ -0.0013919900000000, 0.0007419400000000, 0.0006314000000000 ] - [ -0.0013919900000000, -0.0007419400000000, 0.0006314000000000 ]- atom: 67 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0000984500000000, 0.0108766700000000, 0.0002515500000000 ] - [ -0.0008606300000000, -0.0041976500000000, 0.0010251000000000 ] - [ 0.0012163000000000, -0.0041707400000000, -0.0008286700000000 ] - [ -0.0000782900000000, 0.0007428000000000, -0.0020248600000000 ] - [ -0.0001592900000000, -0.0012339100000000, -0.0001271700000000 ] - [ -0.0002377000000000, 0.0006839800000000, 0.0017536000000000 ] - [ 0.0009333400000000, 0.0159517100000000, -0.0005434500000000 ] - [ 0.0009758500000000, -0.0044007200000000, -0.0012558900000000 ] - [ 0.0010949400000000, -0.0043844000000000, 0.0013297900000000 ] - [ -0.0031283600000000, 0.0005383400000000, -0.0017900400000000 ] - [ -0.0006431000000000, -0.0014062100000000, -0.0002285600000000 ] - [ 0.0018378500000000, 0.0005072100000000, 0.0013216600000000 ] - [ -0.0014332200000000, 0.0014053500000000, -0.0001238800000000 ] - [ -0.0013402600000000, -0.0005873500000000, 0.0001999000000000 ] - [ -0.0015004100000000, -0.0005968900000000, -0.0004556200000000 ] - [ -0.0023462300000000, 0.0010335900000000, 0.0012749600000000 ] - [ -0.0003553400000000, -0.0016518900000000, 0.0005770200000000 ] - [ 0.0016156000000000, 0.0009811200000000, -0.0001122200000000 ] - [ 0.0001751300000000, 0.0001394700000000, 0.0000675800000000 ] - [ 0.0001845200000000, -0.0002674900000000, 0.0000954600000000 ] - [ 0.0001887200000000, 0.0001350200000000, 0.0001201500000000 ] - [ -0.0001610500000000, 0.0001963900000000, -0.0001285600000000 ] - [ 0.0000094400000000, -0.0001001100000000, -0.0000188000000000 ] - [ -0.0003242500000000, -0.0001013700000000, -0.0002280800000000 ] - [ 0.0008504100000000, 0.0001161300000000, -0.0000162200000000 ] - [ 0.0010357000000000, -0.0002294100000000, 0.0000393900000000 ] - [ 0.0012216200000000, 0.0001146700000000, 0.0000977500000000 ] - [ -0.0006413500000000, 0.0002961400000000, -0.0002275800000000 ] - [ -0.0002710800000000, -0.0001387700000000, -0.0002970100000000 ] - [ -0.0010014500000000, -0.0001404400000000, -0.0001565800000000 ] - [ -0.0017218500000000, 0.0001266000000000, -0.0001444200000000 ] - [ -0.0014211600000000, -0.0002528000000000, -0.0001294800000000 ] - [ -0.0011204500000000, 0.0001238200000000, -0.0001121200000000 ] - [ -0.0003783100000000, 0.0007729100000000, 0.0005870900000000 ] - [ 0.0006232600000000, -0.0003538100000000, 0.0006558500000000 ] - [ -0.0013218700000000, -0.0003578300000000, 0.0004978600000000 ] - [ 0.0000064900000000, 0.0000209900000000, 0.0000643700000000 ] - [ 0.0003219300000000, -0.0000332000000000, 0.0003274300000000 ] - [ 0.0006381400000000, 0.0000206900000000, 0.0005907600000000 ] - [ 0.0000059200000000, 0.0013570900000000, 0.0001623900000000 ] - [ 0.0002897500000000, -0.0001349800000000, 0.0002614900000000 ] - [ -0.0002650200000000, -0.0001339500000000, 0.0000756100000000 ] - [ 0.0000676300000000, 0.0001466400000000, -0.0002327100000000 ] - [ 0.0000706000000000, -0.0000773700000000, -0.0000863200000000 ] - [ 0.0000520300000000, -0.0000772300000000, -0.0003622800000000 ] - [ -0.0001566300000000, 0.0103970600000000, -0.0002027400000000 ] - [ 0.0002929000000000, -0.0004771900000000, 0.0001655500000000 ] - [ -0.0005127500000000, -0.0004721300000000, -0.0005164500000000 ] - [ 0.0003219600000000, -0.0000101100000000, 0.0003266900000000 ] - [ 0.0004642100000000, -0.0000128100000000, 0.0004174900000000 ] - [ 0.0001830400000000, -0.0000131800000000, 0.0002396600000000 ] - [ -0.0002818500000000, 0.0000236700000000, -0.0000768800000000 ] - [ 0.0000091400000000, -0.0000280500000000, 0.0001666900000000 ] - [ 0.0003019200000000, 0.0000234600000000, 0.0004117100000000 ] - [ 0.0000133900000000, 0.0000200500000000, -0.0000503900000000 ] - [ 0.0000609100000000, -0.0000308000000000, -0.0002241400000000 ] - [ 0.0001094600000000, 0.0000197500000000, -0.0003996800000000 ] - [ -0.0002608800000000, 0.0000371400000000, -0.0003669600000000 ] - [ -0.0001125900000000, -0.0000274800000000, -0.0001777100000000 ] - [ 0.0000374600000000, 0.0000368800000000, 0.0000116200000000 ] - [ -0.0002657500000000, -0.0029920900000000, 0.0000945100000000 ] - [ -0.0003715300000000, 0.0003289400000000, -0.0008720200000000 ] - [ -0.0001380400000000, 0.0003279000000000, 0.0010496500000000 ] - [ 0.0002189700000000, -0.0001168400000000, -0.0001289400000000 ] - [ 0.0000029400000000, 0.0002534900000000, -0.0005540900000000 ] - [ -0.0002116400000000, -0.0001078300000000, -0.0009652800000000 ] - [ 0.0003618700000000, -0.0344012200000000, 0.0003638100000000 ] - [ 0.0003927800000000, 0.0011889700000000, 0.0002255600000000 ] - [ -0.0002464100000000, 0.0011827100000000, -0.0002466000000000 ] - [ 0.0007017500000000, -0.0001060200000000, 0.0006701900000000 ] - [ 0.0001793300000000, 0.0002062600000000, -0.0000869400000000 ] - [ -0.0003382900000000, -0.0001006200000000, -0.0008428200000000 ] - [ 0.0001218200000000, -0.0026802700000000, 0.0002241500000000 ] - [ -0.0002695600000000, 0.0003389300000000, 0.0005972800000000 ] - [ 0.0004838000000000, 0.0003381800000000, -0.0001436500000000 ] - [ 0.0007718900000000, -0.0000429200000000, 0.0000829500000000 ] - [ -0.0001396200000000, 0.0002258000000000, -0.0001189200000000 ] - [ -0.0010487300000000, -0.0000379600000000, -0.0003210900000000 ] - [ -0.0006138900000000, -0.0001591000000000, 0.0001493400000000 ] - [ -0.0007365800000000, 0.0000706100000000, 0.0000320800000000 ] - [ -0.0004909500000000, 0.0000712600000000, 0.0002541400000000 ] - [ 0.0007934100000000, -0.0000511600000000, -0.0000012300000000 ] - [ 0.0000837100000000, 0.0001049600000000, -0.0000296600000000 ] - [ -0.0006250100000000, -0.0000476900000000, -0.0000551900000000 ] - [ 0.0008988600000000, 0.0003124600000000, -0.0009238800000000 ] - [ 0.0018417900000000, 0.0014095600000000, -0.0011267000000000 ] - [ 0.0000840900000000, 0.0014149100000000, -0.0007263200000000 ] - [ 0.0003212300000000, -0.0007918800000000, 0.0007182300000000 ] - [ 0.0005487500000000, 0.0012041400000000, 0.0006123200000000 ] - [ 0.0007806000000000, -0.0007717200000000, 0.0005047400000000 ] - [ 0.0002775200000000, -0.0049325100000000, 0.0000259800000000 ] - [ 0.0007662000000000, 0.0009026200000000, 0.0002115100000000 ] - [ -0.0001128300000000, 0.0009105100000000, -0.0001112100000000 ] - [ 0.0024708100000000, 0.0034454100000000, 0.0080868400000000 ] - [ -0.0007822800000000, 0.0023468700000000, -0.0000586900000000 ] - [ -0.0039941300000000, 0.0033917400000000, -0.0080844400000000 ] - [ 0.0016221500000000, -0.0001478400000000, -0.0002302500000000 ] - [ 0.0017262500000000, 0.0009432500000000, 0.0004554500000000 ] - [ 0.0015471000000000, 0.0009459300000000, -0.0007699400000000 ] - [ 0.0068614300000000, 0.0040944000000000, -0.0007759700000000 ] - [ -0.0010407300000000, 0.0019707100000000, 0.0004988100000000 ] - [ -0.0088175000000000, 0.0040301700000000, 0.0017573900000000 ] - [ -0.0002130300000000, -0.0000218300000000, 0.0001055100000000 ] - [ -0.0002561800000000, 0.0000442600000000, 0.0000886500000000 ] - [ -0.0002953900000000, -0.0000217100000000, 0.0000786700000000 ] - [ 0.0000070300000000, -0.0000141100000000, -0.0005464600000000 ] - [ -0.0001249900000000, 0.0000337100000000, -0.0007363000000000 ] - [ 0.0001305800000000, 0.0000345900000000, -0.0003630200000000 ] - [ 0.0002094700000000, -0.0000282500000000, 0.0000994500000000 ] - [ 0.0000680300000000, 0.0000476000000000, -0.0000099800000000 ] - [ -0.0000697800000000, -0.0000278000000000, -0.0001253300000000 ] - [ 0.0001793300000000, -0.0000511000000000, -0.0000860600000000 ] - [ 0.0000510300000000, 0.0000279100000000, -0.0001090200000000 ] - [ 0.0003089000000000, 0.0000281900000000, -0.0000702900000000 ] - [ 0.0004032900000000, -0.0000259400000000, 0.0003743500000000 ] - [ 0.0001110500000000, 0.0000493800000000, 0.0002254400000000 ] - [ -0.0001842300000000, -0.0000259100000000, 0.0000771300000000 ] - [ -0.0001392100000000, -0.0004358200000000, -0.0001204500000000 ] - [ -0.0005758300000000, 0.0001359300000000, -0.0001233800000000 ] - [ 0.0002876900000000, 0.0001354800000000, -0.0001157000000000 ] - [ -0.0002257200000000, -0.0000254000000000, 0.0001777800000000 ] - [ -0.0006121400000000, 0.0000477600000000, 0.0001429400000000 ] - [ -0.0009990200000000, -0.0000254600000000, 0.0001100000000000 ] - [ 0.0001808000000000, -0.0057271600000000, 0.0000350600000000 ] - [ -0.0006982700000000, 0.0003467600000000, -0.0002095400000000 ] - [ 0.0008533500000000, 0.0003445300000000, 0.0001498100000000 ] - [ 0.0008230400000000, -0.0002871000000000, -0.0009647700000000 ] - [ 0.0009567400000000, 0.0005199900000000, -0.0009252200000000 ] - [ 0.0010905700000000, -0.0002778800000000, -0.0008861900000000 ] - [ 0.0005484600000000, -0.0002733300000000, 0.0006133000000000 ] - [ 0.0005176000000000, 0.0001358300000000, 0.0006177100000000 ] - [ 0.0005777800000000, 0.0001374900000000, 0.0006075500000000 ] - [ 0.0003391300000000, -0.0001375300000000, 0.0000634100000000 ] - [ 0.0003243000000000, 0.0002668500000000, 0.0000488700000000 ] - [ 0.0003088300000000, -0.0001350800000000, 0.0000311300000000 ] - [ -0.0007838000000000, -0.0002286900000000, -0.0000586000000000 ] - [ -0.0008449100000000, 0.0001124700000000, -0.0000725700000000 ] - [ -0.0007250000000000, 0.0001132600000000, -0.0000445500000000 ] - [ 0.0016963200000000, -0.0000891300000000, -0.0001424500000000 ] - [ 0.0016344300000000, 0.0001747500000000, -0.0001614400000000 ] - [ 0.0015732300000000, -0.0000846400000000, -0.0001792800000000 ] - [ -0.0010393700000000, -0.0002244000000000, 0.0004964100000000 ] - [ -0.0011617900000000, 0.0001043300000000, 0.0004796000000000 ] - [ -0.0009236000000000, 0.0001091300000000, 0.0005160400000000 ]- atom: 67 displacement: [ -0.0020604768976038, 0.0000000000000000, 0.0097854195083523 ] forces: - [ 0.0098978600000000, 0.0000000000000000, 0.0229704600000000 ] - [ -0.0032980400000000, 0.0072925400000000, 0.0004780400000000 ] - [ -0.0032980400000000, -0.0072925400000000, 0.0004780400000000 ] - [ -0.0027934300000000, -0.0064789100000000, -0.0108020600000000 ] - [ -0.0010598300000000, 0.0000000000000000, -0.0024515800000000 ] - [ -0.0027934300000000, 0.0064789100000000, -0.0108020600000000 ] - [ 0.0123853300000000, 0.0000000000000000, 0.1472105100000000 ] - [ 0.0031326700000000, -0.0104629500000000, 0.0039590000000000 ] - [ 0.0031326700000000, 0.0104629500000000, 0.0039590000000000 ] - [ -0.0087079300000000, -0.0040382500000000, 0.0092143100000000 ] - [ -0.0026045300000000, 0.0000000000000000, 0.0013493500000000 ] - [ -0.0087079300000000, 0.0040382500000000, 0.0092143100000000 ] - [ 0.0026170500000000, 0.0000000000000000, -0.0352888200000000 ] - [ -0.0003081200000000, 0.0001887000000000, -0.0039470300000000 ] - [ -0.0003081200000000, -0.0001887000000000, -0.0039470300000000 ] - [ 0.0037552900000000, 0.0086497300000000, -0.0017993400000000 ] - [ -0.0004390500000000, 0.0000000000000000, 0.0002050400000000 ] - [ 0.0037552900000000, -0.0086497300000000, -0.0017993400000000 ] - [ -0.0004054200000000, 0.0005699400000000, 0.0002803200000000 ] - [ 0.0000345600000000, 0.0000000000000000, 0.0001206900000000 ] - [ -0.0004054200000000, -0.0005699400000000, 0.0002803200000000 ] - [ -0.0005950300000000, 0.0000000000000000, -0.0022973100000000 ] - [ 0.0000667500000000, 0.0002611900000000, -0.0003754700000000 ] - [ 0.0000667500000000, -0.0002611900000000, -0.0003754700000000 ] - [ 0.0010474100000000, 0.0002189200000000, 0.0003719300000000 ] - [ 0.0008798600000000, 0.0000000000000000, 0.0001201100000000 ] - [ 0.0010474100000000, -0.0002189200000000, 0.0003719300000000 ] - [ 0.0013095200000000, 0.0000000000000000, -0.0008205800000000 ] - [ -0.0000096200000000, 0.0000556700000000, -0.0001354100000000 ] - [ -0.0000096200000000, -0.0000556700000000, -0.0001354100000000 ] - [ -0.0020600200000000, 0.0003118500000000, -0.0004630600000000 ] - [ -0.0019040900000000, 0.0000000000000000, -0.0002753000000000 ] - [ -0.0020600200000000, -0.0003118500000000, -0.0004630600000000 ] - [ -0.0110169700000000, 0.0000000000000000, 0.0060581100000000 ] - [ 0.0000560900000000, 0.0010935100000000, 0.0011124900000000 ] - [ 0.0000560900000000, -0.0010935100000000, 0.0011124900000000 ] - [ -0.0008218800000000, -0.0000159200000000, -0.0006783600000000 ] - [ -0.0001933600000000, 0.0000000000000000, -0.0001091100000000 ] - [ -0.0008218800000000, 0.0000159200000000, -0.0006783600000000 ] - [ 0.0074111500000000, 0.0000000000000000, 0.0058895600000000 ] - [ 0.0008726800000000, -0.0001719900000000, 0.0009449500000000 ] - [ 0.0008726800000000, 0.0001719900000000, 0.0009449500000000 ] - [ 0.0006640200000000, 0.0000000000000000, -0.0038796000000000 ] - [ 0.0001424000000000, 0.0001839800000000, -0.0007112900000000 ] - [ 0.0001424000000000, -0.0001839800000000, -0.0007112900000000 ] - [ -0.0229376000000000, 0.0000000000000000, -0.0075019300000000 ] - [ 0.0005547300000000, 0.0003229600000000, 0.0005473200000000 ] - [ 0.0005547300000000, -0.0003229600000000, 0.0005473200000000 ] - [ -0.0000588300000000, 0.0000000000000000, -0.0005763800000000 ] - [ 0.0006102100000000, 0.0000005100000000, 0.0004428900000000 ] - [ 0.0006102100000000, -0.0000005100000000, 0.0004428900000000 ] - [ -0.0002005300000000, -0.0000173000000000, 0.0001488900000000 ] - [ -0.0002723000000000, 0.0000000000000000, -0.0000008800000000 ] - [ -0.0002005300000000, 0.0000173000000000, 0.0001488900000000 ] - [ 0.0002497200000000, 0.0000543900000000, -0.0010969000000000 ] - [ 0.0000538600000000, 0.0000000000000000, -0.0003314200000000 ] - [ 0.0002497200000000, -0.0000543900000000, -0.0010969000000000 ] - [ 0.0001447000000000, 0.0000801000000000, 0.0003572000000000 ] - [ -0.0002046900000000, 0.0000000000000000, -0.0001708000000000 ] - [ 0.0001447000000000, -0.0000801000000000, 0.0003572000000000 ] - [ -0.0033824200000000, 0.0000000000000000, 0.0415124100000000 ] - [ 0.0002818100000000, -0.0004746900000000, 0.0025404800000000 ] - [ 0.0002818100000000, 0.0004746900000000, 0.0025404800000000 ] - [ 0.0020125200000000, -0.0001030700000000, 0.0074369700000000 ] - [ 0.0006526100000000, 0.0000000000000000, 0.0015990900000000 ] - [ 0.0020125200000000, 0.0001030700000000, 0.0074369700000000 ] - [ -0.0010855600000000, 0.0000000000000000, -0.2377165000000000 ] - [ 0.0013111900000000, -0.0001731300000000, -0.0049041000000000 ] - [ 0.0013111900000000, 0.0001731300000000, -0.0049041000000000 ] - [ 0.0026074100000000, 0.0007716900000000, -0.0000593300000000 ] - [ 0.0008700600000000, 0.0000000000000000, 0.0000449400000000 ] - [ 0.0026074100000000, -0.0007716900000000, -0.0000593300000000 ] - [ -0.0181365400000000, 0.0000000000000000, 0.0163961400000000 ] - [ -0.0015256200000000, 0.0006365400000000, 0.0011509400000000 ] - [ -0.0015256200000000, -0.0006365400000000, 0.0011509400000000 ] - [ 0.0019893300000000, -0.0003902000000000, -0.0042277500000000 ] - [ 0.0008391000000000, 0.0000000000000000, -0.0011332000000000 ] - [ 0.0019893300000000, 0.0003902000000000, -0.0042277500000000 ] - [ -0.0010836600000000, 0.0000000000000000, 0.0043170500000000 ] - [ -0.0013048700000000, -0.0001040800000000, 0.0005886900000000 ] - [ -0.0013048700000000, 0.0001040800000000, 0.0005886900000000 ] - [ -0.0014642500000000, -0.0006733500000000, 0.0002127100000000 ] - [ 0.0001965900000000, 0.0000000000000000, 0.0000109600000000 ] - [ -0.0014642500000000, 0.0006733500000000, 0.0002127100000000 ] - [ -0.0236641300000000, 0.0000000000000000, -0.0000412500000000 ] - [ 0.0008818400000000, -0.0027299000000000, -0.0006065100000000 ] - [ 0.0008818400000000, 0.0027299000000000, -0.0006065100000000 ] - [ -0.0009456800000000, -0.0008902100000000, 0.0039482900000000 ] - [ 0.0001268100000000, 0.0000000000000000, 0.0014366800000000 ] - [ -0.0009456800000000, 0.0008902100000000, 0.0039482900000000 ] - [ 0.0167500800000000, 0.0000000000000000, -0.0064403000000000 ] - [ 0.0017059400000000, 0.0012045000000000, -0.0020106400000000 ] - [ 0.0017059400000000, -0.0012045000000000, -0.0020106400000000 ] - [ 0.0070378700000000, 0.0254315300000000, 0.0056498200000000 ] - [ 0.0009499000000000, 0.0000000000000000, 0.0004807700000000 ] - [ 0.0070378700000000, -0.0254315300000000, 0.0056498200000000 ] - [ 0.0040271100000000, 0.0000000000000000, 0.0257307000000000 ] - [ 0.0008543800000000, 0.0019366000000000, 0.0013358700000000 ] - [ 0.0008543800000000, -0.0019366000000000, 0.0013358700000000 ] - [ -0.0089613800000000, -0.0150730900000000, -0.0034279500000000 ] - [ -0.0010857700000000, 0.0000000000000000, -0.0008181200000000 ] - [ -0.0089613800000000, 0.0150730900000000, -0.0034279500000000 ] - [ -0.0000761700000000, -0.0000775200000000, 0.0005264000000000 ] - [ -0.0001702700000000, 0.0000000000000000, 0.0002513500000000 ] - [ -0.0000761700000000, 0.0000775200000000, 0.0005264000000000 ] - [ 0.0016848900000000, 0.0000000000000000, 0.0021240100000000 ] - [ -0.0000115400000000, -0.0001347400000000, -0.0003936800000000 ] - [ -0.0000115400000000, 0.0001347400000000, -0.0003936800000000 ] - [ -0.0000417300000000, -0.0000839600000000, -0.0005189400000000 ] - [ 0.0001543200000000, 0.0000000000000000, -0.0000813000000000 ] - [ -0.0000417300000000, 0.0000839600000000, -0.0005189400000000 ] - [ -0.0002500100000000, 0.0000000000000000, 0.0012139600000000 ] - [ -0.0002046300000000, -0.0000128200000000, -0.0000365400000000 ] - [ -0.0002046300000000, 0.0000128200000000, -0.0000365400000000 ] - [ 0.0003755900000000, -0.0000244000000000, 0.0002496700000000 ] - [ 0.0004365700000000, 0.0000000000000000, 0.0003325700000000 ] - [ 0.0003755900000000, 0.0000244000000000, 0.0002496700000000 ] - [ -0.0037370600000000, 0.0000000000000000, -0.0045735700000000 ] - [ -0.0009060700000000, 0.0000164000000000, -0.0008157500000000 ] - [ -0.0009060700000000, -0.0000164000000000, -0.0008157500000000 ] - [ 0.0002130700000000, -0.0000229200000000, 0.0011224900000000 ] - [ -0.0000802900000000, 0.0000000000000000, 0.0004059000000000 ] - [ 0.0002130700000000, 0.0000229200000000, 0.0011224900000000 ] - [ 0.0340411900000000, 0.0000000000000000, 0.0158758500000000 ] - [ -0.0004969600000000, -0.0004075800000000, -0.0002062500000000 ] - [ -0.0004969600000000, 0.0004075800000000, -0.0002062500000000 ] - [ 0.0016804500000000, -0.0019089500000000, -0.0012574500000000 ] - [ 0.0010567800000000, 0.0000000000000000, -0.0010084800000000 ] - [ 0.0016804500000000, 0.0019089500000000, -0.0012574500000000 ] - [ 0.0009317600000000, 0.0000000000000000, 0.0006605200000000 ] - [ 0.0006021400000000, -0.0002033300000000, 0.0006471100000000 ] - [ 0.0006021400000000, 0.0002033300000000, 0.0006471100000000 ] - [ 0.0000873300000000, -0.0000574100000000, -0.0001562100000000 ] - [ 0.0002417800000000, 0.0000000000000000, -0.0000297500000000 ] - [ 0.0000873300000000, 0.0000574100000000, -0.0001562100000000 ] - [ -0.0008219900000000, 0.0000000000000000, 0.0000925800000000 ] - [ -0.0008809100000000, -0.0001774000000000, -0.0000650600000000 ] - [ -0.0008809100000000, 0.0001774000000000, -0.0000650600000000 ] - [ 0.0017278300000000, -0.0003488400000000, -0.0000945300000000 ] - [ 0.0016955000000000, 0.0000000000000000, -0.0001321800000000 ] - [ 0.0017278300000000, 0.0003488400000000, -0.0000945300000000 ] - [ -0.0000681800000000, 0.0000000000000000, -0.0002690900000000 ] - [ -0.0011046100000000, -0.0003353400000000, 0.0002918800000000 ] - [ -0.0011046100000000, 0.0003353400000000, 0.0002918800000000 ]- atom: 67 displacement: [ 0.0020604768976038, 0.0000000000000000, -0.0097854195083523 ] forces: - [ -0.0076249200000000, 0.0000000000000000, -0.0235034000000000 ] - [ 0.0036685900000000, -0.0072543500000000, -0.0003099000000000 ] - [ 0.0036685900000000, 0.0072543500000000, -0.0003099000000000 ] - [ 0.0024115200000000, 0.0064051800000000, 0.0105339700000000 ] - [ 0.0007281800000000, 0.0000000000000000, 0.0021911400000000 ] - [ 0.0024115200000000, -0.0064051800000000, 0.0105339700000000 ] - [ -0.0082920800000000, 0.0000000000000000, -0.1370254000000000 ] - [ -0.0010438000000000, 0.0104358300000000, -0.0038187200000000 ] - [ -0.0010438000000000, -0.0104358300000000, -0.0038187200000000 ] - [ 0.0074160000000000, 0.0040968400000000, -0.0096131200000000 ] - [ 0.0013168400000000, 0.0000000000000000, -0.0017969000000000 ] - [ 0.0074160000000000, -0.0040968400000000, -0.0096131200000000 ] - [ -0.0053734700000000, 0.0000000000000000, 0.0349957000000000 ] - [ -0.0025150200000000, -0.0002316600000000, 0.0036694200000000 ] - [ -0.0025150200000000, 0.0002316600000000, 0.0036694200000000 ] - [ -0.0044525500000000, -0.0086676100000000, 0.0029167900000000 ] - [ -0.0002772900000000, 0.0000000000000000, 0.0009424400000000 ] - [ -0.0044525500000000, 0.0086676100000000, 0.0029167900000000 ] - [ 0.0007551400000000, -0.0005651200000000, -0.0000920900000000 ] - [ 0.0003253500000000, 0.0000000000000000, 0.0000692900000000 ] - [ 0.0007551400000000, 0.0005651200000000, -0.0000920900000000 ] - [ 0.0002770700000000, 0.0000000000000000, 0.0020257200000000 ] - [ -0.0003841100000000, -0.0002604300000000, 0.0001211900000000 ] - [ -0.0003841100000000, 0.0002604300000000, 0.0001211900000000 ] - [ 0.0010220400000000, -0.0002177300000000, -0.0002891600000000 ] - [ 0.0011890600000000, 0.0000000000000000, -0.0000403800000000 ] - [ 0.0010220400000000, 0.0002177300000000, -0.0002891600000000 ] - [ -0.0026033200000000, 0.0000000000000000, 0.0003853100000000 ] - [ -0.0012689900000000, -0.0000536200000000, -0.0003108400000000 ] - [ -0.0012689900000000, 0.0000536200000000, -0.0003108400000000 ] - [ -0.0007910000000000, -0.0003101600000000, 0.0002044500000000 ] - [ -0.0009442700000000, 0.0000000000000000, 0.0000154400000000 ] - [ -0.0007910000000000, 0.0003101600000000, 0.0002044500000000 ] - [ 0.0101894900000000, 0.0000000000000000, -0.0048811800000000 ] - [ -0.0007727100000000, -0.0010794400000000, 0.0000399300000000 ] - [ -0.0007727100000000, 0.0010794400000000, 0.0000399300000000 ] - [ 0.0014620000000000, 0.0000156400000000, 0.0013306000000000 ] - [ 0.0008344700000000, 0.0000000000000000, 0.0007620600000000 ] - [ 0.0014620000000000, -0.0000156400000000, 0.0013306000000000 ] - [ -0.0073588900000000, 0.0000000000000000, -0.0054558900000000 ] - [ -0.0008454600000000, 0.0001737200000000, -0.0006009700000000 ] - [ -0.0008454600000000, -0.0001737200000000, -0.0006009700000000 ] - [ -0.0004994200000000, 0.0000000000000000, 0.0033245200000000 ] - [ -0.0000155900000000, -0.0001829000000000, 0.0002481400000000 ] - [ -0.0000155900000000, 0.0001829000000000, 0.0002481400000000 ] - [ 0.0225056100000000, 0.0000000000000000, 0.0068180100000000 ] - [ -0.0007740500000000, -0.0003138400000000, -0.0008997500000000 ] - [ -0.0007740500000000, 0.0003138400000000, -0.0008997500000000 ] - [ 0.0007360600000000, 0.0000000000000000, 0.0012476400000000 ] - [ 0.0000423400000000, -0.0000010900000000, 0.0002188200000000 ] - [ 0.0000423400000000, 0.0000010900000000, 0.0002188200000000 ] - [ 0.0002192100000000, 0.0000174100000000, 0.0001863400000000 ] - [ 0.0002881000000000, 0.0000000000000000, 0.0003331500000000 ] - [ 0.0002192100000000, -0.0000174100000000, 0.0001863400000000 ] - [ -0.0001297900000000, -0.0000548700000000, 0.0006515500000000 ] - [ 0.0000673000000000, 0.0000000000000000, -0.0001152000000000 ] - [ -0.0001297900000000, 0.0000548700000000, 0.0006515500000000 ] - [ -0.0003742600000000, -0.0000805000000000, -0.0007139500000000 ] - [ -0.0000225600000000, 0.0000000000000000, -0.0001855700000000 ] - [ -0.0003742600000000, 0.0000805000000000, -0.0007139500000000 ] - [ 0.0029959700000000, 0.0000000000000000, -0.0417825500000000 ] - [ -0.0007880000000000, 0.0004759200000000, -0.0023290400000000 ] - [ -0.0007880000000000, -0.0004759200000000, -0.0023290400000000 ] - [ -0.0019883000000000, 0.0001072900000000, -0.0084893200000000 ] - [ -0.0006428300000000, 0.0000000000000000, -0.0026935400000000 ] - [ -0.0019883000000000, -0.0001072900000000, -0.0084893200000000 ] - [ -0.0023693000000000, 0.0000000000000000, 0.2287857000000000 ] - [ -0.0011805800000000, 0.0001536600000000, 0.0048528500000000 ] - [ -0.0011805800000000, -0.0001536600000000, 0.0048528500000000 ] - [ -0.0022216100000000, -0.0007736400000000, -0.0001474000000000 ] - [ -0.0005046200000000, 0.0000000000000000, -0.0002240900000000 ] - [ -0.0022216100000000, 0.0007736400000000, -0.0001474000000000 ] - [ 0.0180744300000000, 0.0000000000000000, -0.0158318000000000 ] - [ 0.0017340600000000, -0.0006339800000000, -0.0007098200000000 ] - [ 0.0017340600000000, 0.0006339800000000, -0.0007098200000000 ] - [ -0.0022694500000000, 0.0003826200000000, 0.0039847600000000 ] - [ -0.0011164200000000, 0.0000000000000000, 0.0008948700000000 ] - [ -0.0022694500000000, -0.0003826200000000, 0.0039847600000000 ] - [ -0.0002462100000000, 0.0000000000000000, -0.0039634900000000 ] - [ 0.0000632600000000, 0.0001057400000000, -0.0002948600000000 ] - [ 0.0000632600000000, -0.0001057400000000, -0.0002948600000000 ] - [ 0.0016390900000000, 0.0006765500000000, -0.0002706400000000 ] - [ -0.0000226500000000, 0.0000000000000000, -0.0000695300000000 ] - [ 0.0016390900000000, -0.0006765500000000, -0.0002706400000000 ] - [ 0.0257169500000000, 0.0000000000000000, -0.0018882500000000 ] - [ 0.0010243200000000, 0.0027253100000000, -0.0012379600000000 ] - [ 0.0010243200000000, -0.0027253100000000, -0.0012379600000000 ] - [ 0.0020495300000000, 0.0009640100000000, -0.0027192500000000 ] - [ 0.0009734800000000, 0.0000000000000000, -0.0002109700000000 ] - [ 0.0020495300000000, -0.0009640100000000, -0.0027192500000000 ] - [ -0.0162013900000000, 0.0000000000000000, 0.0063471800000000 ] - [ -0.0010466700000000, -0.0012076100000000, 0.0021010400000000 ] - [ -0.0010466700000000, 0.0012076100000000, 0.0021010400000000 ] - [ -0.0085681200000000, -0.0251952800000000, -0.0058428600000000 ] - [ -0.0025078700000000, 0.0000000000000000, -0.0006016000000000 ] - [ -0.0085681200000000, 0.0251952800000000, -0.0058428600000000 ] - [ -0.0006669900000000, 0.0000000000000000, -0.0257461500000000 ] - [ 0.0024148600000000, -0.0019188400000000, -0.0016617700000000 ] - [ 0.0024148600000000, 0.0019188400000000, -0.0016617700000000 ] - [ 0.0068016500000000, 0.0150683300000000, 0.0044830900000000 ] - [ -0.0010018400000000, 0.0000000000000000, 0.0018148600000000 ] - [ 0.0068016500000000, -0.0150683300000000, 0.0044830900000000 ] - [ -0.0004299900000000, 0.0000774400000000, -0.0003415200000000 ] - [ -0.0003396400000000, 0.0000000000000000, -0.0000708400000000 ] - [ -0.0004299900000000, -0.0000774400000000, -0.0003415200000000 ] - [ -0.0016652500000000, 0.0000000000000000, -0.0032001100000000 ] - [ 0.0000198200000000, 0.0001334800000000, -0.0006956500000000 ] - [ 0.0000198200000000, -0.0001334800000000, -0.0006956500000000 ] - [ 0.0001865800000000, 0.0000837000000000, 0.0004963600000000 ] - [ -0.0000144000000000, 0.0000000000000000, 0.0000641300000000 ] - [ 0.0001865800000000, -0.0000837000000000, 0.0004963600000000 ] - [ 0.0005861100000000, 0.0000000000000000, -0.0014003900000000 ] - [ 0.0005608900000000, 0.0000131900000000, -0.0001469300000000 ] - [ 0.0005608900000000, -0.0000131900000000, -0.0001469300000000 ] - [ -0.0001538300000000, 0.0000244900000000, 0.0002019700000000 ] - [ -0.0002112000000000, 0.0000000000000000, 0.0001194600000000 ] - [ -0.0001538300000000, -0.0000244900000000, 0.0002019700000000 ] - [ 0.0034667000000000, 0.0000000000000000, 0.0042915900000000 ] - [ 0.0006215800000000, -0.0000188300000000, 0.0005696900000000 ] - [ 0.0006215800000000, 0.0000188300000000, 0.0005696900000000 ] - [ -0.0014283400000000, 0.0000235900000000, -0.0008360900000000 ] - [ -0.0011388100000000, 0.0000000000000000, -0.0001197700000000 ] - [ -0.0014283400000000, -0.0000235900000000, -0.0008360900000000 ] - [ -0.0339155200000000, 0.0000000000000000, -0.0158359100000000 ] - [ 0.0006610300000000, 0.0003996300000000, 0.0001543400000000 ] - [ 0.0006610300000000, -0.0003996300000000, 0.0001543400000000 ] - [ 0.0002473100000000, 0.0018925400000000, -0.0005930900000000 ] - [ 0.0008620800000000, 0.0000000000000000, -0.0008415000000000 ] - [ 0.0002473100000000, -0.0018925400000000, -0.0005930900000000 ] - [ 0.0001660400000000, 0.0000000000000000, 0.0005656800000000 ] - [ 0.0004956200000000, 0.0002019200000000, 0.0005779300000000 ] - [ 0.0004956200000000, -0.0002019200000000, 0.0005779300000000 ] - [ 0.0005641200000000, 0.0000555000000000, 0.0002493400000000 ] - [ 0.0004100400000000, 0.0000000000000000, 0.0001268700000000 ] - [ 0.0005641200000000, -0.0000555000000000, 0.0002493400000000 ] - [ -0.0007446100000000, 0.0000000000000000, -0.0002116600000000 ] - [ -0.0006877700000000, 0.0001772100000000, -0.0000522200000000 ] - [ -0.0006877700000000, -0.0001772100000000, -0.0000522200000000 ] - [ 0.0015427300000000, 0.0003454400000000, -0.0002263100000000 ] - [ 0.0015754900000000, 0.0000000000000000, -0.0001892600000000 ] - [ 0.0015427300000000, -0.0003454400000000, -0.0002263100000000 ] - [ -0.0020096600000000, 0.0000000000000000, 0.0012597900000000 ] - [ -0.0009779800000000, 0.0003303800000000, 0.0007030800000000 ] - [ -0.0009779800000000, -0.0003303800000000, 0.0007030800000000 ]- atom: 70 displacement: [ 0.0099999983408567, 0.0000000000000000, 0.0000057604567923 ] forces: - [ 0.0029686500000000, 0.0012904600000000, 0.0037511300000000 ] - [ 0.0029686500000000, -0.0012904600000000, 0.0037511300000000 ] - [ 0.0010221200000000, 0.0000000000000000, 0.0009710500000000 ] - [ 0.0698715900000000, 0.0000000000000000, -0.0266644300000000 ] - [ 0.0040979600000000, 0.0046098500000000, 0.0009532000000000 ] - [ 0.0040979600000000, -0.0046098500000000, 0.0009532000000000 ] - [ 0.0024615200000000, -0.0065659000000000, -0.0054601500000000 ] - [ 0.0024615200000000, 0.0065659000000000, -0.0054601500000000 ] - [ 0.0009151900000000, 0.0000000000000000, -0.0010910700000000 ] - [ 0.0278196800000000, 0.0000000000000000, 0.0429582100000000 ] - [ 0.0012648600000000, -0.0020315700000000, -0.0002001200000000 ] - [ 0.0012648600000000, 0.0020315700000000, -0.0002001200000000 ] - [ -0.0063870300000000, -0.0077385700000000, 0.0026561300000000 ] - [ -0.0063870300000000, 0.0077385700000000, 0.0026561300000000 ] - [ -0.0029491000000000, 0.0000000000000000, 0.0004857200000000 ] - [ 0.0092036500000000, 0.0000000000000000, 0.0189510900000000 ] - [ 0.0023874000000000, 0.0004190500000000, 0.0023642400000000 ] - [ 0.0023874000000000, -0.0004190500000000, 0.0023642400000000 ] - [ -0.0031026200000000, 0.0000000000000000, -0.0042255800000000 ] - [ -0.0005584400000000, -0.0005854200000000, -0.0006356500000000 ] - [ -0.0005584400000000, 0.0005854200000000, -0.0006356500000000 ] - [ -0.0034379800000000, 0.0014258700000000, -0.0003766500000000 ] - [ -0.0034379800000000, -0.0014258700000000, -0.0003766500000000 ] - [ -0.0016904900000000, 0.0000000000000000, -0.0004671600000000 ] - [ -0.0027522800000000, 0.0000000000000000, 0.0019409000000000 ] - [ 0.0007137800000000, -0.0008195100000000, 0.0007089900000000 ] - [ 0.0007137800000000, 0.0008195100000000, 0.0007089900000000 ] - [ -0.0024360200000000, 0.0005442500000000, -0.0002137400000000 ] - [ -0.0024360200000000, -0.0005442500000000, -0.0002137400000000 ] - [ -0.0018195600000000, 0.0000000000000000, -0.0003167000000000 ] - [ -0.0221510300000000, 0.0000000000000000, 0.0021074600000000 ] - [ -0.0011980900000000, -0.0028776600000000, -0.0005681100000000 ] - [ -0.0011980900000000, 0.0028776600000000, -0.0005681100000000 ] - [ -0.0033186100000000, 0.0005936300000000, -0.0001182600000000 ] - [ -0.0033186100000000, -0.0005936300000000, -0.0001182600000000 ] - [ -0.0023264500000000, 0.0000000000000000, 0.0002637600000000 ] - [ -0.0211051600000000, 0.0000000000000000, -0.0318849700000000 ] - [ 0.0016121100000000, -0.0005448000000000, 0.0011877100000000 ] - [ 0.0016121100000000, 0.0005448000000000, 0.0011877100000000 ] - [ -0.0015018300000000, -0.0000120500000000, -0.0009326900000000 ] - [ -0.0015018300000000, 0.0000120500000000, -0.0009326900000000 ] - [ -0.0008942300000000, 0.0000000000000000, -0.0004804000000000 ] - [ -0.0005144700000000, -0.0000395100000000, 0.0013538000000000 ] - [ -0.0005144700000000, 0.0000395100000000, 0.0013538000000000 ] - [ -0.0002889800000000, 0.0000000000000000, 0.0006239400000000 ] - [ -0.0012270600000000, -0.0000347000000000, -0.0009185300000000 ] - [ -0.0012270600000000, 0.0000347000000000, -0.0009185300000000 ] - [ -0.0008706300000000, 0.0000000000000000, -0.0006919000000000 ] - [ -0.0014369500000000, -0.0000549300000000, -0.0011780500000000 ] - [ -0.0014369500000000, 0.0000549300000000, -0.0011780500000000 ] - [ -0.0007162200000000, 0.0000000000000000, -0.0005012100000000 ] - [ -0.0016735200000000, 0.0000000000000000, 0.0019871800000000 ] - [ 0.0007544400000000, -0.0002803400000000, 0.0008384900000000 ] - [ 0.0007544400000000, 0.0002803400000000, 0.0008384900000000 ] - [ 0.0072986500000000, 0.0000000000000000, -0.0096560700000000 ] - [ 0.0005529100000000, -0.0001982000000000, -0.0013974600000000 ] - [ 0.0005529100000000, 0.0001982000000000, -0.0013974600000000 ] - [ 0.0010982000000000, 0.0000000000000000, 0.0003077300000000 ] - [ 0.0006102700000000, -0.0000809800000000, 0.0003160000000000 ] - [ 0.0006102700000000, 0.0000809800000000, 0.0003160000000000 ] - [ -0.0011812000000000, 0.0004974800000000, -0.0041314300000000 ] - [ -0.0011812000000000, -0.0004974800000000, -0.0041314300000000 ] - [ -0.0004805700000000, 0.0000000000000000, -0.0011384900000000 ] - [ -0.0085596300000000, 0.0000000000000000, -0.0291604900000000 ] - [ -0.0012256400000000, -0.0002377800000000, -0.0027796300000000 ] - [ -0.0012256400000000, 0.0002377800000000, -0.0027796300000000 ] - [ -0.0004812900000000, 0.0005173800000000, 0.0023348800000000 ] - [ -0.0004812900000000, -0.0005173800000000, 0.0023348800000000 ] - [ 0.0003274200000000, 0.0000000000000000, 0.0007425400000000 ] - [ -0.1523209200000000, 0.0000000000000000, -0.0143842200000000 ] - [ -0.0026074800000000, 0.0004775300000000, 0.0004806800000000 ] - [ -0.0026074800000000, -0.0004775300000000, 0.0004806800000000 ] - [ 0.0015906300000000, 0.0008612100000000, 0.0017411100000000 ] - [ 0.0015906300000000, -0.0008612100000000, 0.0017411100000000 ] - [ 0.0009667900000000, 0.0000000000000000, 0.0008900500000000 ] - [ -0.0010642700000000, 0.0000000000000000, -0.0136698700000000 ] - [ -0.0012418400000000, 0.0002857800000000, -0.0010917900000000 ] - [ -0.0012418400000000, -0.0002857800000000, -0.0010917900000000 ] - [ 0.0028074700000000, 0.0004987400000000, -0.0001926300000000 ] - [ 0.0028074700000000, -0.0004987400000000, -0.0001926300000000 ] - [ 0.0010583100000000, 0.0000000000000000, -0.0000208600000000 ] - [ -0.0078020600000000, 0.0000000000000000, 0.0048912100000000 ] - [ -0.0019336000000000, 0.0001456600000000, 0.0003945100000000 ] - [ -0.0019336000000000, -0.0001456600000000, 0.0003945100000000 ] - [ -0.0001578600000000, 0.0006430800000000, -0.0023854600000000 ] - [ -0.0001578600000000, -0.0006430800000000, -0.0023854600000000 ] - [ 0.0003703500000000, 0.0000000000000000, -0.0012685500000000 ] - [ 0.0181409900000000, 0.0000000000000000, 0.0000318300000000 ] - [ 0.0004990700000000, -0.0028538200000000, 0.0003905500000000 ] - [ 0.0004990700000000, 0.0028538200000000, 0.0003905500000000 ] - [ -0.0038116200000000, -0.0031093400000000, -0.0002655700000000 ] - [ -0.0038116200000000, 0.0031093400000000, -0.0002655700000000 ] - [ -0.0005038500000000, 0.0000000000000000, 0.0000026300000000 ] - [ 0.0162898600000000, 0.0000000000000000, 0.0147672400000000 ] - [ -0.0019421000000000, -0.0018482400000000, 0.0005534000000000 ] - [ -0.0019421000000000, 0.0018482400000000, 0.0005534000000000 ] - [ 0.0067778200000000, 0.0119271500000000, 0.0005358500000000 ] - [ 0.0067778200000000, -0.0119271500000000, 0.0005358500000000 ] - [ 0.0017398300000000, 0.0000000000000000, 0.0002775400000000 ] - [ -0.0035705200000000, 0.0000000000000000, -0.0063528700000000 ] - [ -0.0016472000000000, -0.0000730600000000, 0.0000551700000000 ] - [ -0.0016472000000000, 0.0000730600000000, 0.0000551700000000 ] - [ 0.0038123900000000, 0.0000000000000000, 0.0064098000000000 ] - [ 0.0000263000000000, 0.0002937800000000, 0.0011580300000000 ] - [ 0.0000263000000000, -0.0002937800000000, 0.0011580300000000 ] - [ 0.0010244600000000, -0.0001753800000000, 0.0008808400000000 ] - [ 0.0010244600000000, 0.0001753800000000, 0.0008808400000000 ] - [ 0.0005730400000000, 0.0000000000000000, 0.0002553800000000 ] - [ -0.0002076300000000, 0.0000000000000000, -0.0004948800000000 ] - [ -0.0002488300000000, 0.0001283600000000, -0.0004674800000000 ] - [ -0.0002488300000000, -0.0001283600000000, -0.0004674800000000 ] - [ 0.0021655300000000, -0.0001386800000000, 0.0001367800000000 ] - [ 0.0021655300000000, 0.0001386800000000, 0.0001367800000000 ] - [ 0.0012630800000000, 0.0000000000000000, 0.0001798900000000 ] - [ 0.0039690100000000, 0.0000000000000000, -0.0021377100000000 ] - [ -0.0001443100000000, 0.0004383600000000, -0.0004676000000000 ] - [ -0.0001443100000000, -0.0004383600000000, -0.0004676000000000 ] - [ 0.0015903000000000, -0.0000641900000000, 0.0003696800000000 ] - [ 0.0015903000000000, 0.0000641900000000, 0.0003696800000000 ] - [ 0.0009568900000000, 0.0000000000000000, 0.0001564000000000 ] - [ 0.0534599400000000, 0.0000000000000000, 0.0478392300000000 ] - [ -0.0019123500000000, 0.0006836100000000, 0.0004180800000000 ] - [ -0.0019123500000000, -0.0006836100000000, 0.0004180800000000 ] - [ 0.0025367600000000, 0.0000128900000000, -0.0005779800000000 ] - [ 0.0025367600000000, -0.0000128900000000, -0.0005779800000000 ] - [ 0.0017282500000000, 0.0000000000000000, -0.0003038600000000 ] - [ 0.0026620300000000, 0.0000000000000000, -0.0008399300000000 ] - [ 0.0016260800000000, 0.0002134500000000, -0.0008778600000000 ] - [ 0.0016260800000000, -0.0002134500000000, -0.0008778600000000 ] - [ 0.0027357900000000, -0.0041719600000000, 0.0004077800000000 ] - [ 0.0027357900000000, 0.0041719600000000, 0.0004077800000000 ] - [ 0.0011592600000000, 0.0000000000000000, 0.0005284600000000 ] - [ 0.0015497700000000, 0.0000000000000000, 0.0003290500000000 ] - [ 0.0006904400000000, 0.0002744200000000, 0.0001045600000000 ] - [ 0.0006904400000000, -0.0002744200000000, 0.0001045600000000 ] - [ 0.0000107800000000, -0.0011428600000000, -0.0001808800000000 ] - [ 0.0000107800000000, 0.0011428600000000, -0.0001808800000000 ] - [ -0.0003549500000000, 0.0000000000000000, -0.0000634800000000 ] - [ 0.0050171500000000, 0.0000000000000000, -0.0010418800000000 ] - [ 0.0020424700000000, 0.0006637900000000, -0.0003350300000000 ] - [ 0.0020424700000000, -0.0006637900000000, -0.0003350300000000 ] - [ -0.0002617200000000, -0.0008821300000000, 0.0008099400000000 ] - [ -0.0002617200000000, 0.0008821300000000, 0.0008099400000000 ] - [ -0.0005373200000000, 0.0000000000000000, 0.0006606800000000 ]- atom: 70 displacement: [ -0.0099999983408567, 0.0000000000000000, -0.0000057604567923 ] forces: - [ -0.0026374900000000, -0.0013630500000000, -0.0036647500000000 ] - [ -0.0026374900000000, 0.0013630500000000, -0.0036647500000000 ] - [ -0.0006697900000000, 0.0000000000000000, -0.0008053500000000 ] - [ -0.0746071100000000, 0.0000000000000000, 0.0289483300000000 ] - [ -0.0044627400000000, -0.0046506100000000, -0.0012012400000000 ] - [ -0.0044627400000000, 0.0046506100000000, -0.0012012400000000 ] - [ -0.0004905100000000, 0.0065956400000000, 0.0056068500000000 ] - [ -0.0004905100000000, -0.0065956400000000, 0.0056068500000000 ] - [ 0.0011383700000000, 0.0000000000000000, 0.0011856700000000 ] - [ -0.0287652800000000, 0.0000000000000000, -0.0433493900000000 ] - [ -0.0025179100000000, 0.0021204500000000, -0.0002447500000000 ] - [ -0.0025179100000000, -0.0021204500000000, -0.0002447500000000 ] - [ 0.0035714900000000, 0.0078235500000000, -0.0029525900000000 ] - [ 0.0035714900000000, -0.0078235500000000, -0.0029525900000000 ] - [ 0.0001009100000000, 0.0000000000000000, -0.0007554300000000 ] - [ -0.0099129100000000, 0.0000000000000000, -0.0180988700000000 ] - [ -0.0030883400000000, -0.0004254600000000, -0.0012404600000000 ] - [ -0.0030883400000000, 0.0004254600000000, -0.0012404600000000 ] - [ 0.0034525500000000, 0.0000000000000000, 0.0043802200000000 ] - [ 0.0009309100000000, 0.0005800500000000, 0.0008271000000000 ] - [ 0.0009309100000000, -0.0005800500000000, 0.0008271000000000 ] - [ 0.0031155800000000, -0.0014131800000000, 0.0001293100000000 ] - [ 0.0031155800000000, 0.0014131800000000, 0.0001293100000000 ] - [ 0.0013721400000000, 0.0000000000000000, 0.0002177700000000 ] - [ 0.0048293500000000, 0.0000000000000000, -0.0018567800000000 ] - [ 0.0013678900000000, 0.0008149000000000, -0.0006276700000000 ] - [ 0.0013678900000000, -0.0008149000000000, -0.0006276700000000 ] - [ 0.0011555500000000, -0.0005394300000000, -0.0002371800000000 ] - [ 0.0011555500000000, 0.0005394300000000, -0.0002371800000000 ] - [ 0.0005386000000000, 0.0000000000000000, -0.0001362900000000 ] - [ 0.0191846800000000, 0.0000000000000000, -0.0023385100000000 ] - [ -0.0016275500000000, 0.0028622600000000, 0.0003127000000000 ] - [ -0.0016275500000000, -0.0028622600000000, 0.0003127000000000 ] - [ 0.0025996600000000, -0.0005875700000000, 0.0012664500000000 ] - [ 0.0025996600000000, 0.0005875700000000, 0.0012664500000000 ] - [ 0.0016087300000000, 0.0000000000000000, 0.0008881400000000 ] - [ 0.0221637200000000, 0.0000000000000000, 0.0326945900000000 ] - [ -0.0009565100000000, 0.0005471700000000, -0.0005234600000000 ] - [ -0.0009565100000000, -0.0005471700000000, -0.0005234600000000 ] - [ 0.0015196500000000, 0.0000128000000000, 0.0012656600000000 ] - [ 0.0015196500000000, -0.0000128000000000, 0.0012656600000000 ] - [ 0.0009120400000000, 0.0000000000000000, 0.0008137500000000 ] - [ 0.0006376400000000, 0.0000400100000000, -0.0018084500000000 ] - [ 0.0006376400000000, -0.0000400100000000, -0.0018084500000000 ] - [ 0.0004111900000000, 0.0000000000000000, -0.0010734700000000 ] - [ 0.0009940000000000, 0.0000348800000000, 0.0005564000000000 ] - [ 0.0009940000000000, -0.0000348800000000, 0.0005564000000000 ] - [ 0.0006417300000000, 0.0000000000000000, 0.0003336200000000 ] - [ 0.0020836800000000, 0.0000559800000000, 0.0018368100000000 ] - [ 0.0020836800000000, -0.0000559800000000, 0.0018368100000000 ] - [ 0.0013600700000000, 0.0000000000000000, 0.0011563900000000 ] - [ 0.0017187000000000, 0.0000000000000000, -0.0016132200000000 ] - [ -0.0007249500000000, 0.0002808400000000, -0.0004966900000000 ] - [ -0.0007249500000000, -0.0002808400000000, -0.0004966900000000 ] - [ -0.0071376600000000, 0.0000000000000000, 0.0092325500000000 ] - [ -0.0004287400000000, 0.0001977800000000, 0.0009451000000000 ] - [ -0.0004287400000000, -0.0001977800000000, 0.0009451000000000 ] - [ -0.0013176000000000, 0.0000000000000000, -0.0006664800000000 ] - [ -0.0008285600000000, 0.0000806200000000, -0.0006672900000000 ] - [ -0.0008285600000000, -0.0000806200000000, -0.0006672900000000 ] - [ 0.0006963900000000, -0.0004974000000000, 0.0043910700000000 ] - [ 0.0006963900000000, 0.0004974000000000, 0.0043910700000000 ] - [ -0.0000169500000000, 0.0000000000000000, 0.0013605200000000 ] - [ 0.0088059100000000, 0.0000000000000000, 0.0285159300000000 ] - [ 0.0012385000000000, 0.0002391400000000, 0.0016905700000000 ] - [ 0.0012385000000000, -0.0002391400000000, 0.0016905700000000 ] - [ 0.0006490600000000, -0.0005190600000000, -0.0023630600000000 ] - [ 0.0006490600000000, 0.0005190600000000, -0.0023630600000000 ] - [ -0.0001774500000000, 0.0000000000000000, -0.0007687300000000 ] - [ 0.1558963200000000, 0.0000000000000000, 0.0102302500000000 ] - [ 0.0029809300000000, -0.0004885600000000, -0.0006840600000000 ] - [ 0.0029809300000000, 0.0004885600000000, -0.0006840600000000 ] - [ -0.0013532100000000, -0.0008685500000000, -0.0013067300000000 ] - [ -0.0013532100000000, 0.0008685500000000, -0.0013067300000000 ] - [ -0.0007392900000000, 0.0000000000000000, -0.0004442600000000 ] - [ 0.0006560100000000, 0.0000000000000000, 0.0134851400000000 ] - [ 0.0009425200000000, -0.0002891200000000, 0.0008686200000000 ] - [ 0.0009425200000000, 0.0002891200000000, 0.0008686200000000 ] - [ -0.0040415300000000, -0.0005043400000000, 0.0004830100000000 ] - [ -0.0040415300000000, 0.0005043400000000, 0.0004830100000000 ] - [ -0.0022816200000000, 0.0000000000000000, 0.0003091600000000 ] - [ 0.0079656700000000, 0.0000000000000000, -0.0049214000000000 ] - [ 0.0020899100000000, -0.0001444900000000, -0.0004507400000000 ] - [ 0.0020899100000000, 0.0001444900000000, -0.0004507400000000 ] - [ 0.0020575000000000, -0.0006546400000000, 0.0005660300000000 ] - [ 0.0020575000000000, 0.0006546400000000, 0.0005660300000000 ] - [ 0.0015379900000000, 0.0000000000000000, -0.0005734900000000 ] - [ -0.0172957000000000, 0.0000000000000000, 0.0011898000000000 ] - [ 0.0006016800000000, 0.0028766200000000, 0.0008370300000000 ] - [ 0.0006016800000000, -0.0028766200000000, 0.0008370300000000 ] - [ 0.0045495600000000, 0.0033006100000000, 0.0004538400000000 ] - [ 0.0045495600000000, -0.0033006100000000, 0.0004538400000000 ] - [ 0.0011708900000000, 0.0000000000000000, 0.0001004800000000 ] - [ -0.0181601900000000, 0.0000000000000000, -0.0151856900000000 ] - [ 0.0003910500000000, 0.0018460600000000, -0.0006858000000000 ] - [ 0.0003910500000000, -0.0018460600000000, -0.0006858000000000 ] - [ -0.0035421900000000, -0.0121075500000000, -0.0008857400000000 ] - [ -0.0035421900000000, 0.0121075500000000, -0.0008857400000000 ] - [ 0.0015318500000000, 0.0000000000000000, -0.0006087600000000 ] - [ 0.0015794900000000, 0.0000000000000000, 0.0075876500000000 ] - [ -0.0004412700000000, 0.0000559500000000, 0.0009559700000000 ] - [ -0.0004412700000000, -0.0000559500000000, 0.0009559700000000 ] - [ -0.0042866800000000, 0.0000000000000000, -0.0061743100000000 ] - [ -0.0005396200000000, -0.0002916900000000, -0.0009821100000000 ] - [ -0.0005396200000000, 0.0002916900000000, -0.0009821100000000 ] - [ -0.0010159300000000, 0.0001736000000000, -0.0019774000000000 ] - [ -0.0010159300000000, -0.0001736000000000, -0.0019774000000000 ] - [ -0.0005634800000000, 0.0000000000000000, -0.0013484800000000 ] - [ 0.0003452500000000, 0.0000000000000000, 0.0004737400000000 ] - [ 0.0003795000000000, -0.0001277200000000, 0.0004460400000000 ] - [ 0.0003795000000000, 0.0001277200000000, 0.0004460400000000 ] - [ -0.0018053500000000, 0.0001367200000000, -0.0003170200000000 ] - [ -0.0018053500000000, -0.0001367200000000, -0.0003170200000000 ] - [ -0.0008976000000000, 0.0000000000000000, -0.0003577300000000 ] - [ -0.0037607000000000, 0.0000000000000000, 0.0025583500000000 ] - [ 0.0003547300000000, -0.0004375700000000, 0.0009132300000000 ] - [ 0.0003547300000000, 0.0004375700000000, 0.0009132300000000 ] - [ -0.0018692300000000, 0.0000624000000000, -0.0006070100000000 ] - [ -0.0018692300000000, -0.0000624000000000, -0.0006070100000000 ] - [ -0.0012341500000000, 0.0000000000000000, -0.0003934900000000 ] - [ -0.0539168900000000, 0.0000000000000000, -0.0467250500000000 ] - [ 0.0006731800000000, -0.0006835300000000, -0.0001330700000000 ] - [ 0.0006731800000000, 0.0006835300000000, -0.0001330700000000 ] - [ -0.0023605600000000, -0.0000140600000000, 0.0005254600000000 ] - [ -0.0023605600000000, 0.0000140600000000, 0.0005254600000000 ] - [ -0.0015563100000000, 0.0000000000000000, 0.0002472600000000 ] - [ -0.0007420300000000, 0.0000000000000000, -0.0010092700000000 ] - [ 0.0002890900000000, -0.0002083800000000, -0.0009719900000000 ] - [ 0.0002890900000000, 0.0002083800000000, -0.0009719900000000 ] - [ -0.0016357500000000, 0.0041426300000000, 0.0008151100000000 ] - [ -0.0016357500000000, -0.0041426300000000, 0.0008151100000000 ] - [ -0.0000647500000000, 0.0000000000000000, 0.0006960300000000 ] - [ -0.0008997100000000, 0.0000000000000000, -0.0002305800000000 ] - [ -0.0000424600000000, -0.0002713900000000, -0.0000078800000000 ] - [ -0.0000424600000000, 0.0002713900000000, -0.0000078800000000 ] - [ -0.0015815700000000, 0.0011353600000000, 0.0000618800000000 ] - [ -0.0015815700000000, -0.0011353600000000, 0.0000618800000000 ] - [ -0.0012145600000000, 0.0000000000000000, -0.0000543500000000 ] - [ -0.0017223900000000, 0.0000000000000000, 0.0007170600000000 ] - [ 0.0012250000000000, -0.0006611700000000, 0.0000109700000000 ] - [ 0.0012250000000000, 0.0006611700000000, 0.0000109700000000 ] - [ -0.0018208800000000, 0.0008789800000000, 0.0001870600000000 ] - [ -0.0018208800000000, -0.0008789800000000, 0.0001870600000000 ] - [ -0.0015450200000000, 0.0000000000000000, 0.0003366700000000 ]- atom: 70 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0002941500000000, 0.0007881200000000, -0.0018793800000000 ] - [ 0.0000734500000000, 0.0008453300000000, 0.0020895800000000 ] - [ 0.0001832200000000, -0.0014524000000000, 0.0000942800000000 ] - [ 0.0001556900000000, 0.0122741500000000, -0.0003194200000000 ] - [ 0.0012628700000000, -0.0035031400000000, -0.0009303400000000 ] - [ -0.0015655500000000, -0.0034798900000000, 0.0006720800000000 ] - [ -0.0019862200000000, 0.0006827600000000, -0.0012878600000000 ] - [ 0.0040789700000000, 0.0007051700000000, 0.0013830000000000 ] - [ 0.0010392100000000, -0.0015744600000000, 0.0000423700000000 ] - [ -0.0005912300000000, 0.0133571800000000, 0.0002599000000000 ] - [ -0.0007275800000000, -0.0040452300000000, 0.0012830700000000 ] - [ -0.0005523500000000, -0.0040267500000000, -0.0017232600000000 ] - [ -0.0035396400000000, 0.0009285500000000, 0.0003975300000000 ] - [ 0.0007229700000000, 0.0009845100000000, -0.0006637100000000 ] - [ -0.0014189400000000, -0.0016708200000000, -0.0001304100000000 ] - [ -0.0003509600000000, 0.0014738900000000, 0.0005726900000000 ] - [ -0.0003423200000000, -0.0006399000000000, 0.0004716000000000 ] - [ -0.0003660800000000, -0.0006464800000000, 0.0006808100000000 ] - [ 0.0001850200000000, 0.0002216000000000, 0.0000982100000000 ] - [ 0.0000077200000000, -0.0001116400000000, -0.0000147900000000 ] - [ 0.0003582100000000, -0.0001133300000000, 0.0002049500000000 ] - [ -0.0001800800000000, 0.0001285600000000, -0.0001630700000000 ] - [ -0.0001338200000000, 0.0001315900000000, -0.0000853200000000 ] - [ -0.0001585700000000, -0.0002522900000000, -0.0001245100000000 ] - [ 0.0010373200000000, 0.0003177000000000, 0.0000415400000000 ] - [ 0.0006247100000000, -0.0001520100000000, 0.0000924200000000 ] - [ 0.0014421400000000, -0.0001530900000000, -0.0000131400000000 ] - [ -0.0007916100000000, 0.0001067700000000, -0.0002754500000000 ] - [ -0.0004856200000000, 0.0001087300000000, -0.0001786300000000 ] - [ -0.0006381900000000, -0.0002138700000000, -0.0002264800000000 ] - [ -0.0013923000000000, 0.0008115100000000, -0.0001407600000000 ] - [ -0.0023920900000000, -0.0003856600000000, -0.0002502000000000 ] - [ -0.0004607300000000, -0.0003918800000000, -0.0000083100000000 ] - [ -0.0007078300000000, 0.0001230800000000, 0.0005689200000000 ] - [ 0.0000000300000000, 0.0001257000000000, 0.0005836500000000 ] - [ -0.0003537400000000, -0.0002509800000000, 0.0005763700000000 ] - [ 0.0003841900000000, 0.0145255900000000, 0.0003805400000000 ] - [ -0.0001044200000000, -0.0005434100000000, -0.0000620500000000 ] - [ 0.0007440700000000, -0.0005378900000000, 0.0007130400000000 ] - [ -0.0002202900000000, 0.0000400900000000, -0.0000594600000000 ] - [ 0.0002415000000000, 0.0000401800000000, 0.0003959100000000 ] - [ 0.0000114300000000, -0.0000227500000000, 0.0001685000000000 ] - [ 0.0000141500000000, 0.0000219800000000, -0.0000643400000000 ] - [ 0.0001078700000000, 0.0000222300000000, -0.0003851400000000 ] - [ 0.0000615000000000, -0.0000298600000000, -0.0002257800000000 ] - [ -0.0004387100000000, 0.0000241800000000, -0.0004490000000000 ] - [ 0.0002162400000000, 0.0000244800000000, 0.0000961900000000 ] - [ -0.0001109300000000, -0.0000365100000000, -0.0001764000000000 ] - [ 0.0001577000000000, 0.0000368700000000, 0.0001230100000000 ] - [ 0.0004880500000000, 0.0000371200000000, 0.0005344400000000 ] - [ 0.0003235000000000, -0.0000256100000000, 0.0003287100000000 ] - [ 0.0000132400000000, 0.0008283600000000, 0.0001724000000000 ] - [ -0.0002852800000000, -0.0001589200000000, 0.0000864100000000 ] - [ 0.0003010700000000, -0.0001579700000000, 0.0002468600000000 ] - [ 0.0000453500000000, 0.0000756300000000, -0.0002131600000000 ] - [ 0.0000570400000000, -0.0001047700000000, -0.0003965300000000 ] - [ 0.0000647800000000, -0.0001045900000000, -0.0000539900000000 ] - [ -0.0001112700000000, -0.0000147100000000, -0.0001753300000000 ] - [ -0.0002750500000000, -0.0000151900000000, -0.0002632300000000 ] - [ 0.0000484800000000, -0.0000155900000000, -0.0000926100000000 ] - [ 0.0000234700000000, -0.0000850700000000, 0.0004135100000000 ] - [ -0.0005365400000000, -0.0000928700000000, -0.0002385500000000 ] - [ -0.0002536700000000, 0.0002435800000000, 0.0000985400000000 ] - [ 0.0000120500000000, -0.0030195600000000, -0.0005474500000000 ] - [ 0.0000438200000000, 0.0003771000000000, 0.0002632000000000 ] - [ -0.0000386000000000, 0.0003761500000000, -0.0013617200000000 ] - [ 0.0007016500000000, -0.0001016800000000, 0.0009083600000000 ] - [ -0.0005683700000000, -0.0001054100000000, -0.0009389200000000 ] - [ 0.0000701600000000, 0.0002061100000000, -0.0000147400000000 ] - [ -0.0000874400000000, -0.0351244300000000, -0.0003120300000000 ] - [ -0.0003075600000000, 0.0014125200000000, -0.0003146800000000 ] - [ 0.0006583800000000, 0.0014012800000000, 0.0001355500000000 ] - [ 0.0008885300000000, -0.0000770800000000, 0.0004450800000000 ] - [ -0.0006749000000000, -0.0000804700000000, 0.0000057000000000 ] - [ 0.0001072700000000, 0.0002054600000000, 0.0002246900000000 ] - [ -0.0001564100000000, -0.0019230800000000, -0.0001150700000000 ] - [ 0.0003128000000000, 0.0003576100000000, -0.0007082200000000 ] - [ -0.0005884100000000, 0.0003567600000000, 0.0004629300000000 ] - [ 0.0000239600000000, -0.0000331300000000, 0.0002229300000000 ] - [ -0.0012536100000000, -0.0000360400000000, 0.0000617500000000 ] - [ -0.0006149600000000, 0.0001078200000000, 0.0001438000000000 ] - [ 0.0000849600000000, -0.0002100400000000, -0.0000375500000000 ] - [ 0.0002435200000000, 0.0000842400000000, 0.0000885700000000 ] - [ -0.0000758800000000, 0.0000846000000000, -0.0001463800000000 ] - [ 0.0006524600000000, -0.0007929300000000, -0.0008546100000000 ] - [ 0.0012589900000000, -0.0008127500000000, -0.0009934600000000 ] - [ 0.0009548200000000, 0.0012365600000000, -0.0009242100000000 ] - [ 0.0006084600000000, -0.0004533700000000, 0.0006123600000000 ] - [ -0.0001825500000000, 0.0012991000000000, 0.0007883700000000 ] - [ 0.0012690100000000, 0.0013067300000000, 0.0004399300000000 ] - [ 0.0037979800000000, 0.0034622800000000, 0.0075306000000000 ] - [ -0.0031978400000000, 0.0035052900000000, -0.0075438800000000 ] - [ 0.0003220100000000, 0.0020293400000000, 0.0000482700000000 ] - [ -0.0007508300000000, -0.0046776000000000, -0.0000406800000000 ] - [ -0.0012319200000000, 0.0009767200000000, -0.0002532400000000 ] - [ -0.0003404300000000, 0.0009843900000000, 0.0001336400000000 ] - [ 0.0087774600000000, 0.0028202100000000, -0.0012592200000000 ] - [ -0.0056246800000000, 0.0028679900000000, 0.0009515500000000 ] - [ 0.0016319700000000, 0.0016999900000000, -0.0001620800000000 ] - [ -0.0010200300000000, -0.0002820800000000, 0.0005547400000000 ] - [ -0.0012061700000000, 0.0010733800000000, -0.0001269500000000 ] - [ -0.0008837300000000, 0.0010731800000000, 0.0011144200000000 ] - [ -0.0002594000000000, 0.0000015100000000, 0.0000884800000000 ] - [ -0.0001225900000000, 0.0000346600000000, 0.0002807400000000 ] - [ -0.0003879200000000, 0.0000352400000000, -0.0001036400000000 ] - [ 0.0000483700000000, -0.0000236500000000, -0.0005208500000000 ] - [ -0.0000440700000000, -0.0000241800000000, -0.0005814600000000 ] - [ 0.0000035200000000, 0.0000488300000000, -0.0005484400000000 ] - [ 0.0000709400000000, -0.0000509900000000, -0.0000166000000000 ] - [ 0.0002154500000000, 0.0000275100000000, 0.0000342200000000 ] - [ -0.0000772700000000, 0.0000280300000000, -0.0000541400000000 ] - [ 0.0003157500000000, -0.0000281300000000, 0.0000317400000000 ] - [ 0.0000414400000000, -0.0000285100000000, -0.0002093100000000 ] - [ 0.0001809800000000, 0.0000496700000000, -0.0000894400000000 ] - [ 0.0001071200000000, -0.0004903200000000, 0.0002255100000000 ] - [ 0.0006063100000000, 0.0001557600000000, 0.0002504700000000 ] - [ -0.0003798400000000, 0.0001554800000000, 0.0002015300000000 ] - [ 0.0000788000000000, -0.0000261000000000, -0.0000150800000000 ] - [ -0.0003641400000000, -0.0000258700000000, -0.0002246000000000 ] - [ -0.0001415400000000, 0.0000522800000000, -0.0001201400000000 ] - [ -0.0007361800000000, -0.0071129700000000, 0.0000447300000000 ] - [ 0.0001149300000000, 0.0003625500000000, 0.0003842100000000 ] - [ -0.0013305200000000, 0.0003602700000000, -0.0000954900000000 ] - [ 0.0005196100000000, -0.0000279000000000, 0.0000150000000000 ] - [ -0.0003569400000000, -0.0000273700000000, -0.0000747700000000 ] - [ 0.0000802900000000, 0.0000516400000000, -0.0000289400000000 ] - [ 0.0009543500000000, -0.0002799100000000, -0.0009249300000000 ] - [ 0.0009922100000000, 0.0001396600000000, -0.0009258700000000 ] - [ 0.0009226700000000, 0.0001400300000000, -0.0009245000000000 ] - [ 0.0004109400000000, -0.0002962300000000, 0.0005636700000000 ] - [ 0.0006830200000000, -0.0003068000000000, 0.0006633400000000 ] - [ 0.0005477500000000, 0.0005460200000000, 0.0006127700000000 ] - [ 0.0003233500000000, -0.0002078500000000, 0.0000471700000000 ] - [ 0.0003969700000000, 0.0001004200000000, 0.0000586900000000 ] - [ 0.0002529100000000, 0.0001026400000000, 0.0000377600000000 ] - [ -0.0007783300000000, -0.0001535100000000, -0.0000365100000000 ] - [ -0.0007910600000000, -0.0001544800000000, -0.0000800400000000 ] - [ -0.0007842800000000, 0.0002991600000000, -0.0000585800000000 ] - [ 0.0016310300000000, -0.0002348800000000, -0.0001584900000000 ] - [ 0.0017653100000000, 0.0001011000000000, -0.0001619700000000 ] - [ 0.0015044300000000, 0.0001056600000000, -0.0001603800000000 ] - [ -0.0009814400000000, -0.0000932400000000, 0.0005178700000000 ] - [ -0.0011045200000000, -0.0001014200000000, 0.0004767000000000 ] - [ -0.0010420300000000, 0.0001953300000000, 0.0004978500000000 ]- atom: 70 displacement: [ -0.0020604768976038, 0.0000000000000000, 0.0097854195083523 ] forces: - [ -0.0030887800000000, -0.0072715600000000, -0.0106938300000000 ] - [ -0.0030887800000000, 0.0072715600000000, -0.0106938300000000 ] - [ -0.0008658100000000, 0.0000000000000000, -0.0021973800000000 ] - [ -0.0078554700000000, 0.0000000000000000, 0.0291701200000000 ] - [ -0.0031456700000000, -0.0060727600000000, 0.0000966700000000 ] - [ -0.0031456700000000, 0.0060727600000000, 0.0000966700000000 ] - [ -0.0065622900000000, -0.0029615400000000, 0.0088285900000000 ] - [ -0.0065622900000000, 0.0029615400000000, 0.0088285900000000 ] - [ -0.0006165200000000, 0.0000000000000000, 0.0013580500000000 ] - [ 0.0076642100000000, 0.0000000000000000, 0.1008963300000000 ] - [ 0.0015948300000000, 0.0082582100000000, 0.0026796000000000 ] - [ 0.0015948300000000, -0.0082582100000000, 0.0026796000000000 ] - [ 0.0026896300000000, 0.0089367100000000, -0.0040294200000000 ] - [ 0.0026896300000000, -0.0089367100000000, -0.0040294200000000 ] - [ -0.0015187500000000, 0.0000000000000000, -0.0009666800000000 ] - [ -0.0023217700000000, 0.0000000000000000, -0.0411071800000000 ] - [ 0.0004350500000000, 0.0004310800000000, -0.0035299300000000 ] - [ 0.0004350500000000, -0.0004310800000000, -0.0035299300000000 ] - [ -0.0002695000000000, 0.0000000000000000, -0.0023140900000000 ] - [ 0.0004009800000000, -0.0002442800000000, -0.0002498000000000 ] - [ 0.0004009800000000, 0.0002442800000000, -0.0002498000000000 ] - [ -0.0006048700000000, 0.0005817200000000, 0.0001462700000000 ] - [ -0.0006048700000000, -0.0005817200000000, 0.0001462700000000 ] - [ -0.0002991000000000, 0.0000000000000000, -0.0000610100000000 ] - [ 0.0041246300000000, 0.0000000000000000, -0.0005939300000000 ] - [ 0.0017405900000000, 0.0000849000000000, 0.0001637500000000 ] - [ 0.0017405900000000, -0.0000849000000000, 0.0001637500000000 ] - [ -0.0005603200000000, 0.0001276500000000, 0.0001168000000000 ] - [ -0.0005603200000000, -0.0001276500000000, 0.0001168000000000 ] - [ -0.0007226300000000, 0.0000000000000000, -0.0001215500000000 ] - [ -0.0123442200000000, 0.0000000000000000, 0.0052912500000000 ] - [ -0.0012048800000000, -0.0011265700000000, 0.0003309600000000 ] - [ -0.0012048800000000, 0.0011265700000000, 0.0003309600000000 ] - [ -0.0009299100000000, 0.0002811900000000, 0.0002047300000000 ] - [ -0.0009299100000000, -0.0002811900000000, 0.0002047300000000 ] - [ -0.0007792800000000, 0.0000000000000000, 0.0004130700000000 ] - [ -0.0253010100000000, 0.0000000000000000, -0.0041490200000000 ] - [ 0.0008864200000000, -0.0002896100000000, 0.0009867900000000 ] - [ 0.0008864200000000, 0.0002896100000000, 0.0009867900000000 ] - [ -0.0002472600000000, -0.0000246200000000, 0.0000121600000000 ] - [ -0.0002472600000000, 0.0000246200000000, 0.0000121600000000 ] - [ -0.0002270500000000, 0.0000000000000000, -0.0000067300000000 ] - [ 0.0002466000000000, 0.0000503400000000, -0.0011487700000000 ] - [ 0.0002466000000000, -0.0000503400000000, -0.0011487700000000 ] - [ 0.0000676600000000, 0.0000000000000000, -0.0003784600000000 ] - [ -0.0010580900000000, -0.0000224100000000, -0.0010296700000000 ] - [ -0.0010580900000000, 0.0000224100000000, -0.0010296700000000 ] - [ -0.0005385900000000, 0.0000000000000000, -0.0005302400000000 ] - [ 0.0007530200000000, 0.0000682700000000, 0.0009315500000000 ] - [ 0.0007530200000000, -0.0000682700000000, 0.0009315500000000 ] - [ 0.0003095200000000, 0.0000000000000000, 0.0003693800000000 ] - [ 0.0071091700000000, 0.0000000000000000, 0.0056906200000000 ] - [ 0.0007233700000000, 0.0002023000000000, 0.0007455000000000 ] - [ 0.0007233700000000, -0.0002023000000000, 0.0007455000000000 ] - [ 0.0014088400000000, 0.0000000000000000, -0.0052343100000000 ] - [ 0.0001663300000000, -0.0002257100000000, -0.0008064700000000 ] - [ 0.0001663300000000, 0.0002257100000000, -0.0008064700000000 ] - [ -0.0001777500000000, 0.0000000000000000, -0.0007629400000000 ] - [ 0.0001942400000000, 0.0000116000000000, -0.0000570100000000 ] - [ 0.0001942400000000, -0.0000116000000000, -0.0000570100000000 ] - [ 0.0022502200000000, -0.0000901600000000, 0.0089367400000000 ] - [ 0.0022502200000000, 0.0000901600000000, 0.0089367400000000 ] - [ 0.0005305200000000, 0.0000000000000000, 0.0025714900000000 ] - [ -0.0017881400000000, 0.0000000000000000, 0.0413733700000000 ] - [ 0.0006138400000000, 0.0004571800000000, 0.0020090800000000 ] - [ 0.0006138400000000, -0.0004571800000000, 0.0020090800000000 ] - [ 0.0023574400000000, 0.0006353300000000, 0.0000247700000000 ] - [ 0.0023574400000000, -0.0006353300000000, 0.0000247700000000 ] - [ 0.0006576800000000, 0.0000000000000000, 0.0001038300000000 ] - [ 0.0215092700000000, 0.0000000000000000, -0.2072478000000000 ] - [ 0.0013312400000000, 0.0001091100000000, -0.0040743200000000 ] - [ 0.0013312400000000, -0.0001091100000000, -0.0040743200000000 ] - [ 0.0018365100000000, -0.0002115000000000, -0.0024356100000000 ] - [ 0.0018365100000000, 0.0002115000000000, -0.0024356100000000 ] - [ 0.0008930000000000, 0.0000000000000000, -0.0004191800000000 ] - [ -0.0243741400000000, 0.0000000000000000, 0.0257181500000000 ] - [ -0.0014936100000000, -0.0006367200000000, 0.0013057800000000 ] - [ -0.0014936100000000, 0.0006367200000000, 0.0013057800000000 ] - [ -0.0022862000000000, -0.0006508900000000, 0.0003922000000000 ] - [ -0.0022862000000000, 0.0006508900000000, 0.0003922000000000 ] - [ -0.0006368600000000, 0.0000000000000000, 0.0002093000000000 ] - [ -0.0011199500000000, 0.0000000000000000, 0.0053500200000000 ] - [ -0.0007373300000000, 0.0000844400000000, 0.0005517200000000 ] - [ -0.0007373300000000, -0.0000844400000000, 0.0005517200000000 ] - [ 0.0001097200000000, 0.0003757700000000, 0.0026711500000000 ] - [ 0.0001097200000000, -0.0003757700000000, 0.0026711500000000 ] - [ 0.0007534700000000, 0.0000000000000000, -0.0000886800000000 ] - [ -0.0219356700000000, 0.0000000000000000, 0.0018960800000000 ] - [ 0.0005609100000000, 0.0028027600000000, 0.0008885300000000 ] - [ 0.0005609100000000, -0.0028027600000000, 0.0008885300000000 ] - [ 0.0086048000000000, 0.0205057000000000, 0.0056152700000000 ] - [ 0.0086048000000000, -0.0205057000000000, 0.0056152700000000 ] - [ 0.0016653700000000, 0.0000000000000000, 0.0002117100000000 ] - [ 0.0114955600000000, 0.0000000000000000, -0.0041028400000000 ] - [ 0.0003399800000000, -0.0012332000000000, -0.0019705500000000 ] - [ 0.0003399800000000, 0.0012332000000000, -0.0019705500000000 ] - [ -0.0051716300000000, -0.0135083900000000, -0.0041467200000000 ] - [ -0.0051716300000000, 0.0135083900000000, -0.0041467200000000 ] - [ 0.0015333700000000, 0.0000000000000000, -0.0013106100000000 ] - [ 0.0058419900000000, 0.0000000000000000, 0.0232897400000000 ] - [ -0.0014549800000000, -0.0022506700000000, 0.0016660000000000 ] - [ -0.0014549800000000, 0.0022506700000000, 0.0016660000000000 ] - [ 0.0017856900000000, 0.0000000000000000, 0.0027885200000000 ] - [ -0.0002179200000000, 0.0001239300000000, 0.0003375800000000 ] - [ -0.0002179200000000, -0.0001239300000000, 0.0003375800000000 ] - [ 0.0001747500000000, -0.0000841600000000, -0.0001713700000000 ] - [ 0.0001747500000000, 0.0000841600000000, -0.0001713700000000 ] - [ 0.0000823300000000, 0.0000000000000000, -0.0003920400000000 ] - [ -0.0005056700000000, 0.0000000000000000, 0.0012598500000000 ] - [ -0.0003390900000000, -0.0000076400000000, 0.0000409900000000 ] - [ -0.0003390900000000, 0.0000076400000000, 0.0000409900000000 ] - [ -0.0000108100000000, -0.0000884400000000, -0.0007129000000000 ] - [ -0.0000108100000000, 0.0000884400000000, -0.0007129000000000 ] - [ 0.0002200100000000, 0.0000000000000000, -0.0002203500000000 ] - [ -0.0052079600000000, 0.0000000000000000, -0.0041685600000000 ] - [ -0.0006889200000000, -0.0000917700000000, -0.0003844800000000 ] - [ -0.0006889200000000, 0.0000917700000000, -0.0003844800000000 ] - [ 0.0000941200000000, -0.0000301500000000, -0.0000347300000000 ] - [ 0.0000941200000000, 0.0000301500000000, -0.0000347300000000 ] - [ 0.0000897500000000, 0.0000000000000000, -0.0000248100000000 ] - [ 0.0382592500000000, 0.0000000000000000, 0.0205641500000000 ] - [ -0.0010904800000000, 0.0003996500000000, 0.0000773900000000 ] - [ -0.0010904800000000, -0.0003996500000000, 0.0000773900000000 ] - [ 0.0008154900000000, -0.0000149100000000, 0.0008216600000000 ] - [ 0.0008154900000000, 0.0000149100000000, 0.0008216600000000 ] - [ 0.0005430200000000, 0.0000000000000000, 0.0002071400000000 ] - [ 0.0013058100000000, 0.0000000000000000, -0.0008487700000000 ] - [ 0.0009866700000000, 0.0001616300000000, -0.0008818900000000 ] - [ 0.0009866700000000, -0.0001616300000000, -0.0008818900000000 ] - [ 0.0012709400000000, -0.0018919200000000, 0.0001633000000000 ] - [ 0.0012709400000000, 0.0018919200000000, 0.0001633000000000 ] - [ 0.0006587400000000, 0.0000000000000000, 0.0004874100000000 ] - [ 0.0000351300000000, 0.0000000000000000, 0.0002115600000000 ] - [ 0.0001740400000000, 0.0001139700000000, 0.0000610300000000 ] - [ 0.0001740400000000, -0.0001139700000000, 0.0000610300000000 ] - [ -0.0011701900000000, 0.0001403600000000, -0.0003041800000000 ] - [ -0.0011701900000000, -0.0001403600000000, -0.0003041800000000 ] - [ -0.0009132400000000, 0.0000000000000000, -0.0001631000000000 ] - [ 0.0029745100000000, 0.0000000000000000, -0.0013248300000000 ] - [ 0.0016100300000000, 0.0002838300000000, -0.0003969200000000 ] - [ 0.0016100300000000, -0.0002838300000000, -0.0003969200000000 ] - [ -0.0009950200000000, -0.0003155300000000, 0.0006253800000000 ] - [ -0.0009950200000000, 0.0003155300000000, 0.0006253800000000 ] - [ -0.0010065400000000, 0.0000000000000000, 0.0005572300000000 ]- atom: 70 displacement: [ 0.0020604768976038, 0.0000000000000000, -0.0097854195083523 ] forces: - [ 0.0035331300000000, 0.0073723200000000, 0.0109184400000000 ] - [ 0.0035331300000000, -0.0073723200000000, 0.0109184400000000 ] - [ 0.0012467600000000, 0.0000000000000000, 0.0023948900000000 ] - [ 0.0052069500000000, 0.0000000000000000, -0.0285932700000000 ] - [ 0.0028205600000000, 0.0061192700000000, -0.0003249000000000 ] - [ 0.0028205600000000, -0.0061192700000000, -0.0003249000000000 ] - [ 0.0086527600000000, 0.0029157600000000, -0.0088240500000000 ] - [ 0.0086527600000000, -0.0029157600000000, -0.0088240500000000 ] - [ 0.0026951600000000, 0.0000000000000000, -0.0012870300000000 ] - [ -0.0102912700000000, 0.0000000000000000, -0.1094154500000000 ] - [ -0.0028908200000000, -0.0082903400000000, -0.0031916700000000 ] - [ -0.0028908200000000, 0.0082903400000000, -0.0031916700000000 ] - [ -0.0055534000000000, -0.0089306900000000, 0.0038197800000000 ] - [ -0.0055534000000000, 0.0089306900000000, 0.0038197800000000 ] - [ -0.0013190600000000, 0.0000000000000000, 0.0007168000000000 ] - [ 0.0015389500000000, 0.0000000000000000, 0.0424820200000000 ] - [ -0.0011660900000000, -0.0004800700000000, 0.0047091900000000 ] - [ -0.0011660900000000, 0.0004800700000000, 0.0047091900000000 ] - [ 0.0006310300000000, 0.0000000000000000, 0.0025315900000000 ] - [ -0.0000331900000000, 0.0002454200000000, 0.0004487900000000 ] - [ -0.0000331900000000, -0.0002454200000000, 0.0004487900000000 ] - [ 0.0003041400000000, -0.0005845900000000, -0.0003972300000000 ] - [ 0.0003041400000000, 0.0005845900000000, -0.0003972300000000 ] - [ -0.0000112000000000, 0.0000000000000000, -0.0001882700000000 ] - [ -0.0020591700000000, 0.0000000000000000, 0.0006585000000000 ] - [ 0.0003306500000000, -0.0000856700000000, -0.0000912400000000 ] - [ 0.0003306500000000, 0.0000856700000000, -0.0000912400000000 ] - [ -0.0007163300000000, -0.0001278100000000, -0.0005719300000000 ] - [ -0.0007163300000000, 0.0001278100000000, -0.0005719300000000 ] - [ -0.0005525300000000, 0.0000000000000000, -0.0003325000000000 ] - [ 0.0096607300000000, 0.0000000000000000, -0.0055808800000000 ] - [ -0.0016274800000000, 0.0011449100000000, -0.0005869800000000 ] - [ -0.0016274800000000, -0.0011449100000000, -0.0005869800000000 ] - [ 0.0002311200000000, -0.0002831100000000, 0.0009502500000000 ] - [ 0.0002311200000000, 0.0002831100000000, 0.0009502500000000 ] - [ 0.0000770200000000, 0.0000000000000000, 0.0007424200000000 ] - [ 0.0263799000000000, 0.0000000000000000, 0.0053761300000000 ] - [ -0.0002461600000000, 0.0003006100000000, -0.0003328800000000 ] - [ -0.0002461600000000, -0.0003006100000000, -0.0003328800000000 ] - [ 0.0002701200000000, 0.0000248700000000, 0.0003239000000000 ] - [ 0.0002701200000000, -0.0000248700000000, 0.0003239000000000 ] - [ 0.0002518600000000, 0.0000000000000000, 0.0003452500000000 ] - [ -0.0001217800000000, -0.0000498900000000, 0.0006975200000000 ] - [ -0.0001217800000000, 0.0000498900000000, 0.0006975200000000 ] - [ 0.0000560900000000, 0.0000000000000000, -0.0000732500000000 ] - [ 0.0008404000000000, 0.0000228100000000, 0.0006799400000000 ] - [ 0.0008404000000000, -0.0000228100000000, 0.0006799400000000 ] - [ 0.0003193000000000, 0.0000000000000000, 0.0001796200000000 ] - [ -0.0001025100000000, -0.0000680200000000, -0.0002726000000000 ] - [ -0.0001025100000000, 0.0000680200000000, -0.0002726000000000 ] - [ 0.0003394900000000, 0.0000000000000000, 0.0002897500000000 ] - [ -0.0071639400000000, 0.0000000000000000, -0.0054799400000000 ] - [ -0.0007103600000000, -0.0002012500000000, -0.0004193000000000 ] - [ -0.0007103600000000, 0.0002012500000000, -0.0004193000000000 ] - [ -0.0013669200000000, 0.0000000000000000, 0.0049159000000000 ] - [ -0.0000491800000000, 0.0002278800000000, 0.0003747200000000 ] - [ -0.0000491800000000, -0.0002278800000000, 0.0003747200000000 ] - [ -0.0000874800000000, 0.0000000000000000, 0.0003985100000000 ] - [ -0.0004257100000000, -0.0000125300000000, -0.0003019800000000 ] - [ -0.0004257100000000, 0.0000125300000000, -0.0003019800000000 ] - [ -0.0027853100000000, 0.0000845700000000, -0.0088259700000000 ] - [ -0.0027853100000000, -0.0000845700000000, -0.0088259700000000 ] - [ -0.0010432200000000, 0.0000000000000000, -0.0023908000000000 ] - [ 0.0016313300000000, 0.0000000000000000, -0.0421161500000000 ] - [ -0.0006127900000000, -0.0004563300000000, -0.0031472300000000 ] - [ -0.0006127900000000, 0.0004563300000000, -0.0031472300000000 ] - [ -0.0022478100000000, -0.0006376400000000, -0.0000147200000000 ] - [ -0.0022478100000000, 0.0006376400000000, -0.0000147200000000 ] - [ -0.0005242800000000, 0.0000000000000000, -0.0001257200000000 ] - [ -0.0180989500000000, 0.0000000000000000, 0.2138972900000000 ] - [ -0.0009633300000000, -0.0001308000000000, 0.0039302900000000 ] - [ -0.0009633300000000, 0.0001308000000000, 0.0039302900000000 ] - [ -0.0016211100000000, 0.0002163100000000, 0.0028958100000000 ] - [ -0.0016211100000000, -0.0002163100000000, 0.0028958100000000 ] - [ -0.0006811800000000, 0.0000000000000000, 0.0008697500000000 ] - [ 0.0245744300000000, 0.0000000000000000, -0.0262801000000000 ] - [ 0.0012191400000000, 0.0006423200000000, -0.0015349700000000 ] - [ 0.0012191400000000, -0.0006423200000000, -0.0015349700000000 ] - [ 0.0010575900000000, 0.0006488900000000, -0.0001044300000000 ] - [ 0.0010575900000000, -0.0006488900000000, -0.0001044300000000 ] - [ -0.0005947700000000, 0.0000000000000000, 0.0000784500000000 ] - [ 0.0014261400000000, 0.0000000000000000, -0.0055105600000000 ] - [ 0.0009212700000000, -0.0000820900000000, -0.0006193700000000 ] - [ 0.0009212700000000, 0.0000820900000000, -0.0006193700000000 ] - [ 0.0017892500000000, -0.0004588600000000, -0.0045352700000000 ] - [ 0.0017892500000000, 0.0004588600000000, -0.0045352700000000 ] - [ 0.0011524800000000, 0.0000000000000000, -0.0017634700000000 ] - [ 0.0229363400000000, 0.0000000000000000, -0.0006062300000000 ] - [ 0.0005441600000000, -0.0028101900000000, 0.0003311600000000 ] - [ 0.0005441600000000, 0.0028101900000000, 0.0003311600000000 ] - [ -0.0080141400000000, -0.0207228500000000, -0.0054586600000000 ] - [ -0.0080141400000000, 0.0207228500000000, -0.0054586600000000 ] - [ -0.0010251400000000, 0.0000000000000000, -0.0001087400000000 ] - [ -0.0130050100000000, 0.0000000000000000, 0.0041263000000000 ] - [ -0.0019173400000000, 0.0012315600000000, 0.0018646400000000 ] - [ -0.0019173400000000, -0.0012315600000000, 0.0018646400000000 ] - [ 0.0085362900000000, 0.0135390400000000, 0.0037862900000000 ] - [ 0.0085362900000000, -0.0135390400000000, 0.0037862900000000 ] - [ 0.0017400100000000, 0.0000000000000000, 0.0009919900000000 ] - [ -0.0080527500000000, 0.0000000000000000, -0.0225994500000000 ] - [ -0.0006295300000000, 0.0022812900000000, -0.0006658100000000 ] - [ -0.0006295300000000, -0.0022812900000000, -0.0006658100000000 ] - [ -0.0023163800000000, 0.0000000000000000, -0.0026351700000000 ] - [ -0.0002968700000000, -0.0001250600000000, -0.0001713800000000 ] - [ -0.0002968700000000, 0.0001250600000000, -0.0001713800000000 ] - [ -0.0001740500000000, 0.0000845200000000, -0.0009370300000000 ] - [ -0.0001740500000000, -0.0000845200000000, -0.0009370300000000 ] - [ -0.0000771600000000, 0.0000000000000000, -0.0007072100000000 ] - [ 0.0006757800000000, 0.0000000000000000, -0.0012800500000000 ] - [ 0.0004809700000000, 0.0000082000000000, -0.0000574100000000 ] - [ 0.0004809700000000, -0.0000082000000000, -0.0000574100000000 ] - [ 0.0003629300000000, 0.0000884600000000, 0.0005390300000000 ] - [ 0.0003629300000000, -0.0000884600000000, 0.0005390300000000 ] - [ 0.0001390800000000, 0.0000000000000000, 0.0000430800000000 ] - [ 0.0054500200000000, 0.0000000000000000, 0.0046957100000000 ] - [ 0.0009115800000000, 0.0000896500000000, 0.0008448200000000 ] - [ 0.0009115800000000, -0.0000896500000000, 0.0008448200000000 ] - [ -0.0003804600000000, 0.0000297300000000, -0.0002039400000000 ] - [ -0.0003804600000000, -0.0000297300000000, -0.0002039400000000 ] - [ -0.0003752600000000, 0.0000000000000000, -0.0002154500000000 ] - [ -0.0394934400000000, 0.0000000000000000, -0.0205306000000000 ] - [ -0.0001314800000000, -0.0004087000000000, 0.0002014700000000 ] - [ -0.0001314800000000, 0.0004087000000000, 0.0002014700000000 ] - [ -0.0006609600000000, 0.0000138100000000, -0.0008805100000000 ] - [ -0.0006609600000000, -0.0000138100000000, -0.0008805100000000 ] - [ -0.0003873400000000, 0.0000000000000000, -0.0002646900000000 ] - [ 0.0006012900000000, 0.0000000000000000, -0.0010013700000000 ] - [ 0.0009259600000000, -0.0001606100000000, -0.0009685700000000 ] - [ 0.0009259600000000, 0.0001606100000000, -0.0009685700000000 ] - [ -0.0001928000000000, 0.0019115100000000, 0.0010659700000000 ] - [ -0.0001928000000000, -0.0019115100000000, 0.0010659700000000 ] - [ 0.0004311000000000, 0.0000000000000000, 0.0007394900000000 ] - [ 0.0006129500000000, 0.0000000000000000, -0.0001164300000000 ] - [ 0.0004744700000000, -0.0001149200000000, 0.0000354600000000 ] - [ 0.0004744700000000, 0.0001149200000000, 0.0000354600000000 ] - [ -0.0003995400000000, -0.0001429700000000, 0.0001907400000000 ] - [ -0.0003995400000000, 0.0001429700000000, 0.0001907400000000 ] - [ -0.0006568500000000, 0.0000000000000000, 0.0000473400000000 ] - [ 0.0002856300000000, 0.0000000000000000, 0.0010153300000000 ] - [ 0.0016554900000000, -0.0002892500000000, 0.0000775100000000 ] - [ 0.0016554900000000, 0.0002892500000000, 0.0000775100000000 ] - [ -0.0010906400000000, 0.0003217600000000, 0.0003684400000000 ] - [ -0.0010906400000000, -0.0003217600000000, 0.0003684400000000 ] - [ -0.0010781400000000, 0.0000000000000000, 0.0004384100000000 ]- atom: 73 displacement: [ 0.0099999983408567, 0.0000000000000000, 0.0000057604567923 ] forces: - [ -0.0040156700000000, 0.0000000000000000, 0.0091875500000000 ] - [ 0.0010346200000000, -0.0015752800000000, 0.0021829400000000 ] - [ 0.0010346200000000, 0.0015752800000000, 0.0021829400000000 ] - [ 0.0009252000000000, -0.0049763200000000, -0.0046050600000000 ] - [ -0.0000846500000000, 0.0000000000000000, -0.0010777100000000 ] - [ 0.0009252000000000, 0.0049763200000000, -0.0046050600000000 ] - [ 0.0976492600000000, 0.0000000000000000, -0.0324952700000000 ] - [ 0.0056575400000000, -0.0060882800000000, 0.0008778100000000 ] - [ 0.0056575400000000, 0.0060882800000000, 0.0008778100000000 ] - [ -0.0059669200000000, -0.0061588500000000, 0.0007290200000000 ] - [ -0.0023449600000000, 0.0000000000000000, -0.0005103000000000 ] - [ -0.0059669200000000, 0.0061588500000000, 0.0007290200000000 ] - [ 0.0278524800000000, 0.0000000000000000, 0.0268486500000000 ] - [ 0.0025098300000000, 0.0011959200000000, 0.0006806600000000 ] - [ 0.0025098300000000, -0.0011959200000000, 0.0006806600000000 ] - [ -0.0033756800000000, -0.0013720800000000, 0.0015456400000000 ] - [ -0.0026700800000000, 0.0000000000000000, 0.0008623500000000 ] - [ -0.0033756800000000, 0.0013720800000000, 0.0015456400000000 ] - [ -0.0028736900000000, 0.0026240100000000, -0.0016582000000000 ] - [ -0.0012077000000000, 0.0000000000000000, -0.0005953100000000 ] - [ -0.0028736900000000, -0.0026240100000000, -0.0016582000000000 ] - [ -0.0060044100000000, 0.0000000000000000, 0.0002732000000000 ] - [ -0.0008330100000000, 0.0009348400000000, 0.0000014500000000 ] - [ -0.0008330100000000, -0.0009348400000000, 0.0000014500000000 ] - [ -0.0025067400000000, 0.0015733700000000, 0.0002820500000000 ] - [ -0.0008560200000000, 0.0000000000000000, -0.0001819800000000 ] - [ -0.0025067400000000, -0.0015733700000000, 0.0002820500000000 ] - [ -0.0185064400000000, 0.0000000000000000, 0.0071586600000000 ] - [ -0.0004520200000000, 0.0024539200000000, 0.0000604500000000 ] - [ -0.0004520200000000, -0.0024539200000000, 0.0000604500000000 ] - [ -0.0050921300000000, 0.0008778000000000, -0.0009422300000000 ] - [ -0.0039767500000000, 0.0000000000000000, -0.0005041100000000 ] - [ -0.0050921300000000, -0.0008778000000000, -0.0009422300000000 ] - [ -0.0003716800000000, 0.0000000000000000, -0.0139476400000000 ] - [ 0.0019539300000000, 0.0022160600000000, -0.0001119400000000 ] - [ 0.0019539300000000, -0.0022160600000000, -0.0001119400000000 ] - [ -0.0017134300000000, -0.0000425900000000, -0.0013213300000000 ] - [ -0.0009626900000000, 0.0000000000000000, -0.0006979600000000 ] - [ -0.0017134300000000, 0.0000425900000000, -0.0013213300000000 ] - [ 0.1792107100000000, 0.0000000000000000, 0.1141421100000000 ] - [ 0.0016185100000000, 0.0007282900000000, 0.0012242800000000 ] - [ 0.0016185100000000, -0.0007282900000000, 0.0012242800000000 ] - [ -0.0007110000000000, 0.0000000000000000, 0.0026860400000000 ] - [ 0.0004378000000000, 0.0000788100000000, -0.0009712300000000 ] - [ 0.0004378000000000, -0.0000788100000000, -0.0009712300000000 ] - [ 0.0063516000000000, 0.0000000000000000, 0.0041999200000000 ] - [ 0.0017144300000000, 0.0000440400000000, 0.0010966500000000 ] - [ 0.0017144300000000, -0.0000440400000000, 0.0010966500000000 ] - [ -0.0017037300000000, 0.0000000000000000, 0.0033585900000000 ] - [ 0.0013868500000000, 0.0003289600000000, 0.0013332600000000 ] - [ 0.0013868500000000, -0.0003289600000000, 0.0013332600000000 ] - [ -0.0019753100000000, -0.0000382000000000, -0.0012776000000000 ] - [ -0.0013057300000000, 0.0000000000000000, -0.0007780400000000 ] - [ -0.0019753100000000, 0.0000382000000000, -0.0012776000000000 ] - [ -0.0004945000000000, -0.0000158400000000, 0.0010076900000000 ] - [ -0.0003649300000000, 0.0000000000000000, 0.0007279100000000 ] - [ -0.0004945000000000, 0.0000158400000000, 0.0010076900000000 ] - [ -0.0019389500000000, 0.0000032600000000, -0.0014405300000000 ] - [ -0.0014024700000000, 0.0000000000000000, -0.0010829300000000 ] - [ -0.0019389500000000, -0.0000032600000000, -0.0014405300000000 ] - [ -0.0008924500000000, 0.0000000000000000, -0.0062499600000000 ] - [ -0.0012706400000000, 0.0000181500000000, -0.0019680000000000 ] - [ -0.0012706400000000, -0.0000181500000000, -0.0019680000000000 ] - [ 0.0005955400000000, 0.0005071900000000, 0.0011475000000000 ] - [ 0.0003280200000000, 0.0000000000000000, -0.0001224500000000 ] - [ 0.0005955400000000, -0.0005071900000000, 0.0011475000000000 ] - [ 0.0003190100000000, 0.0000000000000000, -0.0186417500000000 ] - [ -0.0012150900000000, 0.0003794300000000, -0.0019565900000000 ] - [ -0.0012150900000000, -0.0003794300000000, -0.0019565900000000 ] - [ 0.0016553500000000, 0.0007867200000000, 0.0019982100000000 ] - [ 0.0010347100000000, 0.0000000000000000, 0.0008995100000000 ] - [ 0.0016553500000000, -0.0007867200000000, 0.0019982100000000 ] - [ -0.3591498700000000, 0.0000000000000000, -0.1240707900000000 ] - [ -0.0037103200000000, -0.0005686800000000, 0.0002223500000000 ] - [ -0.0037103200000000, 0.0005686800000000, 0.0002223500000000 ] - [ 0.0032070300000000, 0.0005986800000000, -0.0012810700000000 ] - [ 0.0014258200000000, 0.0000000000000000, 0.0000122600000000 ] - [ 0.0032070300000000, -0.0005986800000000, -0.0012810700000000 ] - [ -0.0024220800000000, 0.0000000000000000, -0.0107554800000000 ] - [ -0.0030637600000000, -0.0003887400000000, 0.0001266700000000 ] - [ -0.0030637600000000, 0.0003887400000000, 0.0001266700000000 ] - [ 0.0032746600000000, 0.0000801200000000, -0.0003206800000000 ] - [ 0.0023706400000000, 0.0000000000000000, -0.0002323900000000 ] - [ 0.0032746600000000, -0.0000801200000000, -0.0003206800000000 ] - [ 0.0027869000000000, 0.0000000000000000, -0.0014470300000000 ] - [ 0.0011729700000000, 0.0009947000000000, -0.0010805500000000 ] - [ 0.0011729700000000, -0.0009947000000000, -0.0010805500000000 ] - [ -0.0041003500000000, -0.0002271900000000, 0.0010509200000000 ] - [ -0.0005392300000000, 0.0000000000000000, 0.0007232300000000 ] - [ -0.0041003500000000, 0.0002271900000000, 0.0010509200000000 ] - [ 0.0160577100000000, 0.0000000000000000, -0.0027779000000000 ] - [ 0.0002691400000000, 0.0023749300000000, -0.0005355900000000 ] - [ 0.0002691400000000, -0.0023749300000000, -0.0005355900000000 ] - [ 0.0045535500000000, 0.0151291500000000, 0.0004389800000000 ] - [ -0.0004264200000000, 0.0000000000000000, 0.0005367000000000 ] - [ 0.0045535500000000, -0.0151291500000000, 0.0004389800000000 ] - [ 0.0137160400000000, 0.0000000000000000, 0.0132946200000000 ] - [ 0.0003569400000000, 0.0015687800000000, 0.0006817200000000 ] - [ 0.0003569400000000, -0.0015687800000000, 0.0006817200000000 ] - [ -0.0002370000000000, 0.0020920600000000, -0.0007226100000000 ] - [ -0.0006488200000000, 0.0000000000000000, 0.0002486400000000 ] - [ -0.0002370000000000, -0.0020920600000000, -0.0007226100000000 ] - [ 0.0009353700000000, -0.0002434100000000, 0.0020990000000000 ] - [ 0.0004022800000000, 0.0000000000000000, 0.0010256100000000 ] - [ 0.0009353700000000, 0.0002434100000000, 0.0020990000000000 ] - [ 0.0014607200000000, 0.0000000000000000, 0.0019066800000000 ] - [ -0.0001023600000000, -0.0003391700000000, -0.0003524300000000 ] - [ -0.0001023600000000, 0.0003391700000000, -0.0003524300000000 ] - [ 0.0021135000000000, -0.0002961300000000, 0.0006900800000000 ] - [ 0.0013145200000000, 0.0000000000000000, 0.0005856900000000 ] - [ 0.0021135000000000, 0.0002961300000000, 0.0006900800000000 ] - [ 0.0040339100000000, 0.0000000000000000, -0.0047435000000000 ] - [ -0.0000697300000000, -0.0004932500000000, -0.0009635300000000 ] - [ -0.0000697300000000, 0.0004932500000000, -0.0009635300000000 ] - [ 0.0028676000000000, -0.0001210700000000, 0.0007674700000000 ] - [ 0.0018899700000000, 0.0000000000000000, 0.0006914700000000 ] - [ 0.0028676000000000, 0.0001210700000000, 0.0007674700000000 ] - [ 0.0383967000000000, 0.0000000000000000, 0.0316398800000000 ] - [ -0.0011894900000000, -0.0007381400000000, -0.0003206300000000 ] - [ -0.0011894900000000, 0.0007381400000000, -0.0003206300000000 ] - [ 0.0025752600000000, -0.0000138200000000, 0.0001461700000000 ] - [ 0.0015799400000000, 0.0000000000000000, 0.0000173600000000 ] - [ 0.0025752600000000, 0.0000138200000000, 0.0001461700000000 ] - [ -0.0055573600000000, 0.0000000000000000, -0.0025559500000000 ] - [ -0.0025525900000000, -0.0001784200000000, -0.0000736400000000 ] - [ -0.0025525900000000, 0.0001784200000000, -0.0000736400000000 ] - [ 0.0017276800000000, -0.0034168200000000, -0.0001771100000000 ] - [ 0.0011740300000000, 0.0000000000000000, -0.0008473600000000 ] - [ 0.0017276800000000, 0.0034168200000000, -0.0001771100000000 ] - [ 0.0026613100000000, 0.0000000000000000, 0.0005858700000000 ] - [ 0.0013009800000000, -0.0005199400000000, 0.0006403500000000 ] - [ 0.0013009800000000, 0.0005199400000000, 0.0006403500000000 ] - [ 0.0023232000000000, -0.0036624900000000, 0.0004228100000000 ] - [ 0.0009923700000000, 0.0000000000000000, 0.0001885900000000 ] - [ 0.0023232000000000, 0.0036624900000000, 0.0004228100000000 ] - [ 0.0020809900000000, 0.0000000000000000, 0.0000378800000000 ] - [ -0.0002999200000000, -0.0008605200000000, -0.0001370700000000 ] - [ -0.0002999200000000, 0.0008605200000000, -0.0001370700000000 ] - [ 0.0028867300000000, -0.0013371000000000, -0.0002094500000000 ] - [ 0.0023311900000000, 0.0000000000000000, -0.0001331500000000 ] - [ 0.0028867300000000, 0.0013371000000000, -0.0002094500000000 ] - [ 0.0027422000000000, 0.0000000000000000, 0.0032766000000000 ] - [ -0.0010395700000000, -0.0010951500000000, 0.0006396500000000 ] - [ -0.0010395700000000, 0.0010951500000000, 0.0006396500000000 ]- atom: 73 displacement: [ -0.0099999983408567, 0.0000000000000000, -0.0000057604567923 ] forces: - [ 0.0043032700000000, 0.0000000000000000, -0.0088001400000000 ] - [ -0.0006601300000000, 0.0015586000000000, -0.0019545500000000 ] - [ -0.0006601300000000, -0.0015586000000000, -0.0019545500000000 ] - [ -0.0011719300000000, 0.0049119600000000, 0.0043019000000000 ] - [ -0.0002211300000000, 0.0000000000000000, 0.0008114600000000 ] - [ -0.0011719300000000, -0.0049119600000000, 0.0043019000000000 ] - [ -0.0901722800000000, 0.0000000000000000, 0.0299552600000000 ] - [ -0.0035312600000000, 0.0060219500000000, -0.0007911100000000 ] - [ -0.0035312600000000, -0.0060219500000000, -0.0007911100000000 ] - [ 0.0046299500000000, 0.0060860600000000, -0.0011741800000000 ] - [ 0.0010472900000000, 0.0000000000000000, 0.0000534500000000 ] - [ 0.0046299500000000, -0.0060860600000000, -0.0011741800000000 ] - [ -0.0308725800000000, 0.0000000000000000, -0.0268231600000000 ] - [ -0.0053419700000000, -0.0011225700000000, -0.0009295900000000 ] - [ -0.0053419700000000, 0.0011225700000000, -0.0009295900000000 ] - [ 0.0026475100000000, 0.0013577600000000, -0.0003744800000000 ] - [ 0.0019484800000000, 0.0000000000000000, 0.0002977800000000 ] - [ 0.0026475100000000, -0.0013577600000000, -0.0003744800000000 ] - [ 0.0032122600000000, -0.0025948200000000, 0.0018293000000000 ] - [ 0.0015632600000000, 0.0000000000000000, 0.0007805400000000 ] - [ 0.0032122600000000, 0.0025948200000000, 0.0018293000000000 ] - [ 0.0056629300000000, 0.0000000000000000, -0.0005258500000000 ] - [ 0.0005122400000000, -0.0009304700000000, -0.0002529500000000 ] - [ 0.0005122400000000, 0.0009304700000000, -0.0002529500000000 ] - [ 0.0045509500000000, -0.0015600600000000, -0.0001941500000000 ] - [ 0.0029151100000000, 0.0000000000000000, 0.0002605200000000 ] - [ 0.0045509500000000, 0.0015600600000000, -0.0001941500000000 ] - [ 0.0170413300000000, 0.0000000000000000, -0.0074439600000000 ] - [ -0.0008207800000000, -0.0024362100000000, -0.0005070400000000 ] - [ -0.0008207800000000, 0.0024362100000000, -0.0005070400000000 ] - [ 0.0022235300000000, -0.0008738100000000, 0.0006776200000000 ] - [ 0.0011178700000000, 0.0000000000000000, 0.0002425600000000 ] - [ 0.0022235300000000, 0.0008738100000000, 0.0006776200000000 ] - [ -0.0003080400000000, 0.0000000000000000, 0.0149065400000000 ] - [ -0.0026488000000000, -0.0021990400000000, 0.0012594800000000 ] - [ -0.0026488000000000, 0.0021990400000000, 0.0012594800000000 ] - [ 0.0023413700000000, 0.0000417500000000, 0.0019635500000000 ] - [ 0.0015987700000000, 0.0000000000000000, 0.0013466600000000 ] - [ 0.0023413700000000, -0.0000417500000000, 0.0019635500000000 ] - [ -0.1896849800000000, 0.0000000000000000, -0.1255153400000000 ] - [ -0.0015907600000000, -0.0007262200000000, -0.0008804200000000 ] - [ -0.0015907600000000, 0.0007262200000000, -0.0008804200000000 ] - [ 0.0008367500000000, 0.0000000000000000, -0.0031626400000000 ] - [ -0.0003143200000000, -0.0000787300000000, 0.0005198800000000 ] - [ -0.0003143200000000, 0.0000787300000000, 0.0005198800000000 ] - [ -0.0064893300000000, 0.0000000000000000, -0.0044905400000000 ] - [ -0.0019244400000000, -0.0000440500000000, -0.0014402800000000 ] - [ -0.0019244400000000, 0.0000440500000000, -0.0014402800000000 ] - [ 0.0023856000000000, 0.0000000000000000, -0.0027116900000000 ] - [ -0.0007371200000000, -0.0003295900000000, -0.0006746000000000 ] - [ -0.0007371200000000, 0.0003295900000000, -0.0006746000000000 ] - [ 0.0019787500000000, 0.0000376500000000, 0.0016009200000000 ] - [ 0.0013150800000000, 0.0000000000000000, 0.0011054500000000 ] - [ 0.0019787500000000, -0.0000376500000000, 0.0016009200000000 ] - [ 0.0006128400000000, 0.0000155500000000, -0.0014485700000000 ] - [ 0.0004841800000000, 0.0000000000000000, -0.0011707200000000 ] - [ 0.0006128400000000, -0.0000155500000000, -0.0014485700000000 ] - [ 0.0017022800000000, -0.0000033100000000, 0.0010776600000000 ] - [ 0.0011700300000000, 0.0000000000000000, 0.0007227900000000 ] - [ 0.0017022800000000, 0.0000033100000000, 0.0010776600000000 ] - [ 0.0003271900000000, 0.0000000000000000, 0.0060408500000000 ] - [ 0.0007472700000000, -0.0000266600000000, 0.0021061600000000 ] - [ 0.0007472700000000, 0.0000266600000000, 0.0021061600000000 ] - [ -0.0005913800000000, -0.0005006600000000, -0.0022309900000000 ] - [ -0.0003239200000000, 0.0000000000000000, -0.0009855500000000 ] - [ -0.0005913800000000, 0.0005006600000000, -0.0022309900000000 ] - [ -0.0001926200000000, 0.0000000000000000, 0.0182404600000000 ] - [ 0.0013468800000000, -0.0003747100000000, 0.0019105300000000 ] - [ 0.0013468800000000, 0.0003747100000000, 0.0019105300000000 ] - [ -0.0012889800000000, -0.0007764600000000, -0.0021525500000000 ] - [ -0.0006730600000000, 0.0000000000000000, -0.0010651900000000 ] - [ -0.0012889800000000, 0.0007764600000000, -0.0021525500000000 ] - [ 0.3639969900000000, 0.0000000000000000, 0.1387731300000000 ] - [ 0.0038976200000000, 0.0005619900000000, 0.0002398100000000 ] - [ 0.0038976200000000, -0.0005619900000000, 0.0002398100000000 ] - [ -0.0034585500000000, -0.0005932300000000, 0.0010252500000000 ] - [ -0.0016963300000000, 0.0000000000000000, -0.0002517600000000 ] - [ -0.0034585500000000, 0.0005932300000000, 0.0010252500000000 ] - [ 0.0011452400000000, 0.0000000000000000, 0.0111959300000000 ] - [ 0.0018312800000000, 0.0003879800000000, 0.0001595100000000 ] - [ 0.0018312800000000, -0.0003879800000000, 0.0001595100000000 ] - [ -0.0030865600000000, -0.0000784500000000, 0.0002595700000000 ] - [ -0.0021879700000000, 0.0000000000000000, 0.0001714300000000 ] - [ -0.0030865600000000, 0.0000784500000000, 0.0002595700000000 ] - [ -0.0008566300000000, 0.0000000000000000, -0.0004079700000000 ] - [ 0.0007383100000000, -0.0009874300000000, -0.0007709600000000 ] - [ 0.0007383100000000, 0.0009874300000000, -0.0007709600000000 ] - [ 0.0051062400000000, 0.0000904900000000, 0.0000971800000000 ] - [ 0.0016165000000000, 0.0000000000000000, 0.0005038200000000 ] - [ 0.0051062400000000, -0.0000904900000000, 0.0000971800000000 ] - [ -0.0151462000000000, 0.0000000000000000, 0.0028236800000000 ] - [ 0.0003801600000000, -0.0023493500000000, 0.0006254200000000 ] - [ 0.0003801600000000, 0.0023493500000000, 0.0006254200000000 ] - [ -0.0060877800000000, -0.0148913700000000, -0.0005406600000000 ] - [ -0.0011383500000000, 0.0000000000000000, -0.0006468900000000 ] - [ -0.0060877800000000, 0.0148913700000000, -0.0005406600000000 ] - [ -0.0101122200000000, 0.0000000000000000, -0.0133124100000000 ] - [ 0.0028916700000000, -0.0015537100000000, -0.0009885800000000 ] - [ 0.0028916700000000, 0.0015537100000000, -0.0009885800000000 ] - [ -0.0018390500000000, -0.0020694700000000, 0.0016986800000000 ] - [ -0.0014354100000000, 0.0000000000000000, 0.0007428200000000 ] - [ -0.0018390500000000, 0.0020694700000000, 0.0016986800000000 ] - [ -0.0014359400000000, 0.0002418000000000, -0.0019014900000000 ] - [ -0.0009103900000000, 0.0000000000000000, -0.0008421500000000 ] - [ -0.0014359400000000, -0.0002418000000000, -0.0019014900000000 ] - [ -0.0014458600000000, 0.0000000000000000, -0.0029816600000000 ] - [ 0.0001085300000000, 0.0003367800000000, -0.0007398700000000 ] - [ 0.0001085300000000, -0.0003367800000000, -0.0007398700000000 ] - [ -0.0019597000000000, 0.0002930900000000, -0.0007095500000000 ] - [ -0.0011703800000000, 0.0000000000000000, -0.0005998000000000 ] - [ -0.0019597000000000, -0.0002930900000000, -0.0007095500000000 ] - [ -0.0036992100000000, 0.0000000000000000, 0.0045278700000000 ] - [ 0.0004290500000000, 0.0004925800000000, 0.0007775200000000 ] - [ 0.0004290500000000, -0.0004925800000000, 0.0007775200000000 ] - [ -0.0026273700000000, 0.0001207800000000, -0.0003119400000000 ] - [ -0.0016573900000000, 0.0000000000000000, -0.0002372800000000 ] - [ -0.0026273700000000, -0.0001207800000000, -0.0003119400000000 ] - [ -0.0383054400000000, 0.0000000000000000, -0.0317516000000000 ] - [ 0.0008975700000000, 0.0007344000000000, 0.0000788600000000 ] - [ 0.0008975700000000, -0.0007344000000000, 0.0000788600000000 ] - [ -0.0037761600000000, 0.0000145500000000, 0.0001414600000000 ] - [ -0.0027912100000000, 0.0000000000000000, 0.0002675500000000 ] - [ -0.0037761600000000, -0.0000145500000000, 0.0001414600000000 ] - [ 0.0056284300000000, 0.0000000000000000, 0.0025039800000000 ] - [ 0.0027002500000000, 0.0001775800000000, 0.0000126500000000 ] - [ 0.0027002500000000, -0.0001775800000000, 0.0000126500000000 ] - [ 0.0001897400000000, 0.0033911900000000, -0.0016614100000000 ] - [ 0.0007418700000000, 0.0000000000000000, -0.0010018700000000 ] - [ 0.0001897400000000, -0.0033911900000000, -0.0016614100000000 ] - [ -0.0015572600000000, 0.0000000000000000, 0.0006397700000000 ] - [ -0.0002001800000000, 0.0005172500000000, 0.0005844100000000 ] - [ -0.0002001800000000, -0.0005172500000000, 0.0005844100000000 ] - [ -0.0016587200000000, 0.0036279400000000, -0.0003287400000000 ] - [ -0.0003372400000000, 0.0000000000000000, -0.0000904700000000 ] - [ -0.0016587200000000, -0.0036279400000000, -0.0003287400000000 ] - [ -0.0036240300000000, 0.0000000000000000, -0.0001602900000000 ] - [ -0.0012665300000000, 0.0008549800000000, 0.0000180900000000 ] - [ -0.0012665300000000, -0.0008549800000000, 0.0000180900000000 ] - [ 0.0003886300000000, 0.0013299400000000, -0.0001142000000000 ] - [ 0.0009423300000000, 0.0000000000000000, -0.0001894400000000 ] - [ 0.0003886300000000, -0.0013299400000000, -0.0001142000000000 ] - [ -0.0047811400000000, 0.0000000000000000, -0.0022460400000000 ] - [ -0.0010454300000000, 0.0010834700000000, 0.0003575100000000 ] - [ -0.0010454300000000, -0.0010834700000000, 0.0003575100000000 ]- atom: 73 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0001813100000000, 0.0012553600000000, 0.0000852300000000 ] - [ -0.0008703900000000, -0.0005261100000000, -0.0003894700000000 ] - [ 0.0012287200000000, -0.0005309700000000, 0.0005713300000000 ] - [ -0.0028246000000000, 0.0007799300000000, -0.0013546000000000 ] - [ -0.0001610000000000, -0.0014168000000000, -0.0001268000000000 ] - [ 0.0025055200000000, 0.0007950900000000, 0.0011148600000000 ] - [ 0.0007703900000000, 0.0142662900000000, 0.0001704100000000 ] - [ -0.0004059900000000, -0.0039993800000000, 0.0007200600000000 ] - [ 0.0024599000000000, -0.0040118200000000, -0.0006383600000000 ] - [ -0.0022276300000000, 0.0007746000000000, 0.0010709900000000 ] - [ -0.0006403300000000, -0.0012522800000000, -0.0002265000000000 ] - [ 0.0009582700000000, 0.0007389800000000, -0.0015156300000000 ] - [ -0.0014250300000000, 0.0104210500000000, -0.0002147000000000 ] - [ -0.0013955700000000, -0.0046946800000000, -0.0016440100000000 ] - [ -0.0014527400000000, -0.0046884200000000, 0.0013705000000000 ] - [ -0.0005627600000000, 0.0004352800000000, 0.0002538500000000 ] - [ -0.0003540100000000, -0.0008373200000000, 0.0005756900000000 ] - [ -0.0001476300000000, 0.0004342000000000, 0.0008900300000000 ] - [ 0.0001967000000000, 0.0001669100000000, 0.0001490800000000 ] - [ 0.0001849100000000, -0.0003200600000000, 0.0000957100000000 ] - [ 0.0001674200000000, 0.0001599200000000, 0.0000374600000000 ] - [ -0.0001581800000000, 0.0002664700000000, -0.0001256000000000 ] - [ 0.0002629700000000, -0.0001299800000000, -0.0001378700000000 ] - [ -0.0005751900000000, -0.0001306300000000, -0.0001108800000000 ] - [ 0.0010405300000000, 0.0001428700000000, -0.0000110700000000 ] - [ 0.0010366700000000, -0.0002830400000000, 0.0000396400000000 ] - [ 0.0010320100000000, 0.0001404400000000, 0.0000932500000000 ] - [ -0.0006606400000000, 0.0009853400000000, -0.0002045200000000 ] - [ 0.0002267100000000, -0.0004037700000000, -0.0001528100000000 ] - [ -0.0014943400000000, -0.0004044200000000, -0.0002987500000000 ] - [ -0.0016183000000000, 0.0001304700000000, -0.0001247000000000 ] - [ -0.0014201400000000, -0.0002598900000000, -0.0001294900000000 ] - [ -0.0012229300000000, 0.0001286100000000, -0.0001315800000000 ] - [ -0.0003519400000000, 0.0006646300000000, 0.0005554800000000 ] - [ 0.0002957200000000, -0.0002724700000000, 0.0009860000000000 ] - [ -0.0010005200000000, -0.0002756000000000, 0.0001701800000000 ] - [ 0.0000680300000000, 0.0000146700000000, 0.0000958600000000 ] - [ 0.0003226600000000, -0.0000288600000000, 0.0003280500000000 ] - [ 0.0005773800000000, 0.0000148200000000, 0.0005603800000000 ] - [ 0.0011848800000000, 0.0129185800000000, 0.0009969200000000 ] - [ 0.0004724200000000, -0.0006868000000000, 0.0005246500000000 ] - [ -0.0004490200000000, -0.0006772300000000, -0.0001864800000000 ] - [ 0.0000605800000000, -0.0005789200000000, -0.0002270900000000 ] - [ 0.0001620100000000, -0.0000226000000000, -0.0005232300000000 ] - [ -0.0000389900000000, -0.0000227500000000, 0.0000708200000000 ] - [ -0.0001123100000000, 0.0003627700000000, -0.0001753900000000 ] - [ 0.0000526200000000, -0.0001036500000000, 0.0000319900000000 ] - [ -0.0002775400000000, -0.0001030900000000, -0.0003860600000000 ] - [ 0.0003241800000000, 0.0010250300000000, 0.0003292300000000 ] - [ 0.0006435600000000, -0.0001590700000000, 0.0004340400000000 ] - [ 0.0000043000000000, -0.0001575700000000, 0.0002222400000000 ] - [ -0.0001303400000000, 0.0000092800000000, 0.0000703900000000 ] - [ 0.0000098600000000, -0.0000193000000000, 0.0001672800000000 ] - [ 0.0001524400000000, 0.0000091900000000, 0.0002664100000000 ] - [ 0.0000233400000000, 0.0000110300000000, -0.0001554700000000 ] - [ 0.0000611100000000, -0.0000224800000000, -0.0002247900000000 ] - [ 0.0000988600000000, 0.0000110800000000, -0.0002944500000000 ] - [ -0.0002157900000000, 0.0000076400000000, -0.0002214500000000 ] - [ -0.0001120700000000, -0.0000180200000000, -0.0001773000000000 ] - [ -0.0000084900000000, 0.0000076300000000, -0.0001332700000000 ] - [ -0.0002484200000000, 0.0003799100000000, 0.0000852200000000 ] - [ 0.0000432700000000, 0.0005458800000000, 0.0014080700000000 ] - [ -0.0005483500000000, 0.0005461200000000, -0.0012091200000000 ] - [ 0.0005846700000000, -0.0001181500000000, 0.0005404300000000 ] - [ 0.0000029100000000, 0.0002024000000000, -0.0005532800000000 ] - [ -0.0005751100000000, -0.0001194200000000, -0.0016308500000000 ] - [ 0.0000808700000000, -0.0026804900000000, -0.0000220100000000 ] - [ 0.0004267900000000, 0.0003384200000000, -0.0005852300000000 ] - [ -0.0002830000000000, 0.0003385300000000, 0.0005602500000000 ] - [ 0.0010496000000000, -0.0000786400000000, -0.0001343200000000 ] - [ 0.0001791400000000, 0.0002055300000000, -0.0000889100000000 ] - [ -0.0006845600000000, -0.0000788400000000, -0.0000550200000000 ] - [ -0.0009643200000000, -0.0380353500000000, -0.0007498700000000 ] - [ 0.0006830000000000, 0.0013187500000000, 0.0002286100000000 ] - [ -0.0004490600000000, 0.0013077800000000, 0.0002224800000000 ] - [ 0.0004142400000000, -0.0000466700000000, -0.0005717400000000 ] - [ -0.0001411400000000, 0.0001661800000000, -0.0001187000000000 ] - [ -0.0007012300000000, -0.0000428700000000, 0.0003372400000000 ] - [ -0.0006166900000000, -0.0016781000000000, 0.0001406000000000 ] - [ -0.0009688900000000, 0.0002580900000000, 0.0004052600000000 ] - [ -0.0002579300000000, 0.0002569100000000, -0.0001155500000000 ] - [ 0.0003183800000000, -0.0000319100000000, -0.0000622100000000 ] - [ 0.0000824400000000, 0.0000623800000000, -0.0000293400000000 ] - [ -0.0001547300000000, -0.0000323400000000, 0.0000051600000000 ] - [ 0.0009580400000000, -0.0008448900000000, -0.0009224200000000 ] - [ 0.0012858100000000, 0.0004012700000000, -0.0009214200000000 ] - [ 0.0006284000000000, 0.0004060300000000, -0.0009267800000000 ] - [ 0.0047807200000000, 0.0048944900000000, 0.0069775000000000 ] - [ 0.0005509200000000, 0.0025672400000000, 0.0006133100000000 ] - [ -0.0036496600000000, 0.0048775700000000, -0.0056971200000000 ] - [ 0.0002861500000000, -0.0003694500000000, 0.0000600300000000 ] - [ 0.0009859200000000, 0.0009711000000000, -0.0000869000000000 ] - [ -0.0003330800000000, 0.0009776800000000, 0.0001854000000000 ] - [ 0.0063793500000000, 0.0026670100000000, -0.0007776100000000 ] - [ -0.0007839300000000, 0.0022348100000000, -0.0000596400000000 ] - [ -0.0078957200000000, 0.0026863000000000, 0.0006439100000000 ] - [ 0.0016662900000000, -0.0022121500000000, -0.0001490400000000 ] - [ 0.0020996000000000, 0.0009002900000000, -0.0000120700000000 ] - [ 0.0011725800000000, 0.0009006900000000, -0.0003143500000000 ] - [ -0.0010334600000000, -0.0005648200000000, 0.0003436300000000 ] - [ -0.0010428800000000, 0.0010663600000000, 0.0004982500000000 ] - [ -0.0010497900000000, -0.0005626100000000, 0.0006578500000000 ] - [ -0.0002382200000000, -0.0000224400000000, 0.0000834200000000 ] - [ -0.0002563200000000, 0.0000468300000000, 0.0000886100000000 ] - [ -0.0002701500000000, -0.0000223500000000, 0.0001015400000000 ] - [ 0.0000033800000000, -0.0001221100000000, -0.0005479100000000 ] - [ -0.0001161900000000, 0.0000362500000000, -0.0006492100000000 ] - [ 0.0001222100000000, 0.0000368900000000, -0.0004482800000000 ] - [ 0.0001121700000000, -0.0000263200000000, 0.0000182100000000 ] - [ 0.0000675400000000, 0.0000492500000000, -0.0000105400000000 ] - [ 0.0000273400000000, -0.0000256800000000, -0.0000442400000000 ] - [ 0.0001749600000000, -0.0004906300000000, -0.0000934500000000 ] - [ -0.0002603000000000, 0.0001564400000000, -0.0000895000000000 ] - [ 0.0006176500000000, 0.0001552700000000, -0.0000899800000000 ] - [ 0.0002286700000000, -0.0000237000000000, 0.0002947000000000 ] - [ 0.0001100200000000, 0.0000465200000000, 0.0002251300000000 ] - [ -0.0000116400000000, -0.0000237100000000, 0.0001551600000000 ] - [ -0.0000615500000000, -0.0043130100000000, -0.0000643100000000 ] - [ -0.0008711700000000, 0.0003491000000000, -0.0005004600000000 ] - [ 0.0005818200000000, 0.0003465700000000, 0.0002584200000000 ] - [ -0.0003219100000000, -0.0000206900000000, 0.0002167200000000 ] - [ -0.0006131700000000, 0.0000415400000000, 0.0001430100000000 ] - [ -0.0009034900000000, -0.0000210900000000, 0.0000702300000000 ] - [ 0.0000795500000000, -0.0001960400000000, -0.0000272900000000 ] - [ -0.0003389700000000, 0.0000994900000000, 0.0000132200000000 ] - [ 0.0005008900000000, 0.0000994700000000, -0.0000699700000000 ] - [ 0.0008732100000000, -0.0003529700000000, -0.0009301800000000 ] - [ 0.0009567800000000, 0.0005409900000000, -0.0009254200000000 ] - [ 0.0010386900000000, -0.0003459600000000, -0.0009184000000000 ] - [ 0.0005475400000000, -0.0002479600000000, 0.0006132500000000 ] - [ 0.0004666800000000, 0.0001217800000000, 0.0006187500000000 ] - [ 0.0006279400000000, 0.0001228500000000, 0.0006065900000000 ] - [ 0.0001853900000000, -0.0002651300000000, -0.0000328700000000 ] - [ 0.0003238600000000, 0.0004700500000000, 0.0000486100000000 ] - [ 0.0004620800000000, -0.0002581100000000, 0.0001261800000000 ] - [ -0.0007827200000000, -0.0002421100000000, -0.0000595400000000 ] - [ -0.0009207200000000, 0.0001159700000000, -0.0000865300000000 ] - [ -0.0006499100000000, 0.0001172000000000, -0.0000310000000000 ] - [ 0.0016376700000000, -0.0001290500000000, -0.0001509500000000 ] - [ 0.0016340100000000, 0.0002499900000000, -0.0001611900000000 ] - [ 0.0016304800000000, -0.0001257300000000, -0.0001715900000000 ] - [ -0.0010371000000000, -0.0001670200000000, 0.0005005900000000 ] - [ -0.0011916400000000, 0.0001065600000000, 0.0004089500000000 ] - [ -0.0008940700000000, 0.0001115900000000, 0.0005860900000000 ]- atom: 73 displacement: [ -0.0020604768976038, 0.0000000000000000, 0.0097854195083523 ] forces: - [ 0.0035793000000000, 0.0000000000000000, -0.0177527500000000 ] - [ -0.0001258800000000, 0.0004942000000000, -0.0033032400000000 ] - [ -0.0001258800000000, -0.0004942000000000, -0.0033032400000000 ] - [ -0.0066473000000000, -0.0025391300000000, 0.0038227100000000 ] - [ -0.0018685400000000, 0.0000000000000000, 0.0005297000000000 ] - [ -0.0066473000000000, 0.0025391300000000, 0.0038227100000000 ] - [ -0.0321625900000000, 0.0000000000000000, 0.0301812700000000 ] - [ -0.0005563300000000, 0.0047398800000000, 0.0008824300000000 ] - [ -0.0005563300000000, -0.0047398800000000, 0.0008824300000000 ] - [ 0.0027447400000000, 0.0047355300000000, 0.0001677200000000 ] - [ -0.0001927200000000, 0.0000000000000000, -0.0000246900000000 ] - [ 0.0027447400000000, -0.0047355300000000, 0.0001677200000000 ] - [ -0.0123246000000000, 0.0000000000000000, -0.0121230600000000 ] - [ -0.0005373900000000, -0.0075334300000000, -0.0004912300000000 ] - [ -0.0005373900000000, 0.0075334300000000, -0.0004912300000000 ] - [ -0.0013206300000000, 0.0001941200000000, -0.0024463400000000 ] - [ -0.0008976400000000, 0.0000000000000000, -0.0002383700000000 ] - [ -0.0013206300000000, -0.0001941200000000, -0.0024463400000000 ] - [ -0.0002682300000000, 0.0007678600000000, -0.0002463400000000 ] - [ 0.0001246400000000, 0.0000000000000000, 0.0000094400000000 ] - [ -0.0002682300000000, -0.0007678600000000, -0.0002463400000000 ] - [ 0.0006475500000000, 0.0000000000000000, -0.0005670100000000 ] - [ 0.0002801600000000, 0.0000418300000000, -0.0001514100000000 ] - [ 0.0002801600000000, -0.0000418300000000, -0.0001514100000000 ] - [ 0.0008780500000000, 0.0003340100000000, 0.0002944900000000 ] - [ 0.0009774200000000, 0.0000000000000000, 0.0000699300000000 ] - [ 0.0008780500000000, -0.0003340100000000, 0.0002944900000000 ] - [ -0.0059373600000000, 0.0000000000000000, 0.0067084800000000 ] - [ -0.0004253600000000, 0.0004264800000000, 0.0004516900000000 ] - [ -0.0004253600000000, -0.0004264800000000, 0.0004516900000000 ] - [ -0.0015328800000000, 0.0001150800000000, -0.0001944700000000 ] - [ -0.0015922200000000, 0.0000000000000000, -0.0001345200000000 ] - [ -0.0015328800000000, -0.0001150800000000, -0.0001944700000000 ] - [ -0.0000554000000000, 0.0000000000000000, -0.0057095700000000 ] - [ 0.0002007300000000, 0.0006037800000000, 0.0001705700000000 ] - [ 0.0002007300000000, -0.0006037800000000, 0.0001705700000000 ] - [ 0.0003078300000000, 0.0000007100000000, 0.0003901700000000 ] - [ 0.0002047700000000, 0.0000000000000000, 0.0002581200000000 ] - [ 0.0003078300000000, -0.0000007100000000, 0.0003901700000000 ] - [ 0.0862551800000000, 0.0000000000000000, 0.0931091800000000 ] - [ 0.0001702500000000, 0.0001232800000000, 0.0003998200000000 ] - [ 0.0001702500000000, -0.0001232800000000, 0.0003998200000000 ] - [ 0.0023800500000000, 0.0000000000000000, -0.0079647400000000 ] - [ 0.0004169400000000, -0.0000835000000000, -0.0012546000000000 ] - [ 0.0004169400000000, 0.0000835000000000, -0.0012546000000000 ] - [ -0.0029388300000000, 0.0000000000000000, -0.0039217900000000 ] - [ -0.0001668900000000, 0.0001082900000000, -0.0003963900000000 ] - [ -0.0001668900000000, -0.0001082900000000, -0.0003963900000000 ] - [ 0.0065789700000000, 0.0000000000000000, 0.0027807900000000 ] - [ 0.0010990400000000, -0.0001710300000000, 0.0009667200000000 ] - [ 0.0010990400000000, 0.0001710300000000, 0.0009667200000000 ] - [ 0.0001309000000000, 0.0000242400000000, 0.0003060800000000 ] - [ -0.0000736400000000, 0.0000000000000000, 0.0001215300000000 ] - [ 0.0001309000000000, -0.0000242400000000, 0.0003060800000000 ] - [ -0.0000463100000000, -0.0000003600000000, -0.0001211000000000 ] - [ -0.0000048100000000, 0.0000000000000000, -0.0001173800000000 ] - [ -0.0000463100000000, 0.0000003600000000, -0.0001211000000000 ] - [ -0.0002945400000000, 0.0000089900000000, -0.0003256300000000 ] - [ -0.0002550700000000, 0.0000000000000000, -0.0002868900000000 ] - [ -0.0002945400000000, -0.0000089900000000, -0.0003256300000000 ] - [ 0.0062502500000000, 0.0000000000000000, 0.0316749900000000 ] - [ 0.0006514900000000, 0.0008425600000000, 0.0039278900000000 ] - [ 0.0006514900000000, -0.0008425600000000, 0.0039278900000000 ] - [ 0.0012553400000000, 0.0001738700000000, 0.0011737500000000 ] - [ 0.0003814600000000, 0.0000000000000000, 0.0000471500000000 ] - [ 0.0012553400000000, -0.0001738700000000, 0.0011737500000000 ] - [ -0.0105158600000000, 0.0000000000000000, 0.0175419600000000 ] - [ -0.0005145200000000, -0.0004407300000000, 0.0011500200000000 ] - [ -0.0005145200000000, 0.0004407300000000, 0.0011500200000000 ] - [ 0.0013822300000000, 0.0000581500000000, -0.0028816800000000 ] - [ 0.0006620800000000, 0.0000000000000000, -0.0007998200000000 ] - [ 0.0013822300000000, -0.0000581500000000, -0.0028816800000000 ] - [ -0.0534361100000000, 0.0000000000000000, -0.1763721000000000 ] - [ 0.0008747000000000, 0.0001064700000000, -0.0017801900000000 ] - [ 0.0008747000000000, -0.0001064700000000, -0.0017801900000000 ] - [ -0.0014023300000000, -0.0004844100000000, 0.0015700000000000 ] - [ -0.0002055500000000, 0.0000000000000000, 0.0002664200000000 ] - [ -0.0014023300000000, 0.0004844100000000, 0.0015700000000000 ] - [ -0.0095678300000000, 0.0000000000000000, 0.0123492500000000 ] - [ -0.0018013300000000, 0.0004294300000000, 0.0004925700000000 ] - [ -0.0018013300000000, -0.0004294300000000, 0.0004925700000000 ] - [ 0.0004728500000000, -0.0000332800000000, 0.0001389800000000 ] - [ 0.0003951400000000, 0.0000000000000000, -0.0000011900000000 ] - [ 0.0004728500000000, 0.0000332800000000, 0.0001389800000000 ] - [ 0.0007850500000000, 0.0000000000000000, -0.0000450400000000 ] - [ 0.0012348400000000, -0.0001734200000000, -0.0005631200000000 ] - [ 0.0012348400000000, 0.0001734200000000, -0.0005631200000000 ] - [ 0.0079589600000000, 0.0153067600000000, 0.0061328300000000 ] - [ 0.0018297900000000, 0.0000000000000000, 0.0002720100000000 ] - [ 0.0079589600000000, -0.0153067600000000, 0.0061328300000000 ] - [ -0.0129026700000000, 0.0000000000000000, 0.0050891600000000 ] - [ 0.0002353200000000, -0.0013962200000000, 0.0005709000000000 ] - [ 0.0002353200000000, 0.0013962200000000, 0.0005709000000000 ] - [ -0.0053136700000000, -0.0102579700000000, -0.0027799000000000 ] - [ -0.0010983500000000, 0.0000000000000000, -0.0009091900000000 ] - [ -0.0053136700000000, 0.0102579700000000, -0.0027799000000000 ] - [ 0.0131294400000000, 0.0000000000000000, -0.0015385900000000 ] - [ 0.0026048200000000, 0.0007231300000000, -0.0017914500000000 ] - [ 0.0026048200000000, -0.0007231300000000, -0.0017914500000000 ] - [ -0.0012646400000000, -0.0004741000000000, 0.0019772000000000 ] - [ -0.0009681900000000, 0.0000000000000000, 0.0009884100000000 ] - [ -0.0012646400000000, 0.0004741000000000, 0.0019772000000000 ] - [ -0.0001148400000000, -0.0000500800000000, 0.0004495600000000 ] - [ -0.0002051300000000, 0.0000000000000000, 0.0001832700000000 ] - [ -0.0001148400000000, 0.0000500800000000, 0.0004495600000000 ] - [ 0.0001826900000000, 0.0000000000000000, 0.0007318600000000 ] - [ -0.0001034000000000, -0.0000450500000000, -0.0003780500000000 ] - [ -0.0001034000000000, 0.0000450500000000, -0.0003780500000000 ] - [ 0.0002824400000000, -0.0000858900000000, 0.0000045000000000 ] - [ 0.0001682400000000, 0.0000000000000000, 0.0000530200000000 ] - [ 0.0002824400000000, 0.0000858900000000, 0.0000045000000000 ] - [ -0.0029087000000000, 0.0000000000000000, -0.0040936600000000 ] - [ -0.0004464000000000, 0.0000754200000000, -0.0006746800000000 ] - [ -0.0004464000000000, -0.0000754200000000, -0.0006746800000000 ] - [ 0.0000814300000000, -0.0000437800000000, 0.0000477100000000 ] - [ 0.0002061700000000, 0.0000000000000000, 0.0002243100000000 ] - [ 0.0000814300000000, 0.0000437800000000, 0.0000477100000000 ] - [ 0.0217273500000000, 0.0000000000000000, 0.0101088200000000 ] - [ -0.0001882000000000, -0.0001693900000000, -0.0002781300000000 ] - [ -0.0001882000000000, 0.0001693900000000, -0.0002781300000000 ] - [ -0.0004740500000000, -0.0000059100000000, 0.0000277600000000 ] - [ -0.0004102600000000, 0.0000000000000000, 0.0001011800000000 ] - [ -0.0004740500000000, 0.0000059100000000, 0.0000277600000000 ] - [ -0.0009310200000000, 0.0000000000000000, 0.0064817500000000 ] - [ -0.0004178200000000, -0.0000665800000000, 0.0006824100000000 ] - [ -0.0004178200000000, 0.0000665800000000, 0.0006824100000000 ] - [ 0.0010683000000000, -0.0008378800000000, -0.0005956800000000 ] - [ 0.0009145400000000, 0.0000000000000000, -0.0008787700000000 ] - [ 0.0010683000000000, 0.0008378800000000, -0.0005956800000000 ] - [ 0.0004836200000000, 0.0000000000000000, 0.0006145900000000 ] - [ 0.0004846500000000, -0.0001229800000000, 0.0006208300000000 ] - [ 0.0004846500000000, 0.0001229800000000, 0.0006208300000000 ] - [ 0.0005627100000000, -0.0009681300000000, -0.0000991200000000 ] - [ 0.0003456400000000, 0.0000000000000000, 0.0000082500000000 ] - [ 0.0005627100000000, 0.0009681300000000, -0.0000991200000000 ] - [ -0.0003798300000000, 0.0000000000000000, -0.0003526300000000 ] - [ -0.0008471400000000, -0.0002168900000000, -0.0001699700000000 ] - [ -0.0008471400000000, 0.0002168900000000, -0.0001699700000000 ] - [ 0.0015101400000000, -0.0000647700000000, -0.0002702200000000 ] - [ 0.0015869900000000, 0.0000000000000000, -0.0002037900000000 ] - [ 0.0015101400000000, 0.0000647700000000, -0.0002702200000000 ] - [ 0.0001242200000000, 0.0000000000000000, 0.0013341900000000 ] - [ -0.0011225800000000, -0.0002923900000000, 0.0004719100000000 ] - [ -0.0011225800000000, 0.0002923900000000, 0.0004719100000000 ]- atom: 73 displacement: [ 0.0020604768976038, 0.0000000000000000, -0.0097854195083523 ] forces: - [ -0.0033524500000000, 0.0000000000000000, 0.0177708900000000 ] - [ 0.0004992600000000, -0.0005139900000000, 0.0034570600000000 ] - [ 0.0004992600000000, 0.0005139900000000, 0.0034570600000000 ] - [ 0.0062671900000000, 0.0024520100000000, -0.0040231100000000 ] - [ 0.0015295200000000, 0.0000000000000000, -0.0007747500000000 ] - [ 0.0062671900000000, -0.0024520100000000, -0.0040231100000000 ] - [ 0.0363491100000000, 0.0000000000000000, -0.0298637100000000 ] - [ 0.0026464600000000, -0.0046835900000000, -0.0008044200000000 ] - [ 0.0026464600000000, 0.0046835900000000, -0.0008044200000000 ] - [ -0.0039939500000000, -0.0047116500000000, -0.0006340100000000 ] - [ -0.0010903800000000, 0.0000000000000000, -0.0004338900000000 ] - [ -0.0039939500000000, 0.0047116500000000, -0.0006340100000000 ] - [ 0.0099609300000000, 0.0000000000000000, 0.0133377100000000 ] - [ -0.0022547300000000, 0.0074394100000000, 0.0002532800000000 ] - [ -0.0022547300000000, -0.0074394100000000, 0.0002532800000000 ] - [ 0.0005653100000000, -0.0002262900000000, 0.0035636800000000 ] - [ 0.0001655700000000, 0.0000000000000000, 0.0013832100000000 ] - [ 0.0005653100000000, 0.0002262900000000, 0.0035636800000000 ] - [ 0.0006081300000000, -0.0007451500000000, 0.0004161000000000 ] - [ 0.0002312100000000, 0.0000000000000000, 0.0001751700000000 ] - [ 0.0006081300000000, 0.0007451500000000, 0.0004161000000000 ] - [ -0.0010043600000000, 0.0000000000000000, 0.0003304400000000 ] - [ -0.0006005700000000, -0.0000352300000000, -0.0000968500000000 ] - [ -0.0006005700000000, 0.0000352300000000, -0.0000968500000000 ] - [ 0.0011654900000000, -0.0003206000000000, -0.0002101700000000 ] - [ 0.0010810500000000, 0.0000000000000000, 0.0000078200000000 ] - [ 0.0011654900000000, 0.0003206000000000, -0.0002101700000000 ] - [ 0.0044440800000000, 0.0000000000000000, -0.0070480900000000 ] - [ -0.0008562100000000, -0.0004012200000000, -0.0008964000000000 ] - [ -0.0008562100000000, 0.0004012200000000, -0.0008964000000000 ] - [ -0.0013372400000000, -0.0001088900000000, -0.0000662400000000 ] - [ -0.0012683300000000, 0.0000000000000000, -0.0001260000000000 ] - [ -0.0013372400000000, 0.0001088900000000, -0.0000662400000000 ] - [ -0.0005905700000000, 0.0000000000000000, 0.0066781300000000 ] - [ -0.0008885800000000, -0.0005862300000000, 0.0009680400000000 ] - [ -0.0008885800000000, 0.0005862300000000, 0.0009680400000000 ] - [ 0.0003236700000000, -0.0000011400000000, 0.0002561400000000 ] - [ 0.0004312700000000, 0.0000000000000000, 0.0003909500000000 ] - [ 0.0003236700000000, 0.0000011400000000, 0.0002561400000000 ] - [ -0.0899409700000000, 0.0000000000000000, -0.0925740100000000 ] - [ -0.0001390400000000, -0.0001106600000000, -0.0000586900000000 ] - [ -0.0001390400000000, 0.0001106600000000, -0.0000586900000000 ] - [ -0.0022343100000000, 0.0000000000000000, 0.0074282800000000 ] - [ -0.0002875000000000, 0.0000819800000000, 0.0007889300000000 ] - [ -0.0002875000000000, -0.0000819800000000, 0.0007889300000000 ] - [ 0.0027958700000000, 0.0000000000000000, 0.0036217500000000 ] - [ -0.0000460200000000, -0.0001083800000000, 0.0000469000000000 ] - [ -0.0000460200000000, 0.0001083800000000, 0.0000469000000000 ] - [ -0.0058669100000000, 0.0000000000000000, -0.0020371200000000 ] - [ -0.0004366300000000, 0.0001728300000000, -0.0002931200000000 ] - [ -0.0004366300000000, -0.0001728300000000, -0.0002931200000000 ] - [ -0.0001229000000000, -0.0000241500000000, 0.0000210000000000 ] - [ 0.0000830400000000, 0.0000000000000000, 0.0002059700000000 ] - [ -0.0001229000000000, 0.0000241500000000, 0.0000210000000000 ] - [ 0.0001628100000000, -0.0000000900000000, -0.0003154500000000 ] - [ 0.0001233400000000, 0.0000000000000000, -0.0003227600000000 ] - [ 0.0001628100000000, 0.0000000900000000, -0.0003154500000000 ] - [ 0.0000542500000000, -0.0000091200000000, -0.0000409400000000 ] - [ 0.0000203200000000, 0.0000000000000000, -0.0000753200000000 ] - [ 0.0000542500000000, 0.0000091200000000, -0.0000409400000000 ] - [ -0.0066820800000000, 0.0000000000000000, -0.0310833300000000 ] - [ -0.0011558600000000, -0.0008297600000000, -0.0037077600000000 ] - [ -0.0011558600000000, 0.0008297600000000, -0.0037077600000000 ] - [ -0.0012282800000000, -0.0001648600000000, -0.0022407500000000 ] - [ -0.0003701500000000, 0.0000000000000000, -0.0011467700000000 ] - [ -0.0012282800000000, 0.0001648600000000, -0.0022407500000000 ] - [ 0.0107748200000000, 0.0000000000000000, -0.0178347800000000 ] - [ 0.0006350800000000, 0.0004394400000000, -0.0011560800000000 ] - [ 0.0006350800000000, -0.0004394400000000, -0.0011560800000000 ] - [ -0.0009951500000000, -0.0000491800000000, 0.0026764200000000 ] - [ -0.0002922800000000, 0.0000000000000000, 0.0006197700000000 ] - [ -0.0009951500000000, 0.0000491800000000, 0.0026764200000000 ] - [ 0.0544334500000000, 0.0000000000000000, 0.1742112300000000 ] - [ -0.0006786200000000, -0.0001211600000000, 0.0022018700000000 ] - [ -0.0006786200000000, 0.0001211600000000, 0.0022018700000000 ] - [ 0.0011202500000000, 0.0004830500000000, -0.0017795100000000 ] - [ -0.0000689200000000, 0.0000000000000000, -0.0004950200000000 ] - [ 0.0011202500000000, -0.0004830500000000, -0.0017795100000000 ] - [ 0.0081077700000000, 0.0000000000000000, -0.0118712900000000 ] - [ 0.0005404900000000, -0.0004277700000000, -0.0002043300000000 ] - [ 0.0005404900000000, 0.0004277700000000, -0.0002043300000000 ] - [ -0.0002738100000000, 0.0000357600000000, -0.0001967500000000 ] - [ -0.0002062300000000, 0.0000000000000000, -0.0000590000000000 ] - [ -0.0002738100000000, -0.0000357600000000, -0.0001967500000000 ] - [ 0.0011876200000000, 0.0000000000000000, -0.0017973500000000 ] - [ 0.0006834600000000, 0.0001841300000000, -0.0012816200000000 ] - [ 0.0006834600000000, -0.0001841300000000, -0.0012816200000000 ] - [ -0.0067892700000000, -0.0150248400000000, -0.0048694500000000 ] - [ -0.0007237700000000, 0.0000000000000000, 0.0009452900000000 ] - [ -0.0067892700000000, 0.0150248400000000, -0.0048694500000000 ] - [ 0.0134193500000000, 0.0000000000000000, -0.0050154400000000 ] - [ 0.0004055000000000, 0.0013867300000000, -0.0004632800000000 ] - [ 0.0004055000000000, -0.0013867300000000, -0.0004632800000000 ] - [ 0.0036443300000000, 0.0101828900000000, 0.0026702000000000 ] - [ -0.0004774000000000, 0.0000000000000000, 0.0007802900000000 ] - [ 0.0036443300000000, -0.0101828900000000, 0.0026702000000000 ] - [ -0.0095402400000000, 0.0000000000000000, 0.0012946400000000 ] - [ 0.0006670400000000, -0.0006995200000000, 0.0014456300000000 ] - [ 0.0006670400000000, 0.0006995200000000, 0.0014456300000000 ] - [ -0.0008083500000000, 0.0005158100000000, -0.0009595100000000 ] - [ -0.0011130800000000, 0.0000000000000000, 0.0000174000000000 ] - [ -0.0008083500000000, -0.0005158100000000, -0.0009595100000000 ] - [ -0.0003850600000000, 0.0000486400000000, -0.0002536800000000 ] - [ -0.0003016000000000, 0.0000000000000000, 0.0000010400000000 ] - [ -0.0003850600000000, -0.0000486400000000, -0.0002536800000000 ] - [ -0.0001771100000000, 0.0000000000000000, -0.0018186700000000 ] - [ 0.0001085000000000, 0.0000425800000000, -0.0007143400000000 ] - [ 0.0001085000000000, -0.0000425800000000, -0.0007143400000000 ] - [ -0.0001258000000000, 0.0000835700000000, -0.0000180500000000 ] - [ -0.0000215500000000, 0.0000000000000000, -0.0000644200000000 ] - [ -0.0001258000000000, -0.0000835700000000, -0.0000180500000000 ] - [ 0.0032756200000000, 0.0000000000000000, 0.0038286200000000 ] - [ 0.0008025300000000, -0.0000792900000000, 0.0004799300000000 ] - [ 0.0008025300000000, 0.0000792900000000, 0.0004799300000000 ] - [ 0.0001566000000000, 0.0000429900000000, 0.0004056200000000 ] - [ 0.0000282000000000, 0.0000000000000000, 0.0002297200000000 ] - [ 0.0001566000000000, -0.0000429900000000, 0.0004056200000000 ] - [ -0.0216753800000000, 0.0000000000000000, -0.0100691100000000 ] - [ -0.0000992600000000, 0.0001605700000000, 0.0000420400000000 ] - [ -0.0000992600000000, -0.0001605700000000, 0.0000420400000000 ] - [ -0.0007253900000000, 0.0000064300000000, 0.0002554400000000 ] - [ -0.0007979500000000, 0.0000000000000000, 0.0001824500000000 ] - [ -0.0007253900000000, -0.0000064300000000, 0.0002554400000000 ] - [ 0.0009712200000000, 0.0000000000000000, -0.0064965500000000 ] - [ 0.0005594500000000, 0.0000663300000000, -0.0007314700000000 ] - [ 0.0005594500000000, -0.0000663300000000, -0.0007314700000000 ] - [ 0.0008498400000000, 0.0008124200000000, -0.0012426100000000 ] - [ 0.0010013100000000, 0.0000000000000000, -0.0009690200000000 ] - [ 0.0008498400000000, -0.0008124200000000, -0.0012426100000000 ] - [ 0.0006253200000000, 0.0000000000000000, 0.0006109800000000 ] - [ 0.0006167900000000, 0.0001186500000000, 0.0006039200000000 ] - [ 0.0006167900000000, -0.0001186500000000, 0.0006039200000000 ] - [ 0.0001075400000000, 0.0009327400000000, 0.0001972900000000 ] - [ 0.0003113300000000, 0.0000000000000000, 0.0000905800000000 ] - [ 0.0001075400000000, -0.0009327400000000, 0.0001972900000000 ] - [ -0.0011639500000000, 0.0000000000000000, 0.0002303300000000 ] - [ -0.0007182700000000, 0.0002097600000000, 0.0000511000000000 ] - [ -0.0007182700000000, -0.0002097600000000, 0.0000511000000000 ] - [ 0.0017673800000000, 0.0000544000000000, -0.0000534700000000 ] - [ 0.0016877900000000, 0.0000000000000000, -0.0001179700000000 ] - [ 0.0017673800000000, -0.0000544000000000, -0.0000534700000000 ] - [ -0.0021768300000000, 0.0000000000000000, -0.0003091200000000 ] - [ -0.0009619900000000, 0.0002809200000000, 0.0005268800000000 ] - [ -0.0009619900000000, -0.0002809200000000, 0.0005268800000000 ]- atom: 76 displacement: [ 0.0099999983408567, 0.0000000000000000, 0.0000057604567923 ] forces: - [ 0.0034521200000000, -0.0066449700000000, -0.0052175500000000 ] - [ 0.0034521200000000, 0.0066449700000000, -0.0052175500000000 ] - [ 0.0008943400000000, 0.0000000000000000, -0.0008656000000000 ] - [ -0.0064353000000000, 0.0000000000000000, 0.0122765200000000 ] - [ 0.0008382900000000, 0.0013893300000000, 0.0022610700000000 ] - [ 0.0008382900000000, -0.0013893300000000, 0.0022610700000000 ] - [ -0.0048777400000000, -0.0069557300000000, 0.0006907500000000 ] - [ -0.0048777400000000, 0.0069557300000000, 0.0006907500000000 ] - [ -0.0005383600000000, 0.0000000000000000, -0.0004094700000000 ] - [ 0.1552406900000000, 0.0000000000000000, -0.0542082300000000 ] - [ 0.0045340400000000, 0.0056516800000000, -0.0000544100000000 ] - [ 0.0045340400000000, -0.0056516800000000, -0.0000544100000000 ] - [ -0.0040085600000000, -0.0013977000000000, 0.0005408700000000 ] - [ -0.0040085600000000, 0.0013977000000000, 0.0005408700000000 ] - [ -0.0032445300000000, 0.0000000000000000, 0.0001086400000000 ] - [ 0.0309402100000000, 0.0000000000000000, 0.0411445000000000 ] - [ 0.0029482400000000, -0.0027579400000000, 0.0009361000000000 ] - [ 0.0029482400000000, 0.0027579400000000, 0.0009361000000000 ] - [ -0.0051878200000000, 0.0000000000000000, 0.0007836900000000 ] - [ -0.0007478500000000, -0.0008566000000000, 0.0002132600000000 ] - [ -0.0007478500000000, 0.0008566000000000, 0.0002132600000000 ] - [ -0.0025718100000000, 0.0017557500000000, -0.0016682800000000 ] - [ -0.0025718100000000, -0.0017557500000000, -0.0016682800000000 ] - [ -0.0014123500000000, 0.0000000000000000, -0.0007607300000000 ] - [ -0.0154990600000000, 0.0000000000000000, 0.0042056100000000 ] - [ 0.0009770000000000, -0.0024654100000000, 0.0003480600000000 ] - [ 0.0009770000000000, 0.0024654100000000, 0.0003480600000000 ] - [ -0.0036246600000000, 0.0013093800000000, 0.0000583700000000 ] - [ -0.0036246600000000, -0.0013093800000000, 0.0000583700000000 ] - [ -0.0022494200000000, 0.0000000000000000, -0.0003373700000000 ] - [ -0.0007195900000000, 0.0000000000000000, -0.0112112000000000 ] - [ 0.0002497300000000, -0.0018953400000000, -0.0007871400000000 ] - [ 0.0002497300000000, 0.0018953400000000, -0.0007871400000000 ] - [ -0.0037877900000000, 0.0006859900000000, 0.0001775000000000 ] - [ -0.0037877900000000, -0.0006859900000000, 0.0001775000000000 ] - [ -0.0027500300000000, 0.0000000000000000, 0.0003652200000000 ] - [ 0.0087159200000000, 0.0000000000000000, 0.0061909800000000 ] - [ 0.0019843600000000, -0.0000291600000000, 0.0015654800000000 ] - [ 0.0019843600000000, 0.0000291600000000, 0.0015654800000000 ] - [ -0.0018386500000000, -0.0000128000000000, -0.0012465900000000 ] - [ -0.0018386500000000, 0.0000128000000000, -0.0012465900000000 ] - [ -0.0011679600000000, 0.0000000000000000, -0.0006917200000000 ] - [ -0.0004047400000000, -0.0000146600000000, 0.0008087100000000 ] - [ -0.0004047400000000, 0.0000146600000000, 0.0008087100000000 ] - [ -0.0003053100000000, 0.0000000000000000, 0.0005914500000000 ] - [ -0.0019717600000000, -0.0000552600000000, -0.0015680400000000 ] - [ -0.0019717600000000, 0.0000552600000000, -0.0015680400000000 ] - [ -0.0012419300000000, 0.0000000000000000, -0.0009949000000000 ] - [ -0.0012824900000000, -0.0000008700000000, -0.0009007600000000 ] - [ -0.0012824900000000, 0.0000008700000000, -0.0009007600000000 ] - [ -0.0008221800000000, 0.0000000000000000, -0.0005588000000000 ] - [ -0.0221012200000000, 0.0000000000000000, -0.0285528200000000 ] - [ 0.0014162800000000, -0.0005894400000000, 0.0010530300000000 ] - [ 0.0014162800000000, 0.0005894400000000, 0.0010530300000000 ] - [ -0.0015040700000000, 0.0000000000000000, 0.0042539000000000 ] - [ 0.0003321300000000, -0.0000678500000000, -0.0007104300000000 ] - [ 0.0003321300000000, 0.0000678500000000, -0.0007104300000000 ] - [ -0.0033721200000000, 0.0000000000000000, 0.0015273300000000 ] - [ 0.0007274000000000, -0.0003273200000000, 0.0005447200000000 ] - [ 0.0007274000000000, 0.0003273200000000, 0.0005447200000000 ] - [ 0.0002750300000000, 0.0004908300000000, 0.0015995100000000 ] - [ 0.0002750300000000, -0.0004908300000000, 0.0015995100000000 ] - [ 0.0000011900000000, 0.0000000000000000, 0.0003683100000000 ] - [ -0.0032655800000000, 0.0000000000000000, -0.0153444000000000 ] - [ -0.0010322200000000, 0.0001867600000000, -0.0029974800000000 ] - [ -0.0010322200000000, -0.0001867600000000, -0.0029974800000000 ] - [ 0.0012408400000000, 0.0009103700000000, 0.0023946800000000 ] - [ 0.0012408400000000, -0.0009103700000000, 0.0023946800000000 ] - [ 0.0007025200000000, 0.0000000000000000, 0.0011136600000000 ] - [ -0.0006229200000000, 0.0000000000000000, -0.0250862900000000 ] - [ -0.0009146700000000, -0.0004494700000000, -0.0016994300000000 ] - [ -0.0009146700000000, 0.0004494700000000, -0.0016994300000000 ] - [ 0.0034383600000000, 0.0005569500000000, -0.0003545300000000 ] - [ 0.0034383600000000, -0.0005569500000000, -0.0003545300000000 ] - [ 0.0016717800000000, 0.0000000000000000, 0.0004857800000000 ] - [ -0.2164379300000000, 0.0000000000000000, 0.0389085200000000 ] - [ -0.0039169900000000, 0.0006203900000000, 0.0008495900000000 ] - [ -0.0039169900000000, -0.0006203900000000, 0.0008495900000000 ] - [ 0.0019058100000000, 0.0000787600000000, -0.0000216200000000 ] - [ 0.0019058100000000, -0.0000787600000000, -0.0000216200000000 ] - [ 0.0012064900000000, 0.0000000000000000, 0.0000159500000000 ] - [ 0.0007980500000000, 0.0000000000000000, -0.0112771100000000 ] - [ -0.0021574400000000, 0.0004928000000000, -0.0000532900000000 ] - [ -0.0021574400000000, -0.0004928000000000, -0.0000532900000000 ] - [ -0.0058019700000000, -0.0038195600000000, -0.0012267000000000 ] - [ -0.0058019700000000, 0.0038195600000000, -0.0012267000000000 ] - [ -0.0004553100000000, 0.0000000000000000, -0.0007344200000000 ] - [ 0.0022140100000000, 0.0000000000000000, 0.0000864900000000 ] - [ 0.0006441400000000, -0.0010064400000000, 0.0004789300000000 ] - [ 0.0006441400000000, 0.0010064400000000, 0.0004789300000000 ] - [ 0.0051375000000000, 0.0160669100000000, 0.0011344200000000 ] - [ 0.0051375000000000, -0.0160669100000000, 0.0011344200000000 ] - [ 0.0006939300000000, 0.0000000000000000, 0.0005287200000000 ] - [ 0.0145251300000000, 0.0000000000000000, -0.0035516200000000 ] - [ -0.0008800100000000, -0.0027369800000000, -0.0007796400000000 ] - [ -0.0008800100000000, 0.0027369800000000, -0.0007796400000000 ] - [ 0.0025456500000000, 0.0018312200000000, -0.0015677800000000 ] - [ 0.0025456500000000, -0.0018312200000000, -0.0015677800000000 ] - [ 0.0018928300000000, 0.0000000000000000, -0.0005248000000000 ] - [ 0.0131807100000000, 0.0000000000000000, 0.0164669700000000 ] - [ -0.0024065100000000, -0.0017726400000000, 0.0013899300000000 ] - [ -0.0024065100000000, 0.0017726400000000, 0.0013899300000000 ] - [ 0.0004967000000000, 0.0000000000000000, 0.0022439400000000 ] - [ -0.0003012600000000, 0.0002637700000000, 0.0003861500000000 ] - [ -0.0003012600000000, -0.0002637700000000, 0.0003861500000000 ] - [ 0.0009909400000000, -0.0002048100000000, 0.0010543600000000 ] - [ 0.0009909400000000, 0.0002048100000000, 0.0010543600000000 ] - [ 0.0005853200000000, 0.0000000000000000, 0.0002865100000000 ] - [ 0.0043779900000000, 0.0000000000000000, -0.0028117000000000 ] - [ 0.0000130000000000, 0.0004310300000000, -0.0008039700000000 ] - [ 0.0000130000000000, -0.0004310300000000, -0.0008039700000000 ] - [ 0.0019102900000000, -0.0002217800000000, 0.0005196600000000 ] - [ 0.0019102900000000, 0.0002217800000000, 0.0005196600000000 ] - [ 0.0012775800000000, 0.0000000000000000, 0.0003801900000000 ] - [ 0.0386879300000000, 0.0000000000000000, 0.0307296300000000 ] - [ -0.0009377600000000, 0.0007254700000000, -0.0000412900000000 ] - [ -0.0009377600000000, -0.0007254700000000, -0.0000412900000000 ] - [ 0.0022144500000000, -0.0001276200000000, 0.0001140900000000 ] - [ 0.0022144500000000, 0.0001276200000000, 0.0001140900000000 ] - [ 0.0013163000000000, 0.0000000000000000, 0.0001451500000000 ] - [ -0.0059074900000000, 0.0000000000000000, -0.0051156000000000 ] - [ -0.0026513200000000, 0.0001286600000000, -0.0000586300000000 ] - [ -0.0026513200000000, -0.0001286600000000, -0.0000586300000000 ] - [ 0.0032047500000000, 0.0000020500000000, -0.0000497200000000 ] - [ 0.0032047500000000, -0.0000020500000000, -0.0000497200000000 ] - [ 0.0021901500000000, 0.0000000000000000, -0.0001696200000000 ] - [ 0.0029755300000000, 0.0000000000000000, -0.0009772400000000 ] - [ 0.0017360100000000, 0.0003483300000000, -0.0009327400000000 ] - [ 0.0017360100000000, -0.0003483300000000, -0.0009327400000000 ] - [ 0.0011235800000000, -0.0026595600000000, 0.0014394500000000 ] - [ 0.0011235800000000, 0.0026595600000000, 0.0014394500000000 ] - [ 0.0007351400000000, 0.0000000000000000, 0.0006759700000000 ] - [ 0.0033470400000000, 0.0000000000000000, 0.0000964000000000 ] - [ 0.0008198300000000, 0.0006616800000000, -0.0000135500000000 ] - [ 0.0008198300000000, -0.0006616800000000, -0.0000135500000000 ] - [ 0.0011000400000000, -0.0034809700000000, 0.0003455900000000 ] - [ 0.0011000400000000, 0.0034809700000000, 0.0003455900000000 ] - [ -0.0001836300000000, 0.0000000000000000, 0.0001637600000000 ] - [ 0.0044029700000000, 0.0000000000000000, 0.0021075500000000 ] - [ 0.0016741200000000, 0.0007627600000000, 0.0000559700000000 ] - [ 0.0016741200000000, -0.0007627600000000, 0.0000559700000000 ] - [ 0.0000572200000000, -0.0011771100000000, 0.0004747800000000 ] - [ 0.0000572200000000, 0.0011771100000000, 0.0004747800000000 ] - [ -0.0003962300000000, 0.0000000000000000, 0.0005694200000000 ]- atom: 76 displacement: [ -0.0099999983408567, 0.0000000000000000, -0.0000057604567923 ] forces: - [ -0.0031985800000000, 0.0066573800000000, 0.0054406700000000 ] - [ -0.0031985800000000, -0.0066573800000000, 0.0054406700000000 ] - [ -0.0005544200000000, 0.0000000000000000, 0.0010571500000000 ] - [ 0.0061931000000000, 0.0000000000000000, -0.0127386700000000 ] - [ -0.0011624400000000, -0.0013988300000000, -0.0025468600000000 ] - [ -0.0011624400000000, 0.0013988300000000, -0.0025468600000000 ] - [ 0.0069854100000000, 0.0070214800000000, -0.0005972600000000 ] - [ 0.0069854100000000, -0.0070214800000000, -0.0005972600000000 ] - [ 0.0026089800000000, 0.0000000000000000, 0.0004937400000000 ] - [ -0.1652232700000000, 0.0000000000000000, 0.0583498900000000 ] - [ -0.0058650700000000, -0.0056861000000000, -0.0003848900000000 ] - [ -0.0058650700000000, 0.0056861000000000, -0.0003848900000000 ] - [ 0.0011612400000000, 0.0014023500000000, -0.0008227200000000 ] - [ 0.0011612400000000, -0.0014023500000000, -0.0008227200000000 ] - [ 0.0003930500000000, 0.0000000000000000, -0.0003759300000000 ] - [ -0.0314704400000000, 0.0000000000000000, -0.0405654300000000 ] - [ -0.0036341700000000, 0.0028503300000000, 0.0002104300000000 ] - [ -0.0036341700000000, -0.0028503300000000, 0.0002104300000000 ] - [ 0.0055425600000000, 0.0000000000000000, -0.0006043700000000 ] - [ 0.0011224700000000, 0.0008515500000000, -0.0000221500000000 ] - [ 0.0011224700000000, -0.0008515500000000, -0.0000221500000000 ] - [ 0.0022516100000000, -0.0017422200000000, 0.0014163800000000 ] - [ 0.0022516100000000, 0.0017422200000000, 0.0014163800000000 ] - [ 0.0010952000000000, 0.0000000000000000, 0.0005105200000000 ] - [ 0.0175147300000000, 0.0000000000000000, -0.0040713900000000 ] - [ 0.0011052200000000, 0.0024560400000000, -0.0002647600000000 ] - [ 0.0011052200000000, -0.0024560400000000, -0.0002647600000000 ] - [ 0.0023442500000000, -0.0013019800000000, -0.0005106200000000 ] - [ 0.0023442500000000, 0.0013019800000000, -0.0005106200000000 ] - [ 0.0009715400000000, 0.0000000000000000, -0.0001168800000000 ] - [ -0.0021210200000000, 0.0000000000000000, 0.0109060800000000 ] - [ -0.0030771300000000, 0.0018853100000000, 0.0005304700000000 ] - [ -0.0030771300000000, -0.0018853100000000, 0.0005304700000000 ] - [ 0.0030749600000000, -0.0006812200000000, 0.0009737500000000 ] - [ 0.0030749600000000, 0.0006812200000000, 0.0009737500000000 ] - [ 0.0020359700000000, 0.0000000000000000, 0.0007881300000000 ] - [ -0.0081489100000000, 0.0000000000000000, -0.0055832700000000 ] - [ -0.0013380600000000, 0.0000291600000000, -0.0009085800000000 ] - [ -0.0013380600000000, -0.0000291600000000, -0.0009085800000000 ] - [ 0.0018588500000000, 0.0000131800000000, 0.0015822100000000 ] - [ 0.0018588500000000, -0.0000131800000000, 0.0015822100000000 ] - [ 0.0011872200000000, 0.0000000000000000, 0.0010261200000000 ] - [ 0.0005258800000000, 0.0000148700000000, -0.0012555900000000 ] - [ 0.0005258800000000, -0.0000148700000000, -0.0012555900000000 ] - [ 0.0004270200000000, 0.0000000000000000, -0.0010391100000000 ] - [ 0.0017478000000000, 0.0000558800000000, 0.0012143300000000 ] - [ 0.0017478000000000, -0.0000558800000000, 0.0012143300000000 ] - [ 0.0010161700000000, 0.0000000000000000, 0.0006393400000000 ] - [ 0.0019248100000000, 0.0000011500000000, 0.0015538000000000 ] - [ 0.0019248100000000, -0.0000011500000000, 0.0015538000000000 ] - [ 0.0014652200000000, 0.0000000000000000, 0.0012125600000000 ] - [ 0.0221632200000000, 0.0000000000000000, 0.0287315600000000 ] - [ -0.0013887300000000, 0.0005920200000000, -0.0007136000000000 ] - [ -0.0013887300000000, -0.0005920200000000, -0.0007136000000000 ] - [ 0.0016373900000000, 0.0000000000000000, -0.0047391900000000 ] - [ -0.0002053200000000, 0.0000679300000000, 0.0002501000000000 ] - [ -0.0002053200000000, -0.0000679300000000, 0.0002501000000000 ] - [ 0.0031814700000000, 0.0000000000000000, -0.0018466400000000 ] - [ -0.0009415500000000, 0.0003274200000000, -0.0008919100000000 ] - [ -0.0009415500000000, -0.0003274200000000, -0.0008919100000000 ] - [ -0.0007739600000000, -0.0004939700000000, -0.0014079300000000 ] - [ -0.0007739600000000, 0.0004939700000000, -0.0014079300000000 ] - [ -0.0005023200000000, 0.0000000000000000, -0.0001623200000000 ] - [ 0.0034049400000000, 0.0000000000000000, 0.0145834400000000 ] - [ 0.0010468100000000, -0.0001994800000000, 0.0019330000000000 ] - [ 0.0010468100000000, 0.0001994800000000, 0.0019330000000000 ] - [ -0.0010873300000000, -0.0009135200000000, -0.0024440700000000 ] - [ -0.0010873300000000, 0.0009135200000000, -0.0024440700000000 ] - [ -0.0005527900000000, 0.0000000000000000, -0.0011486000000000 ] - [ 0.0010880000000000, 0.0000000000000000, 0.0252639600000000 ] - [ 0.0012709000000000, 0.0004526300000000, 0.0015304100000000 ] - [ 0.0012709000000000, -0.0004526300000000, 0.0015304100000000 ] - [ -0.0032257300000000, -0.0005611500000000, 0.0008168200000000 ] - [ -0.0032257300000000, 0.0005611500000000, 0.0008168200000000 ] - [ -0.0014512100000000, 0.0000000000000000, -0.0000329200000000 ] - [ 0.2242571700000000, 0.0000000000000000, -0.0439347900000000 ] - [ 0.0036567400000000, -0.0006366600000000, -0.0011147500000000 ] - [ 0.0036567400000000, 0.0006366600000000, -0.0011147500000000 ] - [ -0.0031236800000000, -0.0000799000000000, 0.0003097000000000 ] - [ -0.0031236800000000, 0.0000799000000000, 0.0003097000000000 ] - [ -0.0024271600000000, 0.0000000000000000, 0.0002716600000000 ] - [ -0.0006915000000000, 0.0000000000000000, 0.0111678400000000 ] - [ 0.0023044000000000, -0.0004950800000000, -0.0000011800000000 ] - [ 0.0023044000000000, 0.0004950800000000, -0.0000011800000000 ] - [ 0.0078094600000000, 0.0040034800000000, -0.0005306000000000 ] - [ 0.0078094600000000, -0.0040034800000000, -0.0005306000000000 ] - [ 0.0023840100000000, 0.0000000000000000, -0.0011154500000000 ] - [ -0.0011192800000000, 0.0000000000000000, 0.0011462300000000 ] - [ 0.0004584100000000, 0.0010067600000000, 0.0007487000000000 ] - [ 0.0004584100000000, -0.0010067600000000, 0.0007487000000000 ] - [ -0.0044951700000000, -0.0162618000000000, -0.0010653200000000 ] - [ -0.0044951700000000, 0.0162618000000000, -0.0010653200000000 ] - [ -0.0000439300000000, 0.0000000000000000, -0.0004370400000000 ] - [ -0.0163101900000000, 0.0000000000000000, 0.0034791000000000 ] - [ -0.0006853300000000, 0.0027554100000000, 0.0006689700000000 ] - [ -0.0006853300000000, -0.0027554100000000, 0.0006689700000000 ] - [ 0.0007192800000000, -0.0018465600000000, 0.0012617700000000 ] - [ 0.0007192800000000, 0.0018465600000000, 0.0012617700000000 ] - [ 0.0013807800000000, 0.0000000000000000, 0.0002076300000000 ] - [ -0.0154457800000000, 0.0000000000000000, -0.0156987800000000 ] - [ 0.0003348400000000, 0.0017778000000000, -0.0004089300000000 ] - [ 0.0003348400000000, -0.0017778000000000, -0.0004089300000000 ] - [ -0.0009953500000000, 0.0000000000000000, -0.0020257700000000 ] - [ -0.0002126600000000, -0.0002622500000000, -0.0002103900000000 ] - [ -0.0002126600000000, 0.0002622500000000, -0.0002103900000000 ] - [ -0.0009838100000000, 0.0002031400000000, -0.0021533100000000 ] - [ -0.0009838100000000, -0.0002031400000000, -0.0021533100000000 ] - [ -0.0005770800000000, 0.0000000000000000, -0.0013832800000000 ] - [ -0.0042424600000000, 0.0000000000000000, 0.0027397100000000 ] - [ 0.0001152700000000, -0.0004302400000000, 0.0007782100000000 ] - [ 0.0001152700000000, 0.0004302400000000, 0.0007782100000000 ] - [ -0.0015484500000000, 0.0002198000000000, -0.0006949200000000 ] - [ -0.0015484500000000, -0.0002198000000000, -0.0006949200000000 ] - [ -0.0009130500000000, 0.0000000000000000, -0.0005560200000000 ] - [ -0.0380171400000000, 0.0000000000000000, -0.0297891800000000 ] - [ 0.0011486300000000, -0.0007257700000000, 0.0004887100000000 ] - [ 0.0011486300000000, 0.0007257700000000, 0.0004887100000000 ] - [ -0.0024955500000000, 0.0001258600000000, -0.0003542000000000 ] - [ -0.0024955500000000, -0.0001258600000000, -0.0003542000000000 ] - [ -0.0015950900000000, 0.0000000000000000, -0.0003844400000000 ] - [ 0.0047162900000000, 0.0000000000000000, 0.0054558100000000 ] - [ 0.0014181900000000, -0.0001276100000000, 0.0003517200000000 ] - [ 0.0014181900000000, 0.0001276100000000, 0.0003517200000000 ] - [ -0.0030362600000000, -0.0000033300000000, -0.0000106000000000 ] - [ -0.0030362600000000, 0.0000033300000000, -0.0000106000000000 ] - [ -0.0020223000000000, 0.0000000000000000, 0.0001110300000000 ] - [ -0.0010589600000000, 0.0000000000000000, -0.0008724600000000 ] - [ 0.0001783400000000, -0.0003431600000000, -0.0009173200000000 ] - [ 0.0001783400000000, 0.0003431600000000, -0.0009173200000000 ] - [ -0.0000281200000000, 0.0026393000000000, -0.0002127200000000 ] - [ -0.0000281200000000, -0.0026393000000000, -0.0002127200000000 ] - [ 0.0003584700000000, 0.0000000000000000, 0.0005490000000000 ] - [ -0.0026914300000000, 0.0000000000000000, -0.0000021200000000 ] - [ -0.0001729500000000, -0.0006581700000000, 0.0001092300000000 ] - [ -0.0001729500000000, 0.0006581700000000, 0.0001092300000000 ] - [ -0.0026680600000000, 0.0034627900000000, -0.0004625100000000 ] - [ -0.0026680600000000, -0.0034627900000000, -0.0004625100000000 ] - [ -0.0013857300000000, 0.0000000000000000, -0.0002807800000000 ] - [ -0.0011103200000000, 0.0000000000000000, -0.0024167800000000 ] - [ 0.0015926800000000, -0.0007602200000000, -0.0003792700000000 ] - [ 0.0015926800000000, 0.0007602200000000, -0.0003792700000000 ] - [ -0.0021408300000000, 0.0011753200000000, 0.0005198400000000 ] - [ -0.0021408300000000, -0.0011753200000000, 0.0005198400000000 ] - [ -0.0016864400000000, 0.0000000000000000, 0.0004267100000000 ]- atom: 76 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0040647400000000, 0.0009065300000000, -0.0014945400000000 ] - [ 0.0044598000000000, 0.0009431900000000, 0.0016880400000000 ] - [ 0.0001866300000000, -0.0018054800000000, 0.0000947000000000 ] - [ -0.0001710900000000, 0.0011110600000000, -0.0001294600000000 ] - [ 0.0008588000000000, -0.0005224000000000, 0.0004739500000000 ] - [ -0.0011621900000000, -0.0005320200000000, -0.0007159000000000 ] - [ -0.0006715600000000, 0.0007784500000000, 0.0016237600000000 ] - [ 0.0027539400000000, 0.0008414100000000, -0.0015615200000000 ] - [ 0.0010376100000000, -0.0014391600000000, 0.0000399200000000 ] - [ -0.0000983700000000, 0.0170078500000000, -0.0004665000000000 ] - [ 0.0010871500000000, -0.0035523000000000, -0.0010253100000000 ] - [ -0.0023508600000000, -0.0035413100000000, 0.0005666200000000 ] - [ -0.0016312200000000, 0.0005223200000000, -0.0008785500000000 ] - [ -0.0012122200000000, 0.0005352900000000, 0.0006304000000000 ] - [ -0.0014206000000000, -0.0010162700000000, -0.0001289700000000 ] - [ -0.0003157200000000, 0.0116656700000000, 0.0007566300000000 ] - [ -0.0006711600000000, -0.0052330200000000, 0.0019767400000000 ] - [ -0.0000370700000000, -0.0052110900000000, -0.0008088500000000 ] - [ 0.0001826800000000, 0.0002909800000000, 0.0000937200000000 ] - [ -0.0002107600000000, -0.0001431000000000, 0.0001070500000000 ] - [ 0.0005745000000000, -0.0001437900000000, 0.0000839400000000 ] - [ -0.0001705600000000, 0.0001411200000000, -0.0000875900000000 ] - [ -0.0001460500000000, 0.0001429400000000, -0.0001604800000000 ] - [ -0.0001593200000000, -0.0002828000000000, -0.0001246000000000 ] - [ 0.0010456200000000, 0.0009877600000000, 0.0000343000000000 ] - [ 0.0001559200000000, -0.0003967200000000, -0.0000823600000000 ] - [ 0.0019065300000000, -0.0003965600000000, 0.0001603000000000 ] - [ -0.0006732800000000, 0.0001355100000000, -0.0002754500000000 ] - [ -0.0006073000000000, 0.0001380300000000, -0.0001774700000000 ] - [ -0.0006394600000000, -0.0002726300000000, -0.0002264600000000 ] - [ -0.0014170800000000, 0.0006071300000000, -0.0001215700000000 ] - [ -0.0020226300000000, -0.0002782400000000, -0.0004701900000000 ] - [ -0.0008237900000000, -0.0002816800000000, 0.0002098700000000 ] - [ -0.0006311000000000, 0.0001328100000000, 0.0005744800000000 ] - [ -0.0000805500000000, 0.0001347900000000, 0.0005768300000000 ] - [ -0.0003553600000000, -0.0002653700000000, 0.0005762200000000 ] - [ 0.0003309000000000, 0.0005889900000000, 0.0003340900000000 ] - [ 0.0001239600000000, -0.0001008300000000, 0.0000850300000000 ] - [ 0.0005202400000000, -0.0001007300000000, 0.0005694300000000 ] - [ -0.0001567900000000, 0.0000209800000000, 0.0000302700000000 ] - [ 0.0001753600000000, 0.0000211100000000, 0.0003038800000000 ] - [ 0.0000107100000000, -0.0000192100000000, 0.0001680800000000 ] - [ 0.0000058100000000, 0.0000122700000000, -0.0001349000000000 ] - [ 0.0001164800000000, 0.0000123700000000, -0.0003144700000000 ] - [ 0.0000612500000000, -0.0000242600000000, -0.0002250900000000 ] - [ -0.0003884400000000, 0.0000183900000000, -0.0004115500000000 ] - [ 0.0001629300000000, 0.0000186100000000, 0.0000564400000000 ] - [ -0.0001117200000000, -0.0000354300000000, -0.0001768800000000 ] - [ 0.0002005400000000, 0.0000071500000000, 0.0002499800000000 ] - [ 0.0004447100000000, 0.0000071900000000, 0.0004062400000000 ] - [ 0.0003227700000000, -0.0000193600000000, 0.0003282800000000 ] - [ 0.0000256100000000, 0.0092913500000000, 0.0001957300000000 ] - [ -0.0004228100000000, -0.0004782700000000, -0.0001833700000000 ] - [ 0.0004390700000000, -0.0004733700000000, 0.0005150900000000 ] - [ 0.0000632000000000, -0.0002754400000000, -0.0002295900000000 ] - [ -0.0000612500000000, -0.0000267800000000, 0.0001227700000000 ] - [ 0.0001824200000000, -0.0000272500000000, -0.0005685900000000 ] - [ -0.0001051300000000, 0.0011790000000000, -0.0001738700000000 ] - [ -0.0004727600000000, -0.0001500900000000, -0.0003070700000000 ] - [ 0.0002452400000000, -0.0001491100000000, -0.0000482200000000 ] - [ 0.0005120800000000, -0.0001493200000000, 0.0017610800000000 ] - [ -0.0010283300000000, -0.0001526800000000, -0.0015968100000000 ] - [ -0.0002542400000000, 0.0002238900000000, 0.0000966700000000 ] - [ 0.0000186300000000, 0.0015944700000000, -0.0004909400000000 ] - [ -0.0003220000000000, 0.0007110900000000, -0.0019728600000000 ] - [ 0.0003218500000000, 0.0007091600000000, 0.0008473600000000 ] - [ 0.0011619800000000, -0.0000380800000000, -0.0001711000000000 ] - [ -0.0010310400000000, -0.0000430700000000, 0.0001566300000000 ] - [ 0.0000696900000000, 0.0002256200000000, -0.0000130800000000 ] - [ 0.0001780400000000, -0.0019229700000000, -0.0001131300000000 ] - [ -0.0001112100000000, 0.0003573300000000, 0.0005080600000000 ] - [ 0.0004642400000000, 0.0003570100000000, -0.0006764800000000 ] - [ 0.0007064700000000, -0.0000418800000000, -0.0001418300000000 ] - [ -0.0004862600000000, -0.0000475800000000, 0.0005954300000000 ] - [ 0.0001081900000000, 0.0001661000000000, 0.0002251800000000 ] - [ -0.0006188300000000, -0.0398233900000000, -0.0000177900000000 ] - [ -0.0007747600000000, 0.0014371200000000, 0.0000564900000000 ] - [ 0.0004835300000000, 0.0014285600000000, -0.0002946800000000 ] - [ -0.0003525400000000, -0.0000370800000000, 0.0001279300000000 ] - [ -0.0008721200000000, -0.0000370400000000, 0.0001589900000000 ] - [ -0.0006136900000000, 0.0000687300000000, 0.0001437900000000 ] - [ 0.0000683600000000, -0.0026943700000000, -0.0000175800000000 ] - [ 0.0005822900000000, 0.0003039800000000, -0.0003296100000000 ] - [ -0.0004136000000000, 0.0003029000000000, 0.0002677000000000 ] - [ 0.0060422000000000, 0.0064354500000000, 0.0066755200000000 ] - [ -0.0042019300000000, 0.0065019600000000, -0.0086336800000000 ] - [ 0.0009519900000000, 0.0026259500000000, -0.0009252300000000 ] - [ 0.0005550200000000, -0.0011008400000000, 0.0006104500000000 ] - [ 0.0002338300000000, 0.0005337500000000, 0.0006061800000000 ] - [ 0.0008596500000000, 0.0005428400000000, 0.0006180600000000 ] - [ 0.0077205100000000, 0.0017918500000000, -0.0012452100000000 ] - [ -0.0071902200000000, 0.0018203300000000, 0.0013672000000000 ] - [ 0.0003226600000000, 0.0020019100000000, 0.0000493300000000 ] - [ -0.0007158600000000, -0.0009655800000000, -0.0000654400000000 ] - [ -0.0013535000000000, 0.0010107900000000, -0.0000156700000000 ] - [ -0.0002242200000000, 0.0010198900000000, -0.0001023500000000 ] - [ 0.0015960200000000, -0.0005696400000000, -0.0002884700000000 ] - [ 0.0016760800000000, -0.0005861700000000, -0.0000348600000000 ] - [ 0.0016334900000000, 0.0010521200000000, -0.0001610100000000 ] - [ -0.0010049500000000, -0.0042661500000000, 0.0005238000000000 ] - [ -0.0015128900000000, 0.0011068800000000, 0.0003771800000000 ] - [ -0.0005790500000000, 0.0011096700000000, 0.0006182000000000 ] - [ -0.0002540500000000, -0.0001067800000000, 0.0000931800000000 ] - [ -0.0001476000000000, 0.0000353300000000, 0.0001811300000000 ] - [ -0.0003634100000000, 0.0000355300000000, -0.0000046100000000 ] - [ 0.0000311100000000, -0.0000253500000000, -0.0005399200000000 ] - [ -0.0000254700000000, -0.0000256700000000, -0.0005600700000000 ] - [ 0.0000039300000000, 0.0000515300000000, -0.0005475700000000 ] - [ 0.0000700800000000, -0.0004353400000000, -0.0000155300000000 ] - [ 0.0005090200000000, 0.0001356500000000, 0.0000642000000000 ] - [ -0.0003687100000000, 0.0001351700000000, -0.0000848600000000 ] - [ 0.0002423300000000, -0.0000257700000000, -0.0000431800000000 ] - [ 0.0001169000000000, -0.0000259400000000, -0.0001337200000000 ] - [ 0.0001818200000000, 0.0000523300000000, -0.0000890000000000 ] - [ 0.0000613500000000, -0.0043122400000000, 0.0001883100000000 ] - [ 0.0008497900000000, 0.0003485800000000, 0.0005507400000000 ] - [ -0.0006229200000000, 0.0003465600000000, -0.0000959800000000 ] - [ -0.0000131700000000, -0.0000295800000000, -0.0000472800000000 ] - [ -0.0002687200000000, -0.0000293400000000, -0.0001909700000000 ] - [ -0.0001405800000000, 0.0000548200000000, -0.0001196200000000 ] - [ -0.0006223500000000, -0.0001462000000000, 0.0001443900000000 ] - [ -0.0001728800000000, 0.0000837300000000, 0.0000664700000000 ] - [ -0.0010490900000000, 0.0000836100000000, 0.0002191700000000 ] - [ 0.0004419400000000, -0.0000264000000000, 0.0000299700000000 ] - [ -0.0002755800000000, -0.0000259200000000, -0.0000880500000000 ] - [ 0.0000818500000000, 0.0000497400000000, -0.0000289800000000 ] - [ 0.0009553900000000, -0.0002669700000000, -0.0009247800000000 ] - [ 0.0010375300000000, 0.0001318600000000, -0.0009285000000000 ] - [ 0.0008781700000000, 0.0001321800000000, -0.0009217500000000 ] - [ 0.0004831600000000, -0.0003202900000000, 0.0005937000000000 ] - [ 0.0006124500000000, -0.0003250400000000, 0.0006321800000000 ] - [ 0.0005475300000000, 0.0005216700000000, 0.0006130700000000 ] - [ 0.0003227600000000, -0.0002354600000000, 0.0000479200000000 ] - [ 0.0004747400000000, 0.0001093200000000, 0.0000677500000000 ] - [ 0.0001760800000000, 0.0001111500000000, 0.0000289200000000 ] - [ -0.0009015800000000, -0.0002818200000000, -0.0001151600000000 ] - [ -0.0006669900000000, -0.0002853300000000, -0.0000009000000000 ] - [ -0.0007837200000000, 0.0005093300000000, -0.0000583900000000 ] - [ 0.0016320600000000, -0.0001711400000000, -0.0001613400000000 ] - [ 0.0017720100000000, 0.0001015200000000, -0.0000928100000000 ] - [ 0.0014976000000000, 0.0001053300000000, -0.0002282700000000 ] - [ -0.0010238900000000, -0.0001323300000000, 0.0005159600000000 ] - [ -0.0010603200000000, -0.0001388000000000, 0.0004793100000000 ] - [ -0.0010416000000000, 0.0002670600000000, 0.0004979800000000 ]- atom: 76 displacement: [ -0.0020604768976038, 0.0000000000000000, 0.0097854195083523 ] forces: - [ -0.0098129600000000, -0.0024530800000000, 0.0062015900000000 ] - [ -0.0098129600000000, 0.0024530800000000, 0.0062015900000000 ] - [ -0.0020686300000000, 0.0000000000000000, 0.0009953200000000 ] - [ 0.0066472700000000, 0.0000000000000000, -0.0253608500000000 ] - [ -0.0001549000000000, -0.0004761400000000, -0.0041686500000000 ] - [ -0.0001549000000000, 0.0004761400000000, -0.0041686500000000 ] - [ 0.0065592300000000, 0.0068921900000000, 0.0007412700000000 ] - [ 0.0065592300000000, -0.0068921900000000, 0.0007412700000000 ] - [ 0.0017026500000000, 0.0000000000000000, 0.0004505500000000 ] - [ -0.0693808600000000, 0.0000000000000000, 0.0467280800000000 ] - [ -0.0038794600000000, -0.0063947700000000, 0.0011381000000000 ] - [ -0.0038794600000000, 0.0063947700000000, 0.0011381000000000 ] - [ -0.0021449900000000, 0.0002071800000000, -0.0037384700000000 ] - [ -0.0021449900000000, -0.0002071800000000, -0.0037384700000000 ] - [ -0.0018639700000000, 0.0000000000000000, -0.0010238200000000 ] - [ -0.0176402200000000, 0.0000000000000000, -0.0067224200000000 ] - [ 0.0013532500000000, 0.0093541700000000, 0.0015737000000000 ] - [ 0.0013532500000000, -0.0093541700000000, 0.0015737000000000 ] - [ 0.0016843600000000, 0.0000000000000000, -0.0002726500000000 ] - [ 0.0007058400000000, 0.0000288800000000, 0.0000899900000000 ] - [ 0.0007058400000000, -0.0000288800000000, 0.0000899900000000 ] - [ -0.0003964800000000, 0.0004850500000000, -0.0003635400000000 ] - [ -0.0003964800000000, -0.0004850500000000, -0.0003635400000000 ] - [ -0.0001462300000000, 0.0000000000000000, -0.0001672600000000 ] - [ -0.0042082400000000, 0.0000000000000000, 0.0067260500000000 ] - [ 0.0012026500000000, -0.0004400500000000, 0.0008189700000000 ] - [ 0.0012026500000000, 0.0004400500000000, 0.0008189700000000 ] - [ -0.0005578500000000, 0.0002217100000000, -0.0000130600000000 ] - [ -0.0005578500000000, -0.0002217100000000, -0.0000130600000000 ] - [ -0.0005749300000000, 0.0000000000000000, -0.0001973200000000 ] - [ -0.0007469700000000, 0.0000000000000000, -0.0057663900000000 ] - [ -0.0009296300000000, -0.0005297400000000, -0.0006385800000000 ] - [ -0.0009296300000000, 0.0005297400000000, -0.0006385800000000 ] - [ -0.0001825000000000, 0.0000527700000000, 0.0006952200000000 ] - [ -0.0001825000000000, -0.0000527700000000, 0.0006952200000000 ] - [ -0.0003772100000000, 0.0000000000000000, 0.0006316600000000 ] - [ -0.0055701600000000, 0.0000000000000000, -0.0058711200000000 ] - [ 0.0000653200000000, -0.0001313100000000, -0.0000348400000000 ] - [ 0.0000653200000000, 0.0001313100000000, -0.0000348400000000 ] - [ 0.0003531000000000, 0.0000138900000000, 0.0006083600000000 ] - [ 0.0003531000000000, -0.0000138900000000, 0.0006083600000000 ] - [ 0.0000258300000000, 0.0000000000000000, 0.0002209100000000 ] - [ -0.0000635400000000, 0.0000014400000000, -0.0000896200000000 ] - [ -0.0000635400000000, -0.0000014400000000, -0.0000896200000000 ] - [ 0.0000041400000000, 0.0000000000000000, -0.0001292800000000 ] - [ 0.0000770400000000, 0.0000051600000000, 0.0001175800000000 ] - [ 0.0000770400000000, -0.0000051600000000, 0.0001175800000000 ] - [ -0.0001324700000000, 0.0000000000000000, -0.0001470900000000 ] - [ 0.0001877000000000, 0.0000074300000000, 0.0001545600000000 ] - [ 0.0001877000000000, -0.0000074300000000, 0.0001545600000000 ] - [ 0.0002293100000000, 0.0000000000000000, 0.0002285800000000 ] - [ -0.0167898200000000, 0.0000000000000000, -0.0026669000000000 ] - [ 0.0001125400000000, -0.0001954800000000, 0.0004183200000000 ] - [ 0.0001125400000000, 0.0001954800000000, 0.0004183200000000 ] - [ 0.0036413500000000, 0.0000000000000000, -0.0106723600000000 ] - [ 0.0004635000000000, 0.0001242400000000, -0.0013769400000000 ] - [ 0.0004635000000000, -0.0001242400000000, -0.0013769400000000 ] - [ 0.0078363800000000, 0.0000000000000000, 0.0037822600000000 ] - [ 0.0006620500000000, 0.0002004100000000, 0.0004762500000000 ] - [ 0.0006620500000000, -0.0002004100000000, 0.0004762500000000 ] - [ 0.0010817900000000, 0.0001587100000000, 0.0024723200000000 ] - [ 0.0010817900000000, -0.0001587100000000, 0.0024723200000000 ] - [ 0.0000868000000000, 0.0000000000000000, 0.0007019700000000 ] - [ 0.0133755200000000, 0.0000000000000000, 0.0425763400000000 ] - [ 0.0009292200000000, -0.0011854500000000, 0.0035734300000000 ] - [ 0.0009292200000000, 0.0011854500000000, 0.0035734300000000 ] - [ 0.0015551200000000, 0.0000103500000000, -0.0042389800000000 ] - [ 0.0015551200000000, -0.0000103500000000, -0.0042389800000000 ] - [ 0.0006232800000000, 0.0000000000000000, -0.0011126200000000 ] - [ -0.0129771400000000, 0.0000000000000000, 0.0283018900000000 ] - [ -0.0005480600000000, 0.0006638000000000, 0.0014507100000000 ] - [ -0.0005480600000000, -0.0006638000000000, 0.0014507100000000 ] - [ -0.0017000700000000, -0.0005593500000000, 0.0017724200000000 ] - [ -0.0017000700000000, 0.0005593500000000, 0.0017724200000000 ] - [ -0.0000837200000000, 0.0000000000000000, 0.0005762800000000 ] - [ 0.0878565400000000, 0.0000000000000000, -0.1200169700000000 ] - [ 0.0016032800000000, -0.0003080500000000, -0.0038661800000000 ] - [ 0.0016032800000000, 0.0003080500000000, -0.0038661800000000 ] - [ -0.0002757900000000, -0.0000360600000000, 0.0003130000000000 ] - [ -0.0002757900000000, 0.0000360600000000, 0.0003130000000000 ] - [ -0.0003888100000000, 0.0000000000000000, 0.0001696400000000 ] - [ -0.0151097200000000, 0.0000000000000000, 0.0149272800000000 ] - [ -0.0011671700000000, -0.0005929700000000, 0.0002712000000000 ] - [ -0.0011671700000000, 0.0005929700000000, 0.0002712000000000 ] - [ 0.0117693200000000, 0.0207187700000000, 0.0046628500000000 ] - [ 0.0117693200000000, -0.0207187700000000, 0.0046628500000000 ] - [ 0.0026693900000000, 0.0000000000000000, -0.0013784600000000 ] - [ 0.0001051900000000, 0.0000000000000000, 0.0015757100000000 ] - [ 0.0007757300000000, 0.0000607700000000, 0.0010345700000000 ] - [ 0.0007757300000000, -0.0000607700000000, 0.0010345700000000 ] - [ -0.0053853200000000, -0.0159856800000000, -0.0035865800000000 ] - [ -0.0053853200000000, 0.0159856800000000, -0.0035865800000000 ] - [ -0.0001726000000000, 0.0000000000000000, -0.0009379600000000 ] - [ -0.0186990000000000, 0.0000000000000000, 0.0060453600000000 ] - [ -0.0008792600000000, 0.0022103300000000, 0.0007282100000000 ] - [ -0.0008792600000000, -0.0022103300000000, 0.0007282100000000 ] - [ 0.0011477100000000, -0.0003462700000000, 0.0017976000000000 ] - [ 0.0011477100000000, 0.0003462700000000, 0.0017976000000000 ] - [ 0.0017040000000000, 0.0000000000000000, 0.0004479100000000 ] - [ 0.0131186500000000, 0.0000000000000000, -0.0034618500000000 ] - [ 0.0000870700000000, -0.0008908100000000, -0.0016046100000000 ] - [ 0.0000870700000000, 0.0008908100000000, -0.0016046100000000 ] - [ -0.0004054000000000, 0.0000000000000000, 0.0015899400000000 ] - [ -0.0003923000000000, 0.0000159900000000, 0.0002961600000000 ] - [ -0.0003923000000000, -0.0000159900000000, 0.0002961600000000 ] - [ 0.0000432700000000, -0.0000337800000000, -0.0003796700000000 ] - [ 0.0000432700000000, 0.0000337800000000, -0.0003796700000000 ] - [ 0.0000102200000000, 0.0000000000000000, -0.0005232600000000 ] - [ -0.0035023700000000, 0.0000000000000000, -0.0044123400000000 ] - [ -0.0005789500000000, -0.0000854900000000, -0.0006743400000000 ] - [ -0.0005789500000000, 0.0000854900000000, -0.0006743400000000 ] - [ 0.0002983900000000, -0.0000571600000000, -0.0000304500000000 ] - [ 0.0002983900000000, 0.0000571600000000, -0.0000304500000000 ] - [ 0.0002235000000000, 0.0000000000000000, -0.0000344300000000 ] - [ 0.0232129500000000, 0.0000000000000000, 0.0105797700000000 ] - [ 0.0001270000000000, 0.0002184600000000, 0.0000769700000000 ] - [ 0.0001270000000000, -0.0002184600000000, 0.0000769700000000 ] - [ -0.0003985300000000, -0.0000445600000000, -0.0004321100000000 ] - [ -0.0003985300000000, 0.0000445600000000, -0.0004321100000000 ] - [ -0.0001825400000000, 0.0000000000000000, -0.0001725600000000 ] - [ -0.0007293000000000, 0.0000000000000000, 0.0096200300000000 ] - [ -0.0009898600000000, 0.0000353000000000, 0.0010407500000000 ] - [ -0.0009898600000000, -0.0000353000000000, 0.0010407500000000 ] - [ -0.0000102900000000, -0.0000076100000000, -0.0002608400000000 ] - [ -0.0000102900000000, 0.0000076100000000, -0.0002608400000000 ] - [ 0.0001591100000000, 0.0000000000000000, -0.0001052100000000 ] - [ 0.0007055600000000, 0.0000000000000000, -0.0009167200000000 ] - [ 0.0008222900000000, 0.0000975700000000, -0.0009218900000000 ] - [ 0.0008222900000000, -0.0000975700000000, -0.0009218900000000 ] - [ 0.0006341800000000, -0.0006459300000000, 0.0010509300000000 ] - [ 0.0006341800000000, 0.0006459300000000, 0.0010509300000000 ] - [ 0.0004894500000000, 0.0000000000000000, 0.0006728400000000 ] - [ 0.0006900600000000, 0.0000000000000000, -0.0003315600000000 ] - [ 0.0002235700000000, 0.0001681700000000, -0.0000660700000000 ] - [ 0.0002235700000000, -0.0001681700000000, -0.0000660700000000 ] - [ -0.0004917700000000, -0.0008400000000000, -0.0002342300000000 ] - [ -0.0004917700000000, 0.0008400000000000, -0.0002342300000000 ] - [ -0.0007838700000000, 0.0000000000000000, -0.0000969100000000 ] - [ 0.0025129900000000, 0.0000000000000000, 0.0004295400000000 ] - [ 0.0015420400000000, 0.0001987500000000, -0.0001848300000000 ] - [ 0.0015420400000000, -0.0001987500000000, -0.0001848300000000 ] - [ -0.0012665900000000, 0.0000339600000000, 0.0003652000000000 ] - [ -0.0012665900000000, -0.0000339600000000, 0.0003652000000000 ] - [ -0.0011322700000000, 0.0000000000000000, 0.0004489300000000 ]- atom: 76 displacement: [ 0.0020604768976038, 0.0000000000000000, -0.0097854195083523 ] forces: - [ 0.0102530000000000, 0.0024260800000000, -0.0060974500000000 ] - [ 0.0102530000000000, -0.0024260800000000, -0.0060974500000000 ] - [ 0.0024513800000000, 0.0000000000000000, -0.0008234800000000 ] - [ -0.0069058600000000, 0.0000000000000000, 0.0253780000000000 ] - [ -0.0001719200000000, 0.0004601300000000, 0.0039528000000000 ] - [ -0.0001719200000000, -0.0004601300000000, 0.0039528000000000 ] - [ -0.0045492000000000, -0.0069142300000000, -0.0006271500000000 ] - [ -0.0045492000000000, 0.0069142300000000, -0.0006271500000000 ] - [ 0.0003609900000000, 0.0000000000000000, -0.0003677800000000 ] - [ 0.0640719400000000, 0.0000000000000000, -0.0464417300000000 ] - [ 0.0026045300000000, 0.0064759600000000, -0.0015825000000000 ] - [ 0.0026045300000000, -0.0064759600000000, -0.0015825000000000 ] - [ -0.0006700800000000, -0.0001834900000000, 0.0034984700000000 ] - [ -0.0006700800000000, 0.0001834900000000, 0.0034984700000000 ] - [ -0.0009703000000000, 0.0000000000000000, 0.0007684500000000 ] - [ 0.0166008100000000, 0.0000000000000000, 0.0050126300000000 ] - [ -0.0020958900000000, -0.0094457200000000, -0.0004572000000000 ] - [ -0.0020958900000000, 0.0094457200000000, -0.0004572000000000 ] - [ -0.0013259800000000, 0.0000000000000000, 0.0004469000000000 ] - [ -0.0003372000000000, -0.0000297700000000, 0.0000982000000000 ] - [ -0.0003372000000000, 0.0000297700000000, 0.0000982000000000 ] - [ 0.0000851200000000, -0.0004844500000000, 0.0001217000000000 ] - [ 0.0000851200000000, 0.0004844500000000, 0.0001217000000000 ] - [ -0.0001685500000000, 0.0000000000000000, -0.0000800400000000 ] - [ 0.0063713100000000, 0.0000000000000000, -0.0066873000000000 ] - [ 0.0008788500000000, 0.0004497700000000, -0.0007463100000000 ] - [ 0.0008788500000000, -0.0004497700000000, -0.0007463100000000 ] - [ -0.0007137500000000, -0.0002233800000000, -0.0004415100000000 ] - [ -0.0007137500000000, 0.0002233800000000, -0.0004415100000000 ] - [ -0.0006996700000000, 0.0000000000000000, -0.0002564700000000 ] - [ -0.0021442700000000, 0.0000000000000000, 0.0055850700000000 ] - [ -0.0019181300000000, 0.0005321200000000, 0.0003931600000000 ] - [ -0.0019181300000000, -0.0005321200000000, 0.0003931600000000 ] - [ -0.0005230300000000, -0.0000526600000000, 0.0004543400000000 ] - [ -0.0005230300000000, 0.0000526600000000, 0.0004543400000000 ] - [ -0.0003290000000000, 0.0000000000000000, 0.0005204500000000 ] - [ 0.0062177800000000, 0.0000000000000000, 0.0065469400000000 ] - [ 0.0005808000000000, 0.0001315300000000, 0.0006942000000000 ] - [ 0.0005808000000000, -0.0001315300000000, 0.0006942000000000 ] - [ -0.0003318700000000, -0.0000139100000000, -0.0002742600000000 ] - [ -0.0003318700000000, 0.0000139100000000, -0.0002742600000000 ] - [ -0.0000025500000000, 0.0000000000000000, 0.0001158100000000 ] - [ 0.0001885700000000, -0.0000012700000000, -0.0003660900000000 ] - [ 0.0001885700000000, 0.0000012700000000, -0.0003660900000000 ] - [ 0.0001198400000000, 0.0000000000000000, -0.0003243300000000 ] - [ -0.0003016600000000, -0.0000051900000000, -0.0004742200000000 ] - [ -0.0003016600000000, 0.0000051900000000, -0.0004742200000000 ] - [ -0.0000901300000000, 0.0000000000000000, -0.0002070600000000 ] - [ 0.0004636800000000, -0.0000071900000000, 0.0005071700000000 ] - [ 0.0004636800000000, 0.0000071900000000, 0.0005071700000000 ] - [ 0.0004198000000000, 0.0000000000000000, 0.0004306100000000 ] - [ 0.0170277900000000, 0.0000000000000000, 0.0032303700000000 ] - [ -0.0000929600000000, 0.0002045900000000, -0.0000835700000000 ] - [ -0.0000929600000000, -0.0002045900000000, -0.0000835700000000 ] - [ -0.0035732900000000, 0.0000000000000000, 0.0103832700000000 ] - [ -0.0003452700000000, -0.0001269200000000, 0.0009381400000000 ] - [ -0.0003452700000000, 0.0001269200000000, 0.0009381400000000 ] - [ -0.0081520100000000, 0.0000000000000000, -0.0042430500000000 ] - [ -0.0008947700000000, -0.0002003200000000, -0.0008413500000000 ] - [ -0.0008947700000000, 0.0002003200000000, -0.0008413500000000 ] - [ -0.0016014600000000, -0.0001601200000000, -0.0022983700000000 ] - [ -0.0016014600000000, 0.0001601200000000, -0.0022983700000000 ] - [ -0.0005947500000000, 0.0000000000000000, -0.0005032900000000 ] - [ -0.0135549400000000, 0.0000000000000000, -0.0443047300000000 ] - [ -0.0009298000000000, 0.0011970700000000, -0.0047093700000000 ] - [ -0.0009298000000000, -0.0011970700000000, -0.0047093700000000 ] - [ -0.0014261300000000, -0.0000087200000000, 0.0042429400000000 ] - [ -0.0014261300000000, 0.0000087200000000, 0.0042429400000000 ] - [ -0.0004864200000000, 0.0000000000000000, 0.0010931300000000 ] - [ 0.0132727000000000, 0.0000000000000000, -0.0284765900000000 ] - [ 0.0009203500000000, -0.0006692000000000, -0.0016526500000000 ] - [ 0.0009203500000000, 0.0006692000000000, -0.0016526500000000 ] - [ 0.0019319600000000, 0.0005608200000000, -0.0013426900000000 ] - [ 0.0019319600000000, -0.0005608200000000, -0.0013426900000000 ] - [ 0.0003021800000000, 0.0000000000000000, -0.0001326300000000 ] - [ -0.0840630400000000, 0.0000000000000000, 0.1223378400000000 ] - [ -0.0018847000000000, 0.0002937400000000, 0.0036686800000000 ] - [ -0.0018847000000000, -0.0002937400000000, 0.0036686800000000 ] - [ -0.0009618100000000, 0.0000341600000000, -0.0000267800000000 ] - [ -0.0009618100000000, -0.0000341600000000, -0.0000267800000000 ] - [ -0.0008443800000000, 0.0000000000000000, 0.0001181800000000 ] - [ 0.0156594700000000, 0.0000000000000000, -0.0152341500000000 ] - [ 0.0013515500000000, 0.0005973400000000, -0.0003286100000000 ] - [ 0.0013515500000000, -0.0005973400000000, -0.0003286100000000 ] - [ -0.0099918000000000, -0.0210438900000000, -0.0065059000000000 ] - [ -0.0099918000000000, 0.0210438900000000, -0.0065059000000000 ] - [ -0.0007757400000000, 0.0000000000000000, -0.0004615100000000 ] - [ 0.0009498900000000, 0.0000000000000000, -0.0003534100000000 ] - [ 0.0003185300000000, -0.0000543200000000, 0.0001879400000000 ] - [ 0.0003185300000000, 0.0000543200000000, 0.0001879400000000 ] - [ 0.0061580400000000, 0.0160971100000000, 0.0036722500000000 ] - [ 0.0061580400000000, -0.0160971100000000, 0.0036722500000000 ] - [ 0.0008300100000000, 0.0000000000000000, 0.0010452900000000 ] - [ 0.0171442100000000, 0.0000000000000000, -0.0061567300000000 ] - [ -0.0006819200000000, -0.0022282000000000, -0.0008571300000000 ] - [ -0.0006819200000000, 0.0022282000000000, -0.0008571300000000 ] - [ 0.0021146800000000, 0.0003069500000000, -0.0021457500000000 ] - [ 0.0021146800000000, -0.0003069500000000, -0.0021457500000000 ] - [ 0.0015631200000000, 0.0000000000000000, -0.0007780100000000 ] - [ -0.0152309300000000, 0.0000000000000000, 0.0045819100000000 ] - [ -0.0021838400000000, 0.0009000800000000, 0.0026232900000000 ] - [ -0.0021838400000000, -0.0009000800000000, 0.0026232900000000 ] - [ -0.0000896900000000, 0.0000000000000000, -0.0014062500000000 ] - [ -0.0001182700000000, -0.0000155400000000, -0.0001228300000000 ] - [ -0.0001182700000000, 0.0000155400000000, -0.0001228300000000 ] - [ -0.0000395100000000, 0.0000335000000000, -0.0007250500000000 ] - [ -0.0000395100000000, -0.0000335000000000, -0.0007250500000000 ] - [ -0.0000040300000000, 0.0000000000000000, -0.0005759800000000 ] - [ 0.0036623600000000, 0.0000000000000000, 0.0044453200000000 ] - [ 0.0007168700000000, 0.0000841500000000, 0.0006629700000000 ] - [ 0.0007168700000000, -0.0000841500000000, 0.0006629700000000 ] - [ 0.0000552000000000, 0.0000568300000000, -0.0001506800000000 ] - [ 0.0000552000000000, -0.0000568300000000, -0.0001506800000000 ] - [ 0.0001365000000000, 0.0000000000000000, -0.0001449300000000 ] - [ -0.0229998800000000, 0.0000000000000000, -0.0101880500000000 ] - [ 0.0000882200000000, -0.0002253600000000, 0.0003702000000000 ] - [ 0.0000882200000000, 0.0002253600000000, 0.0003702000000000 ] - [ 0.0001132900000000, 0.0000440600000000, 0.0001955300000000 ] - [ 0.0001132900000000, -0.0000440600000000, 0.0001955300000000 ] - [ -0.0001005900000000, 0.0000000000000000, -0.0000664900000000 ] - [ -0.0004299900000000, 0.0000000000000000, -0.0094445700000000 ] - [ -0.0002283300000000, -0.0000333500000000, -0.0007635900000000 ] - [ -0.0002283300000000, 0.0000333500000000, -0.0007635900000000 ] - [ 0.0001723800000000, 0.0000068800000000, 0.0002066700000000 ] - [ 0.0001723800000000, -0.0000068800000000, 0.0002066700000000 ] - [ 0.0000012500000000, 0.0000000000000000, 0.0000489900000000 ] - [ 0.0012047400000000, 0.0000000000000000, -0.0009331800000000 ] - [ 0.0010911600000000, -0.0000965600000000, -0.0009284200000000 ] - [ 0.0010911600000000, 0.0000965600000000, -0.0009284200000000 ] - [ 0.0004613700000000, 0.0006450100000000, 0.0001669500000000 ] - [ 0.0004613700000000, -0.0006450100000000, 0.0001669500000000 ] - [ 0.0006051300000000, 0.0000000000000000, 0.0005505500000000 ] - [ -0.0000487300000000, 0.0000000000000000, 0.0004309100000000 ] - [ 0.0004233100000000, -0.0001700800000000, 0.0001631800000000 ] - [ 0.0004233100000000, 0.0001700800000000, 0.0001631800000000 ] - [ -0.0010884800000000, 0.0008485600000000, 0.0001151900000000 ] - [ -0.0010884800000000, -0.0008485600000000, 0.0001151900000000 ] - [ -0.0007882800000000, 0.0000000000000000, -0.0000215500000000 ] - [ 0.0007572000000000, 0.0000000000000000, -0.0007577100000000 ] - [ 0.0017261100000000, -0.0002017600000000, -0.0001397300000000 ] - [ 0.0017261100000000, 0.0002017600000000, -0.0001397300000000 ] - [ -0.0008185200000000, -0.0000304300000000, 0.0006315400000000 ] - [ -0.0008185200000000, 0.0000304300000000, 0.0006315400000000 ] - [ -0.0009519100000000, 0.0000000000000000, 0.0005476600000000 ]- atom: 79 displacement: [ 0.0099999983408567, 0.0000000000000000, 0.0000057604567923 ] forces: - [ -0.0047463000000000, 0.0000000000000000, -0.0146375200000000 ] - [ 0.0006312700000000, -0.0015517600000000, -0.0010832600000000 ] - [ 0.0006312700000000, 0.0015517600000000, -0.0010832600000000 ] - [ -0.0068424400000000, -0.0063414000000000, 0.0000177800000000 ] - [ -0.0023394900000000, 0.0000000000000000, -0.0005065700000000 ] - [ -0.0068424400000000, 0.0063414000000000, 0.0000177800000000 ] - [ 0.0019934200000000, 0.0000000000000000, 0.0060739800000000 ] - [ 0.0026451200000000, -0.0013749800000000, 0.0016531300000000 ] - [ 0.0026451200000000, 0.0013749800000000, 0.0016531300000000 ] - [ -0.0025877800000000, -0.0014190200000000, 0.0006514700000000 ] - [ -0.0022584700000000, 0.0000000000000000, -0.0002991800000000 ] - [ -0.0025877800000000, 0.0014190200000000, 0.0006514700000000 ] - [ 0.0952624300000000, 0.0000000000000000, -0.0089275100000000 ] - [ 0.0041097700000000, -0.0075547100000000, -0.0006533300000000 ] - [ 0.0041097700000000, 0.0075547100000000, -0.0006533300000000 ] - [ -0.0053535400000000, -0.0020601300000000, -0.0014216700000000 ] - [ -0.0038271300000000, 0.0000000000000000, -0.0000497000000000 ] - [ -0.0053535400000000, 0.0020601300000000, -0.0014216700000000 ] - [ -0.0029418000000000, 0.0025891400000000, -0.0011031600000000 ] - [ -0.0012639900000000, 0.0000000000000000, -0.0004531200000000 ] - [ -0.0029418000000000, -0.0025891400000000, -0.0011031600000000 ] - [ -0.0183308300000000, 0.0000000000000000, 0.0052164300000000 ] - [ -0.0002606800000000, 0.0023267200000000, -0.0000728500000000 ] - [ -0.0002606800000000, -0.0023267200000000, -0.0000728500000000 ] - [ -0.0028858600000000, 0.0031053300000000, -0.0009644200000000 ] - [ -0.0011027100000000, 0.0000000000000000, -0.0004935100000000 ] - [ -0.0028858600000000, -0.0031053300000000, -0.0009644200000000 ] - [ 0.0001761500000000, 0.0000000000000000, -0.0189604600000000 ] - [ 0.0008784500000000, 0.0025497800000000, -0.0001972700000000 ] - [ 0.0008784500000000, -0.0025497800000000, -0.0001972700000000 ] - [ -0.0066920200000000, 0.0021592600000000, -0.0005680100000000 ] - [ -0.0047794500000000, 0.0000000000000000, -0.0004120600000000 ] - [ -0.0066920200000000, -0.0021592600000000, -0.0005680100000000 ] - [ -0.0116863700000000, 0.0000000000000000, 0.0066295900000000 ] - [ 0.0028403900000000, 0.0030819900000000, 0.0009424800000000 ] - [ 0.0028403900000000, -0.0030819900000000, 0.0009424800000000 ] - [ -0.0021884500000000, -0.0000213500000000, -0.0016597500000000 ] - [ -0.0014029600000000, 0.0000000000000000, -0.0010283300000000 ] - [ -0.0021884500000000, 0.0000213500000000, -0.0016597500000000 ] - [ 0.0057376600000000, 0.0000000000000000, 0.0042920100000000 ] - [ 0.0022487800000000, 0.0001192100000000, 0.0016891900000000 ] - [ 0.0022487800000000, -0.0001192100000000, 0.0016891900000000 ] - [ 0.0590019500000000, 0.0000000000000000, -0.0103606800000000 ] - [ 0.0009710500000000, 0.0004205200000000, -0.0021709900000000 ] - [ 0.0009710500000000, -0.0004205200000000, -0.0021709900000000 ] - [ 0.0090283100000000, 0.0000000000000000, 0.0019191300000000 ] - [ 0.0020733200000000, 0.0000947100000000, 0.0013198700000000 ] - [ 0.0020733200000000, -0.0000947100000000, 0.0013198700000000 ] - [ 0.1216560700000000, 0.0000000000000000, 0.0534514100000000 ] - [ 0.0025013800000000, 0.0005499200000000, 0.0020296200000000 ] - [ 0.0025013800000000, -0.0005499200000000, 0.0020296200000000 ] - [ -0.0022938800000000, -0.0000065900000000, -0.0014604100000000 ] - [ -0.0016839000000000, 0.0000000000000000, -0.0010347500000000 ] - [ -0.0022938800000000, 0.0000065900000000, -0.0014604100000000 ] - [ -0.0007615300000000, -0.0000099600000000, 0.0015418800000000 ] - [ -0.0005454400000000, 0.0000000000000000, 0.0011082300000000 ] - [ -0.0007615300000000, 0.0000099600000000, 0.0015418800000000 ] - [ -0.0024954600000000, 0.0000097500000000, -0.0018534400000000 ] - [ -0.0018203200000000, 0.0000000000000000, -0.0013815500000000 ] - [ -0.0024954600000000, -0.0000097500000000, -0.0018534400000000 ] - [ 0.0166567200000000, 0.0000000000000000, 0.0248814000000000 ] - [ -0.0004701700000000, 0.0006844300000000, 0.0016921000000000 ] - [ -0.0004701700000000, -0.0006844300000000, 0.0016921000000000 ] - [ 0.0019996600000000, 0.0006564000000000, 0.0026596700000000 ] - [ 0.0008798200000000, 0.0000000000000000, 0.0007136700000000 ] - [ 0.0019996600000000, -0.0006564000000000, 0.0026596700000000 ] - [ -0.0058980200000000, 0.0000000000000000, -0.0016930100000000 ] - [ -0.0017616200000000, 0.0001242900000000, -0.0011010700000000 ] - [ -0.0017616200000000, -0.0001242900000000, -0.0011010700000000 ] - [ 0.0036321900000000, 0.0006449800000000, -0.0010808300000000 ] - [ 0.0018625800000000, 0.0000000000000000, 0.0002446300000000 ] - [ 0.0036321900000000, -0.0006449800000000, -0.0010808300000000 ] - [ -0.0016686400000000, 0.0000000000000000, -0.0092793800000000 ] - [ -0.0023585900000000, 0.0003587400000000, -0.0014998000000000 ] - [ -0.0023585900000000, -0.0003587400000000, -0.0014998000000000 ] - [ 0.0023930500000000, 0.0002633700000000, 0.0007691900000000 ] - [ 0.0016900800000000, 0.0000000000000000, 0.0005013700000000 ] - [ 0.0023930500000000, -0.0002633700000000, 0.0007691900000000 ] - [ -0.3630152200000000, 0.0000000000000000, -0.0425540700000000 ] - [ -0.0056409300000000, -0.0006055200000000, 0.0007764900000000 ] - [ -0.0056409300000000, 0.0006055200000000, 0.0007764900000000 ] - [ 0.0044470900000000, 0.0000786300000000, -0.0002723700000000 ] - [ 0.0032343300000000, 0.0000000000000000, -0.0002819300000000 ] - [ 0.0044470900000000, -0.0000786300000000, -0.0002723700000000 ] - [ 0.0042959200000000, 0.0000000000000000, -0.0005087800000000 ] - [ 0.0015980500000000, 0.0010198700000000, -0.0007277000000000 ] - [ 0.0015980500000000, -0.0010198700000000, -0.0007277000000000 ] - [ 0.0058192100000000, 0.0170291800000000, -0.0009092600000000 ] - [ 0.0011233700000000, 0.0000000000000000, 0.0003261900000000 ] - [ 0.0058192100000000, -0.0170291800000000, -0.0009092600000000 ] - [ 0.0011828900000000, 0.0000000000000000, 0.0006780400000000 ] - [ 0.0002467400000000, 0.0009005700000000, 0.0000576700000000 ] - [ 0.0002467400000000, -0.0009005700000000, 0.0000576700000000 ] - [ -0.0006727800000000, 0.0018154800000000, -0.0011819000000000 ] - [ -0.0005664100000000, 0.0000000000000000, -0.0003321900000000 ] - [ -0.0006727800000000, -0.0018154800000000, -0.0011819000000000 ] - [ 0.0167548000000000, 0.0000000000000000, -0.0079728400000000 ] - [ 0.0016711700000000, 0.0022280400000000, -0.0009472900000000 ] - [ 0.0016711700000000, -0.0022280400000000, -0.0009472900000000 ] - [ -0.0001793000000000, 0.0023837600000000, 0.0011760700000000 ] - [ -0.0004243700000000, 0.0000000000000000, 0.0007959600000000 ] - [ -0.0001793000000000, -0.0023837600000000, 0.0011760700000000 ] - [ 0.0010584300000000, -0.0004117200000000, 0.0017584000000000 ] - [ 0.0004770400000000, 0.0000000000000000, 0.0009180600000000 ] - [ 0.0010584300000000, 0.0004117200000000, 0.0017584000000000 ] - [ 0.0026551400000000, 0.0000000000000000, -0.0030636300000000 ] - [ -0.0002678700000000, -0.0006231000000000, -0.0008430300000000 ] - [ -0.0002678700000000, 0.0006231000000000, -0.0008430300000000 ] - [ 0.0024018500000000, -0.0003901500000000, 0.0013242000000000 ] - [ 0.0015905400000000, 0.0000000000000000, 0.0008573100000000 ] - [ 0.0024018500000000, 0.0003901500000000, 0.0013242000000000 ] - [ 0.0540442100000000, 0.0000000000000000, 0.0510288700000000 ] - [ -0.0011208000000000, -0.0007281000000000, -0.0008572300000000 ] - [ -0.0011208000000000, 0.0007281000000000, -0.0008572300000000 ] - [ 0.0033120300000000, -0.0002933700000000, 0.0010293600000000 ] - [ 0.0023147900000000, 0.0000000000000000, 0.0008887300000000 ] - [ 0.0033120300000000, 0.0002933700000000, 0.0010293600000000 ] - [ -0.0054755900000000, 0.0000000000000000, -0.0014176300000000 ] - [ -0.0021912500000000, -0.0004422100000000, -0.0009450000000000 ] - [ -0.0021912500000000, 0.0004422100000000, -0.0009450000000000 ] - [ 0.0035973900000000, -0.0000868600000000, -0.0000431800000000 ] - [ 0.0023380600000000, 0.0000000000000000, -0.0000762100000000 ] - [ 0.0035973900000000, 0.0000868600000000, -0.0000431800000000 ] - [ 0.0038161300000000, 0.0000000000000000, -0.0360022300000000 ] - [ -0.0035125600000000, -0.0004892400000000, 0.0003316300000000 ] - [ -0.0035125600000000, 0.0004892400000000, 0.0003316300000000 ] - [ 0.0021154900000000, -0.0045853800000000, -0.0012709600000000 ] - [ 0.0011128200000000, 0.0000000000000000, -0.0010080400000000 ] - [ 0.0021154900000000, 0.0045853800000000, -0.0012709600000000 ] - [ 0.0048470300000000, 0.0000000000000000, 0.0003341700000000 ] - [ 0.0014290200000000, -0.0011563200000000, 0.0005880700000000 ] - [ 0.0014290200000000, 0.0011563200000000, 0.0005880700000000 ] - [ 0.0017333900000000, -0.0042367200000000, 0.0009517000000000 ] - [ 0.0008572600000000, 0.0000000000000000, 0.0001887200000000 ] - [ 0.0017333900000000, 0.0042367200000000, 0.0009517000000000 ] - [ 0.0043641700000000, 0.0000000000000000, 0.0024614800000000 ] - [ -0.0005263100000000, -0.0014182700000000, -0.0000145400000000 ] - [ -0.0005263100000000, 0.0014182700000000, -0.0000145400000000 ] - [ 0.0038762800000000, -0.0033044500000000, 0.0000471300000000 ] - [ 0.0024811300000000, 0.0000000000000000, -0.0000151700000000 ] - [ 0.0038762800000000, 0.0033044500000000, 0.0000471300000000 ] - [ 0.0013345900000000, 0.0000000000000000, 0.0019907200000000 ] - [ -0.0011918500000000, -0.0013987600000000, 0.0005205800000000 ] - [ -0.0011918500000000, 0.0013987600000000, 0.0005205800000000 ]- atom: 79 displacement: [ -0.0099999983408567, 0.0000000000000000, -0.0000057604567923 ] forces: - [ 0.0050192300000000, 0.0000000000000000, 0.0145015900000000 ] - [ -0.0002511000000000, 0.0015220700000000, 0.0012578100000000 ] - [ -0.0002511000000000, -0.0015220700000000, 0.0012578100000000 ] - [ 0.0064285700000000, 0.0062306200000000, -0.0002691100000000 ] - [ 0.0019892200000000, 0.0000000000000000, 0.0002465800000000 ] - [ 0.0064285700000000, -0.0062306200000000, -0.0002691100000000 ] - [ 0.0000855500000000, 0.0000000000000000, -0.0058913800000000 ] - [ -0.0005399900000000, 0.0013513200000000, -0.0015430300000000 ] - [ -0.0005399900000000, -0.0013513200000000, -0.0015430300000000 ] - [ 0.0012794300000000, 0.0013908000000000, -0.0010965600000000 ] - [ 0.0009513200000000, 0.0000000000000000, -0.0001582100000000 ] - [ 0.0012794300000000, -0.0013908000000000, -0.0010965600000000 ] - [ -0.0923099000000000, 0.0000000000000000, 0.0073449700000000 ] - [ -0.0068501800000000, 0.0074439300000000, 0.0003809300000000 ] - [ -0.0068501800000000, -0.0074439300000000, 0.0003809300000000 ] - [ 0.0045583400000000, 0.0020130300000000, 0.0025429300000000 ] - [ 0.0030633100000000, 0.0000000000000000, 0.0011940800000000 ] - [ 0.0045583400000000, -0.0020130300000000, 0.0025429300000000 ] - [ 0.0032448700000000, -0.0025453900000000, 0.0012738400000000 ] - [ 0.0016031000000000, 0.0000000000000000, 0.0006352900000000 ] - [ 0.0032448700000000, 0.0025453900000000, 0.0012738400000000 ] - [ 0.0177287300000000, 0.0000000000000000, -0.0054089100000000 ] - [ -0.0000581300000000, -0.0022950100000000, -0.0001789900000000 ] - [ -0.0000581300000000, 0.0022950100000000, -0.0001789900000000 ] - [ 0.0048974300000000, -0.0030543100000000, 0.0010345200000000 ] - [ 0.0031410600000000, 0.0000000000000000, 0.0005657600000000 ] - [ 0.0048974300000000, 0.0030543100000000, 0.0010345200000000 ] - [ -0.0014565500000000, 0.0000000000000000, 0.0182366400000000 ] - [ -0.0021361700000000, -0.0025121300000000, -0.0002520700000000 ] - [ -0.0021361700000000, 0.0025121300000000, -0.0002520700000000 ] - [ 0.0037656200000000, -0.0021258300000000, 0.0003009900000000 ] - [ 0.0018843500000000, 0.0000000000000000, 0.0001471400000000 ] - [ 0.0037656200000000, 0.0021258300000000, 0.0003009900000000 ] - [ 0.0105766800000000, 0.0000000000000000, -0.0053800000000000 ] - [ -0.0035049600000000, -0.0030238500000000, 0.0002140900000000 ] - [ -0.0035049600000000, 0.0030238500000000, 0.0002140900000000 ] - [ 0.0027920700000000, 0.0000208200000000, 0.0022824200000000 ] - [ 0.0020204000000000, 0.0000000000000000, 0.0016619700000000 ] - [ 0.0027920700000000, -0.0000208200000000, 0.0022824200000000 ] - [ -0.0056253800000000, 0.0000000000000000, -0.0038910200000000 ] - [ -0.0021913000000000, -0.0001169400000000, -0.0013294300000000 ] - [ -0.0021913000000000, 0.0001169400000000, -0.0013294300000000 ] - [ -0.0594270500000000, 0.0000000000000000, 0.0115340800000000 ] - [ -0.0008361500000000, -0.0004117100000000, 0.0016914700000000 ] - [ -0.0008361500000000, 0.0004117100000000, 0.0016914700000000 ] - [ -0.0090658300000000, 0.0000000000000000, -0.0021601900000000 ] - [ -0.0022578300000000, -0.0000910900000000, -0.0016462000000000 ] - [ -0.0022578300000000, 0.0000910900000000, -0.0016462000000000 ] - [ -0.1290712300000000, 0.0000000000000000, -0.0613372200000000 ] - [ -0.0018264500000000, -0.0005430200000000, -0.0013492300000000 ] - [ -0.0018264500000000, 0.0005430200000000, -0.0013492300000000 ] - [ 0.0022752800000000, 0.0000063100000000, 0.0017677000000000 ] - [ 0.0016754800000000, 0.0000000000000000, 0.0013488100000000 ] - [ 0.0022752800000000, -0.0000063100000000, 0.0017677000000000 ] - [ 0.0008706000000000, 0.0000096100000000, -0.0019606600000000 ] - [ 0.0006584100000000, 0.0000000000000000, -0.0015350000000000 ] - [ 0.0008706000000000, -0.0000096100000000, -0.0019606600000000 ] - [ 0.0022336500000000, -0.0000097800000000, 0.0014719900000000 ] - [ 0.0015700400000000, 0.0000000000000000, 0.0010081000000000 ] - [ 0.0022336500000000, 0.0000097800000000, 0.0014719900000000 ] - [ -0.0167380400000000, 0.0000000000000000, -0.0239845700000000 ] - [ -0.0000459300000000, -0.0006749800000000, -0.0014846500000000 ] - [ -0.0000459300000000, 0.0006749800000000, -0.0014846500000000 ] - [ -0.0019593800000000, -0.0006431600000000, -0.0037061700000000 ] - [ -0.0008602400000000, 0.0000000000000000, -0.0018002200000000 ] - [ -0.0019593800000000, 0.0006431600000000, -0.0037061700000000 ] - [ 0.0058977600000000, 0.0000000000000000, 0.0016403300000000 ] - [ 0.0018683800000000, -0.0001226100000000, 0.0010580600000000 ] - [ 0.0018683800000000, 0.0001226100000000, 0.0010580600000000 ] - [ -0.0032163700000000, -0.0006337300000000, 0.0008925900000000 ] - [ -0.0014772500000000, 0.0000000000000000, -0.0004142900000000 ] - [ -0.0032163700000000, 0.0006337300000000, 0.0008925900000000 ] - [ 0.0018986600000000, 0.0000000000000000, 0.0095202400000000 ] - [ 0.0025345200000000, -0.0003532500000000, 0.0019234600000000 ] - [ 0.0025345200000000, 0.0003532500000000, 0.0019234600000000 ] - [ -0.0026341400000000, -0.0002573700000000, -0.0009912400000000 ] - [ -0.0019414600000000, 0.0000000000000000, -0.0007290500000000 ] - [ -0.0026341400000000, 0.0002573700000000, -0.0009912400000000 ] - [ 0.3630650100000000, 0.0000000000000000, 0.0517043900000000 ] - [ 0.0043348000000000, 0.0005904500000000, -0.0004761100000000 ] - [ 0.0043348000000000, -0.0005904500000000, -0.0004761100000000 ] - [ -0.0042072600000000, -0.0000760700000000, 0.0002091900000000 ] - [ -0.0030138100000000, 0.0000000000000000, 0.0002181500000000 ] - [ -0.0042072600000000, 0.0000760700000000, 0.0002091900000000 ] - [ -0.0023081700000000, 0.0000000000000000, -0.0013346800000000 ] - [ 0.0003246300000000, -0.0010007100000000, -0.0011183500000000 ] - [ 0.0003246300000000, 0.0010007100000000, -0.0011183500000000 ] - [ -0.0046935600000000, -0.0167127700000000, 0.0021182100000000 ] - [ -0.0000160100000000, 0.0000000000000000, 0.0008930900000000 ] - [ -0.0046935600000000, 0.0167127700000000, 0.0021182100000000 ] - [ -0.0005137100000000, 0.0000000000000000, -0.0005640800000000 ] - [ 0.0004005100000000, -0.0008841200000000, 0.0000409100000000 ] - [ 0.0004005100000000, 0.0008841200000000, 0.0000409100000000 ] - [ -0.0008936700000000, -0.0017824700000000, 0.0010476400000000 ] - [ -0.0009996300000000, 0.0000000000000000, 0.0002088600000000 ] - [ -0.0008936700000000, 0.0017824700000000, 0.0010476400000000 ] - [ -0.0131334800000000, 0.0000000000000000, 0.0075118000000000 ] - [ 0.0015975000000000, -0.0021903400000000, 0.0006121200000000 ] - [ 0.0015975000000000, 0.0021903400000000, 0.0006121200000000 ] - [ -0.0018897700000000, -0.0023303400000000, -0.0001657800000000 ] - [ -0.0016508400000000, 0.0000000000000000, 0.0002060400000000 ] - [ -0.0018897700000000, 0.0023303400000000, -0.0001657800000000 ] - [ -0.0015443600000000, 0.0004057400000000, -0.0015471500000000 ] - [ -0.0009762200000000, 0.0000000000000000, -0.0007267900000000 ] - [ -0.0015443600000000, -0.0004057400000000, -0.0015471500000000 ] - [ -0.0026074300000000, 0.0000000000000000, 0.0020084800000000 ] - [ 0.0002721700000000, 0.0006141100000000, -0.0002509000000000 ] - [ 0.0002721700000000, -0.0006141100000000, -0.0002509000000000 ] - [ -0.0022220000000000, 0.0003837200000000, -0.0013294200000000 ] - [ -0.0014285300000000, 0.0000000000000000, -0.0008617700000000 ] - [ -0.0022220000000000, -0.0003837200000000, -0.0013294200000000 ] - [ -0.0533276100000000, 0.0000000000000000, -0.0510651000000000 ] - [ 0.0014647000000000, 0.0007186700000000, 0.0006655900000000 ] - [ 0.0014647000000000, -0.0007186700000000, 0.0006655900000000 ] - [ -0.0030389100000000, 0.0002889500000000, -0.0005642900000000 ] - [ -0.0020562800000000, 0.0000000000000000, -0.0004273100000000 ] - [ -0.0030389100000000, -0.0002889500000000, -0.0005642900000000 ] - [ 0.0051544300000000, 0.0000000000000000, 0.0011132700000000 ] - [ 0.0018781900000000, 0.0004348400000000, 0.0006893400000000 ] - [ 0.0018781900000000, -0.0004348400000000, 0.0006893400000000 ] - [ -0.0047511100000000, 0.0000862000000000, 0.0003264500000000 ] - [ -0.0035148800000000, 0.0000000000000000, 0.0003584400000000 ] - [ -0.0047511100000000, -0.0000862000000000, 0.0003264500000000 ] - [ -0.0030706600000000, 0.0000000000000000, 0.0349952200000000 ] - [ 0.0036242600000000, 0.0004776900000000, -0.0003871200000000 ] - [ 0.0036242600000000, -0.0004776900000000, -0.0003871200000000 ] - [ -0.0001686700000000, 0.0044922100000000, -0.0005837500000000 ] - [ 0.0008090800000000, 0.0000000000000000, -0.0008433000000000 ] - [ -0.0001686700000000, -0.0044922100000000, -0.0005837500000000 ] - [ -0.0036849500000000, 0.0000000000000000, 0.0008921100000000 ] - [ -0.0003177300000000, 0.0011392000000000, 0.0006364900000000 ] - [ -0.0003177300000000, -0.0011392000000000, 0.0006364900000000 ] - [ -0.0010623600000000, 0.0041783200000000, -0.0008442700000000 ] - [ -0.0001970600000000, 0.0000000000000000, -0.0000895100000000 ] - [ -0.0010623600000000, -0.0041783200000000, -0.0008442700000000 ] - [ -0.0058455800000000, 0.0000000000000000, -0.0025382700000000 ] - [ -0.0010381500000000, 0.0013981300000000, -0.0001025500000000 ] - [ -0.0010381500000000, -0.0013981300000000, -0.0001025500000000 ] - [ -0.0005720600000000, 0.0032534100000000, -0.0003678900000000 ] - [ 0.0008029800000000, 0.0000000000000000, -0.0003052600000000 ] - [ -0.0005720600000000, -0.0032534100000000, -0.0003678900000000 ] - [ -0.0033689000000000, 0.0000000000000000, -0.0009865600000000 ] - [ -0.0008918800000000, 0.0013723500000000, 0.0004747700000000 ] - [ -0.0008918800000000, -0.0013723500000000, 0.0004747700000000 ]- atom: 79 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0001795100000000, 0.0006846500000000, 0.0000785500000000 ] - [ -0.0003898800000000, -0.0003065900000000, -0.0006349600000000 ] - [ 0.0007533600000000, -0.0003053900000000, 0.0008233300000000 ] - [ -0.0019682100000000, 0.0005608800000000, 0.0004146100000000 ] - [ -0.0001585700000000, -0.0009090500000000, -0.0001255200000000 ] - [ 0.0016686500000000, 0.0005585900000000, -0.0006688100000000 ] - [ 0.0010301200000000, 0.0007481700000000, 0.0000408500000000 ] - [ 0.0005268200000000, -0.0003447900000000, 0.0002404200000000 ] - [ 0.0015449400000000, -0.0003474400000000, -0.0001596600000000 ] - [ -0.0006671600000000, 0.0001992900000000, 0.0001161200000000 ] - [ -0.0006412000000000, -0.0003906100000000, -0.0002279000000000 ] - [ -0.0006115400000000, 0.0001998100000000, -0.0005723100000000 ] - [ -0.0016537500000000, 0.0148194700000000, -0.0000824500000000 ] - [ -0.0032975200000000, -0.0037167400000000, 0.0000339100000000 ] - [ 0.0004337800000000, -0.0037345200000000, -0.0002895700000000 ] - [ -0.0004827800000000, 0.0002235500000000, 0.0002370400000000 ] - [ -0.0003549500000000, -0.0004471000000000, 0.0005770400000000 ] - [ -0.0002309700000000, 0.0002296200000000, 0.0009187900000000 ] - [ 0.0003317700000000, 0.0001812200000000, 0.0000848600000000 ] - [ 0.0001850000000000, -0.0003369000000000, 0.0000954500000000 ] - [ 0.0000316300000000, 0.0001734000000000, 0.0000996600000000 ] - [ -0.0001784700000000, 0.0007582900000000, -0.0000986200000000 ] - [ 0.0007269600000000, -0.0003671100000000, 0.0000749400000000 ] - [ -0.0010333400000000, -0.0003669200000000, -0.0003193000000000 ] - [ 0.0010643100000000, 0.0001607000000000, 0.0000667500000000 ] - [ 0.0010363800000000, -0.0003045300000000, 0.0000398900000000 ] - [ 0.0010041600000000, 0.0001507500000000, 0.0000153900000000 ] - [ -0.0006372300000000, 0.0006285200000000, -0.0002593500000000 ] - [ -0.0002493800000000, -0.0002653000000000, 0.0004088400000000 ] - [ -0.0010234600000000, -0.0002702600000000, -0.0008535500000000 ] - [ -0.0014002000000000, 0.0001564500000000, -0.0001212400000000 ] - [ -0.0014202200000000, -0.0003126000000000, -0.0001293700000000 ] - [ -0.0014432200000000, 0.0001517000000000, -0.0001354900000000 ] - [ -0.0004014400000000, 0.0008206800000000, 0.0005722800000000 ] - [ 0.0005853600000000, -0.0004355100000000, 0.0001651300000000 ] - [ -0.0012857200000000, -0.0004409900000000, 0.0009804100000000 ] - [ 0.0002205000000000, 0.0000093900000000, 0.0002514500000000 ] - [ 0.0003226000000000, -0.0000165300000000, 0.0003280300000000 ] - [ 0.0004241000000000, 0.0000094100000000, 0.0004039700000000 ] - [ 0.0000134900000000, 0.0004140700000000, 0.0001767800000000 ] - [ 0.0000375600000000, -0.0000960400000000, 0.0002977700000000 ] - [ -0.0000163600000000, -0.0000953300000000, 0.0000395700000000 ] - [ 0.0004821400000000, 0.0213724800000000, -0.0008385800000000 ] - [ 0.0003059500000000, -0.0006446300000000, -0.0009779900000000 ] - [ -0.0001820300000000, -0.0006364900000000, 0.0005215300000000 ] - [ -0.0000852400000000, 0.0000043400000000, -0.0001829000000000 ] - [ -0.0002127000000000, -0.0000891000000000, -0.0003260500000000 ] - [ -0.0000125400000000, -0.0000889600000000, -0.0000298700000000 ] - [ 0.0011686200000000, 0.0189324600000000, 0.0008175100000000 ] - [ 0.0009696700000000, -0.0006769400000000, 0.0008509800000000 ] - [ -0.0003186900000000, -0.0006679200000000, -0.0001898900000000 ] - [ -0.0000278400000000, 0.0000027000000000, 0.0001494600000000 ] - [ 0.0000093900000000, -0.0000080100000000, 0.0001669800000000 ] - [ 0.0000469300000000, 0.0000027400000000, 0.0001850800000000 ] - [ 0.0000452200000000, 0.0000065000000000, -0.0002061000000000 ] - [ 0.0000611200000000, -0.0000133700000000, -0.0002245900000000 ] - [ 0.0000768200000000, 0.0000065400000000, -0.0002425700000000 ] - [ -0.0001408300000000, 0.0000050600000000, -0.0001890800000000 ] - [ -0.0001122500000000, -0.0000108500000000, -0.0001774700000000 ] - [ -0.0000849800000000, 0.0000050600000000, -0.0001668000000000 ] - [ -0.0002380300000000, -0.0022199900000000, 0.0001083200000000 ] - [ 0.0002202200000000, 0.0003090700000000, 0.0009303100000000 ] - [ -0.0007265600000000, 0.0003090400000000, -0.0007442200000000 ] - [ 0.0002614800000000, -0.0000636700000000, 0.0000684500000000 ] - [ 0.0000026100000000, 0.0001182800000000, -0.0005536700000000 ] - [ -0.0002551900000000, -0.0000644000000000, -0.0011679200000000 ] - [ 0.0000578600000000, -0.0001590200000000, -0.0000128800000000 ] - [ 0.0002014000000000, 0.0000709800000000, 0.0001246800000000 ] - [ -0.0000597900000000, 0.0000706800000000, -0.0001481000000000 ] - [ 0.0006837500000000, -0.0000337900000000, -0.0006490300000000 ] - [ 0.0001790800000000, 0.0001077700000000, -0.0000878600000000 ] - [ -0.0003237400000000, -0.0000348100000000, 0.0004739600000000 ] - [ 0.0001195600000000, -0.0016778700000000, 0.0002126800000000 ] - [ 0.0004994700000000, 0.0002575100000000, -0.0001305800000000 ] - [ -0.0002788500000000, 0.0002574500000000, 0.0005810800000000 ] - [ -0.0000630100000000, -0.0000365000000000, -0.0001381200000000 ] - [ -0.0001406000000000, 0.0000687400000000, -0.0001194000000000 ] - [ -0.0002185200000000, -0.0000372600000000, -0.0001007300000000 ] - [ -0.0018708200000000, -0.0392783800000000, 0.0002885300000000 ] - [ -0.0000065100000000, 0.0015570700000000, 0.0000717200000000 ] - [ -0.0012037100000000, 0.0015380300000000, 0.0002123600000000 ] - [ 0.0001722200000000, -0.0000161600000000, -0.0000231700000000 ] - [ 0.0000834100000000, 0.0000329200000000, -0.0000294600000000 ] - [ -0.0000042800000000, -0.0000167600000000, -0.0000349400000000 ] - [ 0.0009613300000000, -0.0003871300000000, -0.0009252000000000 ] - [ 0.0011426600000000, 0.0001984000000000, -0.0009004800000000 ] - [ 0.0007706900000000, 0.0001999600000000, -0.0009493400000000 ] - [ 0.0071552200000000, 0.0018534900000000, -0.0004083300000000 ] - [ 0.0005479200000000, 0.0023479600000000, 0.0006132100000000 ] - [ -0.0060315700000000, 0.0019225500000000, 0.0016303200000000 ] - [ 0.0003259400000000, -0.0003928800000000, 0.0000483200000000 ] - [ 0.0004708300000000, 0.0001801500000000, 0.0000847800000000 ] - [ 0.0001785900000000, 0.0001796900000000, 0.0000134100000000 ] - [ -0.0007580500000000, -0.0003149200000000, -0.0002529600000000 ] - [ -0.0007849800000000, 0.0005960900000000, -0.0000595300000000 ] - [ -0.0008107700000000, -0.0003168000000000, 0.0001374000000000 ] - [ 0.0016483200000000, -0.0009412800000000, -0.0001677100000000 ] - [ 0.0020991600000000, 0.0007104100000000, -0.0003428500000000 ] - [ 0.0011694900000000, 0.0007103100000000, 0.0000217400000000 ] - [ -0.0010063400000000, -0.0002745300000000, 0.0005162400000000 ] - [ -0.0010430300000000, 0.0005181400000000, 0.0004977000000000 ] - [ -0.0010767100000000, -0.0002804800000000, 0.0004810900000000 ] - [ -0.0002748200000000, -0.0000326000000000, 0.0000558800000000 ] - [ -0.0002564700000000, 0.0000585000000000, 0.0000883000000000 ] - [ -0.0002327000000000, -0.0000321800000000, 0.0001308300000000 ] - [ -0.0000026300000000, -0.0005769200000000, -0.0005495600000000 ] - [ -0.0002852600000000, 0.0001895300000000, -0.0005850200000000 ] - [ 0.0002889200000000, 0.0001884200000000, -0.0005103300000000 ] - [ 0.0000545600000000, -0.0000259500000000, 0.0000051500000000 ] - [ 0.0000678200000000, 0.0000475500000000, -0.0000104400000000 ] - [ 0.0000866500000000, -0.0000246800000000, -0.0000301100000000 ] - [ 0.0003102600000000, -0.0071133600000000, 0.0000292200000000 ] - [ -0.0005069000000000, 0.0003634600000000, -0.0006502800000000 ] - [ 0.0008621400000000, 0.0003599600000000, 0.0004633800000000 ] - [ 0.0001234900000000, -0.0000210000000000, 0.0002348900000000 ] - [ 0.0001103100000000, 0.0000415000000000, 0.0002254200000000 ] - [ 0.0000966400000000, -0.0000204500000000, 0.0002163500000000 ] - [ -0.0001437900000000, -0.0001467500000000, -0.0001234200000000 ] - [ -0.0002709300000000, 0.0000839300000000, -0.0001820600000000 ] - [ -0.0000131400000000, 0.0000840900000000, -0.0000578900000000 ] - [ -0.0005252900000000, -0.0000146700000000, 0.0001647900000000 ] - [ -0.0006128100000000, 0.0000312400000000, 0.0001429000000000 ] - [ -0.0006978600000000, -0.0000148600000000, 0.0001217000000000 ] - [ 0.0001317800000000, -0.0070551400000000, -0.0001861200000000 ] - [ -0.0005107400000000, 0.0003446000000000, 0.0005874600000000 ] - [ 0.0006701400000000, 0.0003421100000000, -0.0006392900000000 ] - [ 0.0007865700000000, -0.0003463100000000, -0.0007964800000000 ] - [ 0.0009565800000000, 0.0006885900000000, -0.0009247600000000 ] - [ 0.0011274100000000, -0.0003324000000000, -0.0010512100000000 ] - [ 0.0005498900000000, -0.0002587500000000, 0.0006134200000000 ] - [ 0.0003814500000000, 0.0001229100000000, 0.0006207800000000 ] - [ 0.0007118600000000, 0.0001252700000000, 0.0006050600000000 ] - [ 0.0002347200000000, -0.0003014900000000, 0.0000408100000000 ] - [ 0.0003242800000000, 0.0004446200000000, 0.0000480100000000 ] - [ 0.0004144200000000, -0.0002897100000000, 0.0000548900000000 ] - [ -0.0007754500000000, -0.0001174500000000, -0.0000557500000000 ] - [ -0.0009400300000000, 0.0001101500000000, -0.0001412700000000 ] - [ -0.0006313800000000, 0.0001137500000000, 0.0000223000000000 ] - [ 0.0014938700000000, -0.0002385700000000, -0.0002333300000000 ] - [ 0.0016332700000000, 0.0004088400000000, -0.0001614300000000 ] - [ 0.0017734600000000, -0.0002312000000000, -0.0000906000000000 ] - [ -0.0010379700000000, -0.0002912900000000, 0.0004995300000000 ] - [ -0.0011990000000000, 0.0001163500000000, 0.0004529100000000 ] - [ -0.0008876700000000, 0.0001223200000000, 0.0005421100000000 ]- atom: 79 displacement: [ -0.0020604768976038, 0.0000000000000000, 0.0097854195083523 ] forces: - [ -0.0009001200000000, 0.0000000000000000, 0.0022004800000000 ] - [ -0.0000788500000000, 0.0000386500000000, 0.0005386400000000 ] - [ -0.0000788500000000, -0.0000386500000000, 0.0005386400000000 ] - [ 0.0024411900000000, 0.0011393500000000, -0.0002485600000000 ] - [ 0.0005924000000000, 0.0000000000000000, 0.0000304100000000 ] - [ 0.0024411900000000, -0.0011393500000000, -0.0002485600000000 ] - [ 0.0054061600000000, 0.0000000000000000, -0.0068320600000000 ] - [ 0.0007918300000000, 0.0005872700000000, -0.0010413000000000 ] - [ 0.0007918300000000, -0.0005872700000000, -0.0010413000000000 ] - [ -0.0000027500000000, 0.0004936200000000, -0.0007932200000000 ] - [ -0.0001913100000000, 0.0000000000000000, -0.0003225300000000 ] - [ -0.0000027500000000, -0.0004936200000000, -0.0007932200000000 ] - [ -0.0285273000000000, 0.0000000000000000, 0.0245440100000000 ] - [ -0.0031946700000000, 0.0031429700000000, 0.0008357400000000 ] - [ -0.0031946700000000, -0.0031429700000000, 0.0008357400000000 ] - [ 0.0007141300000000, 0.0002365000000000, 0.0011924100000000 ] - [ 0.0005607900000000, 0.0000000000000000, 0.0008046200000000 ] - [ 0.0007141300000000, -0.0002365000000000, 0.0011924100000000 ] - [ 0.0031453000000000, -0.0010478200000000, -0.0004173300000000 ] - [ 0.0011883000000000, 0.0000000000000000, 0.0001580400000000 ] - [ 0.0031453000000000, 0.0010478200000000, -0.0004173300000000 ] - [ -0.0035311800000000, 0.0000000000000000, 0.0103693400000000 ] - [ -0.0000272300000000, -0.0000905800000000, 0.0008607800000000 ] - [ -0.0000272300000000, 0.0000905800000000, 0.0008607800000000 ] - [ 0.0012593400000000, 0.0004092800000000, -0.0004008400000000 ] - [ 0.0015305000000000, 0.0000000000000000, -0.0000249400000000 ] - [ 0.0012593400000000, -0.0004092800000000, -0.0004008400000000 ] - [ 0.0024889500000000, 0.0000000000000000, -0.0115766200000000 ] - [ -0.0005516900000000, 0.0001910700000000, -0.0009357400000000 ] - [ -0.0005516900000000, -0.0001910700000000, -0.0009357400000000 ] - [ -0.0002571600000000, -0.0002183900000000, 0.0007290900000000 ] - [ -0.0004668100000000, 0.0000000000000000, 0.0001999800000000 ] - [ -0.0002571600000000, 0.0002183900000000, 0.0007290900000000 ] - [ 0.0303178400000000, 0.0000000000000000, -0.0063463700000000 ] - [ -0.0007264800000000, -0.0027428500000000, 0.0002798600000000 ] - [ -0.0007264800000000, 0.0027428500000000, 0.0002798600000000 ] - [ 0.0009787600000000, 0.0000049300000000, 0.0008460800000000 ] - [ 0.0008027700000000, 0.0000000000000000, 0.0007066700000000 ] - [ 0.0009787600000000, -0.0000049300000000, 0.0008460800000000 ] - [ -0.0016449600000000, 0.0000000000000000, -0.0041257300000000 ] - [ -0.0006812700000000, 0.0000655100000000, -0.0004242200000000 ] - [ -0.0006812700000000, -0.0000655100000000, -0.0004242200000000 ] - [ -0.0579850000000000, 0.0000000000000000, 0.1357894100000000 ] - [ -0.0003217500000000, -0.0004167500000000, 0.0008630900000000 ] - [ -0.0003217500000000, 0.0004167500000000, 0.0008630900000000 ] - [ -0.0096658600000000, 0.0000000000000000, -0.0030162100000000 ] - [ -0.0009769800000000, -0.0002407300000000, -0.0008554100000000 ] - [ -0.0009769800000000, 0.0002407300000000, -0.0008554100000000 ] - [ 0.0543433100000000, 0.0000000000000000, 0.0948501800000000 ] - [ -0.0002414200000000, 0.0000342400000000, 0.0000235100000000 ] - [ -0.0002414200000000, -0.0000342400000000, 0.0000235100000000 ] - [ 0.0005568100000000, 0.0000080600000000, 0.0005246000000000 ] - [ 0.0004587900000000, 0.0000000000000000, 0.0004749600000000 ] - [ 0.0005568100000000, -0.0000080600000000, 0.0005246000000000 ] - [ 0.0002787100000000, 0.0000018100000000, -0.0006353400000000 ] - [ 0.0002288000000000, 0.0000000000000000, -0.0005713100000000 ] - [ 0.0002787100000000, -0.0000018100000000, -0.0006353400000000 ] - [ 0.0004834800000000, -0.0000008200000000, 0.0002096900000000 ] - [ 0.0003588500000000, 0.0000000000000000, 0.0001453200000000 ] - [ 0.0004834800000000, 0.0000008200000000, 0.0002096900000000 ] - [ 0.0042657400000000, 0.0000000000000000, -0.0075827200000000 ] - [ -0.0001645900000000, -0.0001488800000000, -0.0009114600000000 ] - [ -0.0001645900000000, 0.0001488800000000, -0.0009114600000000 ] - [ -0.0006547300000000, -0.0001339700000000, -0.0017290500000000 ] - [ -0.0002795700000000, 0.0000000000000000, -0.0010298400000000 ] - [ -0.0006547300000000, 0.0001339700000000, -0.0017290500000000 ] - [ 0.0049081400000000, 0.0000000000000000, 0.0052474000000000 ] - [ 0.0007956500000000, 0.0000840400000000, 0.0007265600000000 ] - [ 0.0007956500000000, -0.0000840400000000, 0.0007265600000000 ] - [ -0.0008568700000000, -0.0000544000000000, 0.0002993100000000 ] - [ -0.0003253800000000, 0.0000000000000000, -0.0001223600000000 ] - [ -0.0008568700000000, 0.0000544000000000, 0.0002993100000000 ] - [ -0.0101456900000000, 0.0000000000000000, 0.0118893500000000 ] - [ 0.0005938600000000, -0.0003275300000000, 0.0009219400000000 ] - [ 0.0005938600000000, 0.0003275300000000, 0.0009219400000000 ] - [ -0.0008186400000000, -0.0000671500000000, -0.0001626900000000 ] - [ -0.0006376300000000, 0.0000000000000000, -0.0002459400000000 ] - [ -0.0008186400000000, 0.0000671500000000, -0.0001626900000000 ] - [ 0.0333060200000000, 0.0000000000000000, -0.3533210500000000 ] - [ 0.0010244700000000, 0.0001921600000000, -0.0006256400000000 ] - [ 0.0010244700000000, -0.0001921600000000, -0.0006256400000000 ] - [ -0.0009807200000000, -0.0000086200000000, 0.0000336700000000 ] - [ -0.0007671300000000, 0.0000000000000000, 0.0000314900000000 ] - [ -0.0009807200000000, 0.0000086200000000, 0.0000336700000000 ] - [ 0.0007619000000000, 0.0000000000000000, -0.0010073100000000 ] - [ 0.0008354600000000, -0.0001927300000000, -0.0010001300000000 ] - [ 0.0008354600000000, 0.0001927300000000, -0.0010001300000000 ] - [ -0.0022635800000000, -0.0066964400000000, -0.0001831700000000 ] - [ 0.0002869900000000, 0.0000000000000000, 0.0006657500000000 ] - [ -0.0022635800000000, 0.0066964400000000, -0.0001831700000000 ] - [ -0.0004265800000000, 0.0000000000000000, 0.0004840100000000 ] - [ 0.0003258400000000, -0.0002489100000000, 0.0001405400000000 ] - [ 0.0003258400000000, 0.0002489100000000, 0.0001405400000000 ] - [ -0.0010868800000000, -0.0008765400000000, 0.0003907900000000 ] - [ -0.0008969600000000, 0.0000000000000000, 0.0000659300000000 ] - [ -0.0010868800000000, 0.0008765400000000, 0.0003907900000000 ] - [ -0.0001735300000000, 0.0000000000000000, 0.0025906500000000 ] - [ 0.0015121700000000, -0.0006808500000000, 0.0001038300000000 ] - [ 0.0015121700000000, 0.0006808500000000, 0.0001038300000000 ] - [ -0.0010135000000000, -0.0001409500000000, 0.0005163400000000 ] - [ -0.0011565900000000, 0.0000000000000000, 0.0004681400000000 ] - [ -0.0010135000000000, 0.0001409500000000, 0.0005163400000000 ] - [ -0.0009013000000000, 0.0000934000000000, -0.0010496300000000 ] - [ -0.0005781100000000, 0.0000000000000000, -0.0004314900000000 ] - [ -0.0009013000000000, -0.0000934000000000, -0.0010496300000000 ] - [ -0.0049025800000000, 0.0000000000000000, -0.0104938800000000 ] - [ -0.0002657900000000, 0.0003203800000000, -0.0015141900000000 ] - [ -0.0002657900000000, -0.0003203800000000, -0.0015141900000000 ] - [ -0.0009476900000000, 0.0000461800000000, 0.0005830500000000 ] - [ -0.0004950800000000, 0.0000000000000000, 0.0000245200000000 ] - [ -0.0009476900000000, -0.0000461800000000, 0.0005830500000000 ] - [ 0.0354679000000000, 0.0000000000000000, 0.0198177000000000 ] - [ 0.0007162200000000, -0.0000867800000000, 0.0000603400000000 ] - [ 0.0007162200000000, 0.0000867800000000, 0.0000603400000000 ] - [ -0.0005385300000000, -0.0000116100000000, -0.0000513900000000 ] - [ -0.0004600900000000, 0.0000000000000000, 0.0000235800000000 ] - [ -0.0005385300000000, 0.0000116100000000, -0.0000513900000000 ] - [ -0.0042390100000000, 0.0000000000000000, 0.0085981100000000 ] - [ 0.0000733800000000, 0.0001648500000000, 0.0009087100000000 ] - [ 0.0000733800000000, -0.0001648500000000, 0.0009087100000000 ] - [ -0.0016491800000000, -0.0000029200000000, 0.0001385200000000 ] - [ -0.0014259900000000, 0.0000000000000000, 0.0001800100000000 ] - [ -0.0016491800000000, 0.0000029200000000, 0.0001385200000000 ] - [ -0.0405964300000000, 0.0000000000000000, 0.0845543200000000 ] - [ 0.0010538100000000, 0.0006576700000000, -0.0001702700000000 ] - [ 0.0010538100000000, -0.0006576700000000, -0.0001702700000000 ] - [ -0.0014825500000000, 0.0047098300000000, -0.0004859300000000 ] - [ 0.0004045900000000, 0.0000000000000000, -0.0008241000000000 ] - [ -0.0014825500000000, -0.0047098300000000, -0.0004859300000000 ] - [ 0.0002873400000000, 0.0000000000000000, 0.0004984200000000 ] - [ 0.0003133800000000, 0.0001226700000000, 0.0005256200000000 ] - [ 0.0003133800000000, -0.0001226700000000, 0.0005256200000000 ] - [ 0.0003058500000000, -0.0003822300000000, 0.0007677600000000 ] - [ 0.0002054000000000, 0.0000000000000000, 0.0002029700000000 ] - [ 0.0003058500000000, 0.0003822300000000, 0.0007677600000000 ] - [ 0.0003138400000000, 0.0000000000000000, 0.0005961000000000 ] - [ -0.0008785100000000, -0.0000297000000000, -0.0000955200000000 ] - [ -0.0008785100000000, 0.0000297000000000, -0.0000955200000000 ] - [ 0.0016134100000000, -0.0000350300000000, -0.0004861800000000 ] - [ 0.0014414100000000, 0.0000000000000000, -0.0002566600000000 ] - [ 0.0016134100000000, 0.0000350300000000, -0.0004861800000000 ] - [ -0.0033780200000000, 0.0000000000000000, 0.0025597500000000 ] - [ -0.0013146800000000, 0.0005906100000000, 0.0008765000000000 ] - [ -0.0013146800000000, -0.0005906100000000, 0.0008765000000000 ]- atom: 79 displacement: [ 0.0020604768976038, 0.0000000000000000, -0.0097854195083523 ] forces: - [ 0.0012100300000000, 0.0000000000000000, -0.0021690300000000 ] - [ 0.0004450900000000, -0.0000519800000000, -0.0003488900000000 ] - [ 0.0004450900000000, 0.0000519800000000, -0.0003488900000000 ] - [ -0.0027483800000000, -0.0010995100000000, 0.0000095900000000 ] - [ -0.0009094900000000, 0.0000000000000000, -0.0002836000000000 ] - [ -0.0027483800000000, 0.0010995100000000, 0.0000095900000000 ] - [ -0.0034133300000000, 0.0000000000000000, 0.0068810800000000 ] - [ 0.0012856100000000, -0.0005930000000000, 0.0011208100000000 ] - [ 0.0012856100000000, 0.0005930000000000, 0.0011208100000000 ] - [ -0.0012814100000000, -0.0005012800000000, 0.0003219900000000 ] - [ -0.0010953600000000, 0.0000000000000000, -0.0001365300000000 ] - [ -0.0012814100000000, 0.0005012800000000, 0.0003219900000000 ] - [ 0.0252951300000000, 0.0000000000000000, -0.0244569200000000 ] - [ 0.0003609500000000, -0.0031432800000000, -0.0010902100000000 ] - [ 0.0003609500000000, 0.0031432800000000, -0.0010902100000000 ] - [ -0.0014422200000000, -0.0002599400000000, -0.0000330900000000 ] - [ -0.0012765200000000, 0.0000000000000000, 0.0003505200000000 ] - [ -0.0014422200000000, 0.0002599400000000, -0.0000330900000000 ] - [ -0.0027814300000000, 0.0010551500000000, 0.0005978300000000 ] - [ -0.0008227600000000, 0.0000000000000000, 0.0000313900000000 ] - [ -0.0027814300000000, -0.0010551500000000, 0.0005978300000000 ] - [ 0.0031385100000000, 0.0000000000000000, -0.0105446200000000 ] - [ -0.0002898600000000, 0.0000962500000000, -0.0011072700000000 ] - [ -0.0002898600000000, -0.0000962500000000, -0.0011072700000000 ] - [ 0.0007989000000000, -0.0003968700000000, 0.0004784400000000 ] - [ 0.0005366500000000, 0.0000000000000000, 0.0001032900000000 ] - [ 0.0007989000000000, 0.0003968700000000, 0.0004784400000000 ] - [ -0.0037575300000000, 0.0000000000000000, 0.0109857800000000 ] - [ -0.0007196000000000, -0.0001806000000000, 0.0004810800000000 ] - [ -0.0007196000000000, 0.0001806000000000, 0.0004810800000000 ] - [ -0.0025957600000000, 0.0002219800000000, -0.0009851900000000 ] - [ -0.0023805000000000, 0.0000000000000000, -0.0004586200000000 ] - [ -0.0025957600000000, -0.0002219800000000, -0.0009851900000000 ] - [ -0.0310462800000000, 0.0000000000000000, 0.0074995600000000 ] - [ 0.0000241100000000, 0.0027443400000000, 0.0008724900000000 ] - [ 0.0000241100000000, -0.0027443400000000, 0.0008724900000000 ] - [ -0.0003373300000000, -0.0000049800000000, -0.0001933600000000 ] - [ -0.0001607700000000, 0.0000000000000000, -0.0000534100000000 ] - [ -0.0003373300000000, 0.0000049800000000, -0.0001933600000000 ] - [ 0.0016778700000000, 0.0000000000000000, 0.0045018800000000 ] - [ 0.0007073400000000, -0.0000658900000000, 0.0007633200000000 ] - [ 0.0007073400000000, 0.0000658900000000, 0.0007633200000000 ] - [ 0.0524535800000000, 0.0000000000000000, -0.1211238700000000 ] - [ 0.0004458300000000, 0.0004148400000000, -0.0013145500000000 ] - [ 0.0004458300000000, -0.0004148400000000, -0.0013145500000000 ] - [ 0.0095666800000000, 0.0000000000000000, 0.0026803200000000 ] - [ 0.0007578600000000, 0.0002401500000000, 0.0005038500000000 ] - [ 0.0007578600000000, -0.0002401500000000, 0.0005038500000000 ] - [ -0.0575488900000000, 0.0000000000000000, -0.0948832100000000 ] - [ 0.0008915200000000, -0.0000336300000000, 0.0006359500000000 ] - [ 0.0008915200000000, 0.0000336300000000, 0.0006359500000000 ] - [ -0.0005423800000000, -0.0000081100000000, -0.0001940900000000 ] - [ -0.0004432800000000, 0.0000000000000000, -0.0001437300000000 ] - [ -0.0005423800000000, 0.0000081100000000, -0.0001940900000000 ] - [ -0.0001583300000000, -0.0000019100000000, 0.0001916100000000 ] - [ -0.0001077300000000, 0.0000000000000000, 0.0001253300000000 ] - [ -0.0001583300000000, 0.0000019100000000, 0.0001916100000000 ] - [ -0.0007137500000000, 0.0000006700000000, -0.0005690500000000 ] - [ -0.0005863400000000, 0.0000000000000000, -0.0005025100000000 ] - [ -0.0007137500000000, -0.0000006700000000, -0.0005690500000000 ] - [ -0.0045014900000000, 0.0000000000000000, 0.0080115600000000 ] - [ -0.0003463100000000, 0.0001513900000000, 0.0010905300000000 ] - [ -0.0003463100000000, -0.0001513900000000, 0.0010905300000000 ] - [ 0.0006623500000000, 0.0001367800000000, 0.0006218500000000 ] - [ 0.0002849300000000, 0.0000000000000000, -0.0000794200000000 ] - [ 0.0006623500000000, -0.0001367800000000, 0.0006218500000000 ] - [ -0.0048226200000000, 0.0000000000000000, -0.0052560100000000 ] - [ -0.0006592400000000, -0.0000823700000000, -0.0007501900000000 ] - [ -0.0006592400000000, 0.0000823700000000, -0.0007501900000000 ] - [ 0.0012147400000000, 0.0000508800000000, -0.0004638900000000 ] - [ 0.0006851200000000, 0.0000000000000000, -0.0000497500000000 ] - [ 0.0012147400000000, -0.0000508800000000, -0.0004638900000000 ] - [ 0.0106173000000000, 0.0000000000000000, -0.0116809700000000 ] - [ -0.0003817100000000, 0.0003290800000000, -0.0004733100000000 ] - [ -0.0003817100000000, -0.0003290800000000, -0.0004733100000000 ] - [ 0.0005410200000000, 0.0000702100000000, -0.0000718500000000 ] - [ 0.0003599800000000, 0.0000000000000000, 0.0000088900000000 ] - [ 0.0005410200000000, -0.0000702100000000, -0.0000718500000000 ] - [ -0.0247377400000000, 0.0000000000000000, 0.3377428500000000 ] - [ -0.0022573700000000, -0.0001918200000000, 0.0009112900000000 ] - [ -0.0022573700000000, 0.0001918200000000, 0.0009112900000000 ] - [ 0.0011596300000000, 0.0000102400000000, -0.0000932400000000 ] - [ 0.0009424700000000, 0.0000000000000000, -0.0000916500000000 ] - [ 0.0011596300000000, -0.0000102400000000, -0.0000932400000000 ] - [ 0.0011903300000000, 0.0000000000000000, -0.0008425500000000 ] - [ 0.0010798800000000, 0.0001963900000000, -0.0008501900000000 ] - [ 0.0010798800000000, -0.0001963900000000, -0.0008501900000000 ] - [ 0.0033511100000000, 0.0066786300000000, 0.0014087900000000 ] - [ 0.0008075600000000, 0.0000000000000000, 0.0005577400000000 ] - [ 0.0033511100000000, -0.0066786300000000, 0.0014087900000000 ] - [ 0.0010933800000000, 0.0000000000000000, -0.0003787800000000 ] - [ 0.0003237200000000, 0.0002521200000000, -0.0000403600000000 ] - [ 0.0003237200000000, -0.0002521200000000, -0.0000403600000000 ] - [ -0.0004758900000000, 0.0008875100000000, -0.0004995500000000 ] - [ -0.0006720400000000, 0.0000000000000000, -0.0001838500000000 ] - [ -0.0004758900000000, -0.0008875100000000, -0.0004995500000000 ] - [ 0.0033101400000000, 0.0000000000000000, -0.0028078700000000 ] - [ 0.0017575000000000, 0.0006802300000000, -0.0004240800000000 ] - [ 0.0017575000000000, -0.0006802300000000, -0.0004240800000000 ] - [ -0.0010629300000000, 0.0001669500000000, 0.0004877100000000 ] - [ -0.0009260400000000, 0.0000000000000000, 0.0005302300000000 ] - [ -0.0010629300000000, -0.0001669500000000, 0.0004877100000000 ] - [ 0.0003938000000000, -0.0000939300000000, 0.0012309300000000 ] - [ 0.0000669600000000, 0.0000000000000000, 0.0006084400000000 ] - [ 0.0003938000000000, 0.0000939300000000, 0.0012309300000000 ] - [ 0.0048866200000000, 0.0000000000000000, 0.0093376900000000 ] - [ 0.0002707900000000, -0.0003210200000000, 0.0004148500000000 ] - [ 0.0002707900000000, 0.0003210200000000, 0.0004148500000000 ] - [ 0.0010915500000000, -0.0000474100000000, -0.0005991300000000 ] - [ 0.0006339600000000, 0.0000000000000000, -0.0000392500000000 ] - [ 0.0010915500000000, 0.0000474100000000, -0.0005991300000000 ] - [ -0.0349150900000000, 0.0000000000000000, -0.0197263100000000 ] - [ -0.0003570600000000, 0.0000848900000000, -0.0002424800000000 ] - [ -0.0003570600000000, -0.0000848900000000, -0.0002424800000000 ] - [ 0.0007660100000000, 0.0000112300000000, 0.0005039500000000 ] - [ 0.0006862000000000, 0.0000000000000000, 0.0004280600000000 ] - [ 0.0007660100000000, -0.0000112300000000, 0.0005039500000000 ] - [ 0.0039257300000000, 0.0000000000000000, -0.0088087400000000 ] - [ -0.0003635100000000, -0.0001649900000000, -0.0011477400000000 ] - [ -0.0003635100000000, 0.0001649900000000, -0.0011477400000000 ] - [ 0.0004330400000000, 0.0000032100000000, 0.0001459500000000 ] - [ 0.0002057500000000, 0.0000000000000000, 0.0001047600000000 ] - [ 0.0004330400000000, -0.0000032100000000, 0.0001459500000000 ] - [ 0.0403393200000000, 0.0000000000000000, -0.0837481000000000 ] - [ -0.0008958100000000, -0.0006573300000000, 0.0001124500000000 ] - [ -0.0008958100000000, 0.0006573300000000, 0.0001124500000000 ] - [ 0.0033954400000000, -0.0047082000000000, -0.0013636700000000 ] - [ 0.0015090700000000, 0.0000000000000000, -0.0010258200000000 ] - [ 0.0033954400000000, 0.0047082000000000, -0.0013636700000000 ] - [ 0.0008163100000000, 0.0000000000000000, 0.0007260400000000 ] - [ 0.0007845300000000, -0.0001256400000000, 0.0006984500000000 ] - [ 0.0007845300000000, 0.0001256400000000, 0.0006984500000000 ] - [ 0.0003486600000000, 0.0003642300000000, -0.0006665400000000 ] - [ 0.0004460400000000, 0.0000000000000000, -0.0001045900000000 ] - [ 0.0003486600000000, -0.0003642300000000, -0.0006665400000000 ] - [ -0.0018596500000000, 0.0000000000000000, -0.0007058000000000 ] - [ -0.0006902700000000, 0.0000257400000000, -0.0000223400000000 ] - [ -0.0006902700000000, -0.0000257400000000, -0.0000223400000000 ] - [ 0.0016635500000000, 0.0000246500000000, 0.0001624300000000 ] - [ 0.0018298400000000, 0.0000000000000000, -0.0000659000000000 ] - [ 0.0016635500000000, -0.0000246500000000, 0.0001624300000000 ] - [ 0.0013014600000000, 0.0000000000000000, -0.0015501700000000 ] - [ -0.0007707000000000, -0.0005955700000000, 0.0001212300000000 ] - [ -0.0007707000000000, 0.0005955700000000, 0.0001212300000000 ]- atom: 82 displacement: [ 0.0099999983408567, 0.0000000000000000, 0.0000057604567923 ] forces: - [ -0.0072790000000000, -0.0072653800000000, -0.0001449800000000 ] - [ -0.0072790000000000, 0.0072653800000000, -0.0001449800000000 ] - [ -0.0018852900000000, 0.0000000000000000, -0.0004058200000000 ] - [ -0.0039705900000000, 0.0000000000000000, -0.0162173800000000 ] - [ 0.0007611000000000, 0.0016042400000000, -0.0008576100000000 ] - [ 0.0007611000000000, -0.0016042400000000, -0.0008576100000000 ] - [ -0.0016154100000000, -0.0018768100000000, 0.0009300200000000 ] - [ -0.0016154100000000, 0.0018768100000000, 0.0009300200000000 ] - [ -0.0009301800000000, 0.0000000000000000, -0.0001243400000000 ] - [ -0.0036844400000000, 0.0000000000000000, 0.0064521300000000 ] - [ 0.0008559200000000, 0.0016489200000000, 0.0013746400000000 ] - [ 0.0008559200000000, -0.0016489200000000, 0.0013746400000000 ] - [ -0.0064802200000000, -0.0023761800000000, -0.0024278300000000 ] - [ -0.0064802200000000, 0.0023761800000000, -0.0024278300000000 ] - [ -0.0048511200000000, 0.0000000000000000, -0.0008207000000000 ] - [ 0.1416223600000000, 0.0000000000000000, -0.0255540000000000 ] - [ 0.0069443300000000, 0.0070594700000000, 0.0001196500000000 ] - [ 0.0069443300000000, -0.0070594700000000, 0.0001196500000000 ] - [ -0.0183991800000000, 0.0000000000000000, 0.0039657900000000 ] - [ -0.0003052600000000, -0.0026289200000000, 0.0000724000000000 ] - [ -0.0003052600000000, 0.0026289200000000, 0.0000724000000000 ] - [ -0.0032172200000000, 0.0025722000000000, -0.0013639200000000 ] - [ -0.0032172200000000, -0.0025722000000000, -0.0013639200000000 ] - [ -0.0018055200000000, 0.0000000000000000, -0.0007378500000000 ] - [ -0.0015745300000000, 0.0000000000000000, -0.0197526200000000 ] - [ 0.0027455500000000, -0.0030255600000000, 0.0001702700000000 ] - [ 0.0027455500000000, 0.0030255600000000, 0.0001702700000000 ] - [ -0.0043392000000000, 0.0030714300000000, -0.0010462200000000 ] - [ -0.0043392000000000, -0.0030714300000000, -0.0010462200000000 ] - [ -0.0027613100000000, 0.0000000000000000, -0.0006558100000000 ] - [ -0.0126862100000000, 0.0000000000000000, 0.0066104900000000 ] - [ 0.0014865400000000, -0.0034377200000000, 0.0004116400000000 ] - [ 0.0014865400000000, 0.0034377200000000, 0.0004116400000000 ] - [ -0.0060265500000000, 0.0021791800000000, 0.0003444000000000 ] - [ -0.0060265500000000, -0.0021791800000000, 0.0003444000000000 ] - [ -0.0041439900000000, 0.0000000000000000, 0.0003905300000000 ] - [ 0.0118250100000000, 0.0000000000000000, 0.0050154800000000 ] - [ 0.0028017400000000, -0.0001164000000000, 0.0022623500000000 ] - [ 0.0028017400000000, 0.0001164000000000, 0.0022623500000000 ] - [ -0.0024725800000000, 0.0000224600000000, -0.0015653200000000 ] - [ -0.0024725800000000, -0.0000224600000000, -0.0015653200000000 ] - [ -0.0018052200000000, 0.0000000000000000, -0.0011154000000000 ] - [ -0.0008208000000000, -0.0000040000000000, 0.0016758000000000 ] - [ -0.0008208000000000, 0.0000040000000000, 0.0016758000000000 ] - [ -0.0005863300000000, 0.0000000000000000, 0.0012045900000000 ] - [ -0.0027194700000000, -0.0000247300000000, -0.0020156800000000 ] - [ -0.0027194700000000, 0.0000247300000000, -0.0020156800000000 ] - [ -0.0019312900000000, 0.0000000000000000, -0.0014549500000000 ] - [ -0.0022567100000000, 0.0000090100000000, -0.0017175600000000 ] - [ -0.0022567100000000, -0.0000090100000000, -0.0017175600000000 ] - [ -0.0015248000000000, 0.0000000000000000, -0.0011311500000000 ] - [ 0.0064454500000000, 0.0000000000000000, 0.0049343400000000 ] - [ 0.0023937200000000, -0.0000781500000000, 0.0018507400000000 ] - [ 0.0023937200000000, 0.0000781500000000, 0.0018507400000000 ] - [ 0.0153075800000000, 0.0000000000000000, 0.0394391800000000 ] - [ 0.0010326700000000, -0.0005219900000000, -0.0022361100000000 ] - [ 0.0010326700000000, 0.0005219900000000, -0.0022361100000000 ] - [ 0.1593946200000000, 0.0000000000000000, 0.1154743400000000 ] - [ 0.0021736900000000, -0.0007445500000000, 0.0013767300000000 ] - [ 0.0021736900000000, 0.0007445500000000, 0.0013767300000000 ] - [ 0.0018510600000000, 0.0006575700000000, 0.0037197500000000 ] - [ 0.0018510600000000, -0.0006575700000000, 0.0037197500000000 ] - [ 0.0006247600000000, 0.0000000000000000, 0.0013409500000000 ] - [ 0.0178047700000000, 0.0000000000000000, 0.0270495600000000 ] - [ -0.0004983100000000, -0.0007701100000000, 0.0004106900000000 ] - [ -0.0004983100000000, 0.0007701100000000, 0.0004106900000000 ] - [ 0.0036618800000000, 0.0007048000000000, -0.0008319000000000 ] - [ 0.0036618800000000, -0.0007048000000000, -0.0008319000000000 ] - [ 0.0018408300000000, 0.0000000000000000, 0.0004714900000000 ] - [ -0.0076368600000000, 0.0000000000000000, -0.0030283900000000 ] - [ -0.0018184700000000, -0.0001593300000000, -0.0013479900000000 ] - [ -0.0018184700000000, 0.0001593300000000, -0.0013479900000000 ] - [ 0.0032695800000000, 0.0002354100000000, 0.0012699900000000 ] - [ 0.0032695800000000, -0.0002354100000000, 0.0012699900000000 ] - [ 0.0023740000000000, 0.0000000000000000, 0.0010076500000000 ] - [ 0.0006283600000000, 0.0000000000000000, -0.0155500000000000 ] - [ -0.0023534900000000, -0.0004952500000000, -0.0018657400000000 ] - [ -0.0023534900000000, 0.0004952500000000, -0.0018657400000000 ] - [ 0.0036877500000000, 0.0000878800000000, -0.0000377500000000 ] - [ 0.0036877500000000, -0.0000878800000000, -0.0000377500000000 ] - [ 0.0024923600000000, 0.0000000000000000, -0.0000709600000000 ] - [ -0.3953400000000000, 0.0000000000000000, -0.1257056500000000 ] - [ -0.0061086700000000, 0.0009789500000000, 0.0008522300000000 ] - [ -0.0061086700000000, -0.0009789500000000, 0.0008522300000000 ] - [ 0.0055157700000000, 0.0180433200000000, -0.0020328700000000 ] - [ 0.0055157700000000, -0.0180433200000000, -0.0020328700000000 ] - [ 0.0015188300000000, 0.0000000000000000, -0.0010132300000000 ] - [ 0.0040086100000000, 0.0000000000000000, 0.0009421600000000 ] - [ 0.0011400700000000, -0.0013215000000000, 0.0008162300000000 ] - [ 0.0011400700000000, 0.0013215000000000, 0.0008162300000000 ] - [ 0.0008887800000000, 0.0024253700000000, -0.0010374700000000 ] - [ 0.0008887800000000, -0.0024253700000000, -0.0010374700000000 ] - [ 0.0006651900000000, 0.0000000000000000, -0.0002188200000000 ] - [ 0.0007564700000000, 0.0000000000000000, 0.0005716900000000 ] - [ -0.0007557000000000, -0.0011991300000000, -0.0001429200000000 ] - [ -0.0007557000000000, 0.0011991300000000, -0.0001429200000000 ] - [ 0.0026518200000000, 0.0026022400000000, 0.0003480800000000 ] - [ 0.0026518200000000, -0.0026022400000000, 0.0003480800000000 ] - [ 0.0022636700000000, 0.0000000000000000, -0.0000083500000000 ] - [ 0.0133928900000000, 0.0000000000000000, -0.0046265600000000 ] - [ -0.0011901300000000, -0.0027029200000000, -0.0002926800000000 ] - [ -0.0011901300000000, 0.0027029200000000, -0.0002926800000000 ] - [ 0.0038694100000000, 0.0000000000000000, -0.0027307000000000 ] - [ -0.0004556000000000, 0.0006508900000000, -0.0000866700000000 ] - [ -0.0004556000000000, -0.0006508900000000, -0.0000866700000000 ] - [ 0.0013645400000000, -0.0004723300000000, 0.0011942500000000 ] - [ 0.0013645400000000, 0.0004723300000000, 0.0011942500000000 ] - [ 0.0008032500000000, 0.0000000000000000, 0.0004122900000000 ] - [ 0.0485631700000000, 0.0000000000000000, 0.0448374300000000 ] - [ -0.0011838100000000, 0.0007724100000000, -0.0008616600000000 ] - [ -0.0011838100000000, -0.0007724100000000, -0.0008616600000000 ] - [ 0.0026128000000000, -0.0004354000000000, 0.0011744000000000 ] - [ 0.0026128000000000, 0.0004354000000000, 0.0011744000000000 ] - [ 0.0018136600000000, 0.0000000000000000, 0.0007279400000000 ] - [ -0.0054514100000000, 0.0000000000000000, -0.0019043000000000 ] - [ -0.0025009400000000, 0.0004174100000000, -0.0008203300000000 ] - [ -0.0025009400000000, -0.0004174100000000, -0.0008203300000000 ] - [ 0.0029606100000000, -0.0003567000000000, 0.0004411100000000 ] - [ 0.0029606100000000, 0.0003567000000000, 0.0004411100000000 ] - [ 0.0019533900000000, 0.0000000000000000, 0.0004014700000000 ] - [ 0.0025752300000000, 0.0000000000000000, -0.0400779300000000 ] - [ -0.0041610800000000, 0.0005862200000000, 0.0003876300000000 ] - [ -0.0041610800000000, -0.0005862200000000, 0.0003876300000000 ] - [ 0.0049116000000000, -0.0000878600000000, -0.0003747900000000 ] - [ 0.0049116000000000, 0.0000878600000000, -0.0003747900000000 ] - [ 0.0034956400000000, 0.0000000000000000, -0.0003402500000000 ] - [ 0.0057143200000000, 0.0000000000000000, -0.0012466200000000 ] - [ 0.0019890900000000, 0.0010631200000000, -0.0009796800000000 ] - [ 0.0019890900000000, -0.0010631200000000, -0.0009796800000000 ] - [ 0.0016198000000000, -0.0047518400000000, 0.0001469000000000 ] - [ 0.0016198000000000, 0.0047518400000000, 0.0001469000000000 ] - [ 0.0007082400000000, 0.0000000000000000, 0.0004490500000000 ] - [ 0.0058086300000000, 0.0000000000000000, 0.0022558000000000 ] - [ 0.0005578000000000, 0.0013191300000000, 0.0001257100000000 ] - [ 0.0005578000000000, -0.0013191300000000, 0.0001257100000000 ] - [ 0.0004067400000000, -0.0049341100000000, 0.0008769600000000 ] - [ 0.0004067400000000, 0.0049341100000000, 0.0008769600000000 ] - [ -0.0002572100000000, 0.0000000000000000, 0.0001853900000000 ] - [ 0.0043462500000000, 0.0000000000000000, 0.0016739400000000 ] - [ 0.0015140800000000, 0.0013089200000000, -0.0000709700000000 ] - [ 0.0015140800000000, -0.0013089200000000, -0.0000709700000000 ] - [ 0.0011304500000000, -0.0034844000000000, 0.0007667800000000 ] - [ 0.0011304500000000, 0.0034844000000000, 0.0007667800000000 ] - [ -0.0001331400000000, 0.0000000000000000, 0.0007567500000000 ]- atom: 82 displacement: [ -0.0099999983408567, 0.0000000000000000, -0.0000057604567923 ] forces: - [ 0.0077351100000000, 0.0073720600000000, 0.0003422700000000 ] - [ 0.0077351100000000, -0.0073720600000000, 0.0003422700000000 ] - [ 0.0022749600000000, 0.0000000000000000, 0.0005982500000000 ] - [ 0.0036839700000000, 0.0000000000000000, 0.0162010500000000 ] - [ -0.0010935000000000, -0.0016258500000000, 0.0006117400000000 ] - [ -0.0010935000000000, 0.0016258500000000, 0.0006117400000000 ] - [ 0.0037198500000000, 0.0019028600000000, -0.0008569300000000 ] - [ 0.0037198500000000, -0.0019028600000000, -0.0008569300000000 ] - [ 0.0030265100000000, 0.0000000000000000, 0.0002085600000000 ] - [ 0.0024393100000000, 0.0000000000000000, -0.0069890000000000 ] - [ -0.0021575800000000, -0.0016694500000000, -0.0018502300000000 ] - [ -0.0021575800000000, 0.0016694500000000, -0.0018502300000000 ] - [ 0.0037047900000000, 0.0024112500000000, 0.0022002300000000 ] - [ 0.0037047900000000, -0.0024112500000000, 0.0022002300000000 ] - [ 0.0020499500000000, 0.0000000000000000, 0.0005684300000000 ] - [ -0.1509270900000000, 0.0000000000000000, 0.0290686400000000 ] - [ -0.0077595400000000, -0.0071404400000000, 0.0010456700000000 ] - [ -0.0077595400000000, 0.0071404400000000, 0.0010456700000000 ] - [ 0.0190060100000000, 0.0000000000000000, -0.0038682100000000 ] - [ 0.0006771100000000, 0.0026566700000000, 0.0001160500000000 ] - [ 0.0006771100000000, -0.0026566700000000, 0.0001160500000000 ] - [ 0.0029368800000000, -0.0026005800000000, 0.0011333100000000 ] - [ 0.0029368800000000, 0.0026005800000000, 0.0011333100000000 ] - [ 0.0015085600000000, 0.0000000000000000, 0.0004958000000000 ] - [ 0.0036713500000000, 0.0000000000000000, 0.0201447500000000 ] - [ -0.0006916400000000, 0.0030630800000000, -0.0000934000000000 ] - [ -0.0006916400000000, -0.0030630800000000, -0.0000934000000000 ] - [ 0.0031062900000000, -0.0031158700000000, 0.0006003900000000 ] - [ 0.0031062900000000, 0.0031158700000000, 0.0006003900000000 ] - [ 0.0015086700000000, 0.0000000000000000, 0.0002068800000000 ] - [ 0.0100740500000000, 0.0000000000000000, -0.0068905700000000 ] - [ -0.0043575700000000, 0.0034773300000000, -0.0006709700000000 ] - [ -0.0043575700000000, -0.0034773300000000, -0.0006709700000000 ] - [ 0.0053844400000000, -0.0022072300000000, 0.0008081400000000 ] - [ 0.0053844400000000, 0.0022072300000000, 0.0008081400000000 ] - [ 0.0034790000000000, 0.0000000000000000, 0.0007646300000000 ] - [ -0.0113291500000000, 0.0000000000000000, -0.0044927700000000 ] - [ -0.0021878200000000, 0.0001196100000000, -0.0016318400000000 ] - [ -0.0021878200000000, -0.0001196100000000, -0.0016318400000000 ] - [ 0.0025228500000000, -0.0000226100000000, 0.0019208100000000 ] - [ 0.0025228500000000, 0.0000226100000000, 0.0019208100000000 ] - [ 0.0018482400000000, 0.0000000000000000, 0.0014662700000000 ] - [ 0.0009545100000000, 0.0000041500000000, -0.0021487900000000 ] - [ 0.0009545100000000, -0.0000041500000000, -0.0021487900000000 ] - [ 0.0007171200000000, 0.0000000000000000, -0.0016718700000000 ] - [ 0.0025294100000000, 0.0000252300000000, 0.0016847400000000 ] - [ 0.0025294100000000, -0.0000252300000000, 0.0016847400000000 ] - [ 0.0017310700000000, 0.0000000000000000, 0.0011169600000000 ] - [ 0.0029340000000000, -0.0000089800000000, 0.0023989200000000 ] - [ 0.0029340000000000, 0.0000089800000000, 0.0023989200000000 ] - [ 0.0021927900000000, 0.0000000000000000, 0.0018048500000000 ] - [ -0.0065215500000000, 0.0000000000000000, -0.0046658400000000 ] - [ -0.0024036400000000, 0.0000797900000000, -0.0015372000000000 ] - [ -0.0024036400000000, -0.0000797900000000, -0.0015372000000000 ] - [ -0.0142267600000000, 0.0000000000000000, -0.0408372500000000 ] - [ -0.0009184000000000, 0.0005292100000000, 0.0018093900000000 ] - [ -0.0009184000000000, -0.0005292100000000, 0.0018093900000000 ] - [ -0.1504775500000000, 0.0000000000000000, -0.1050463100000000 ] - [ -0.0024184700000000, 0.0007508600000000, -0.0017484500000000 ] - [ -0.0024184700000000, -0.0007508600000000, -0.0017484500000000 ] - [ -0.0023888800000000, -0.0006673700000000, -0.0035900800000000 ] - [ -0.0023888800000000, 0.0006673700000000, -0.0035900800000000 ] - [ -0.0011411400000000, 0.0000000000000000, -0.0011571400000000 ] - [ -0.0181207900000000, 0.0000000000000000, -0.0287383100000000 ] - [ 0.0005130900000000, 0.0007776100000000, -0.0015300900000000 ] - [ 0.0005130900000000, -0.0007776100000000, -0.0015300900000000 ] - [ -0.0035678700000000, -0.0007149900000000, 0.0008181300000000 ] - [ -0.0035678700000000, 0.0007149900000000, 0.0008181300000000 ] - [ -0.0017207300000000, 0.0000000000000000, -0.0005049700000000 ] - [ 0.0081229300000000, 0.0000000000000000, 0.0028864800000000 ] - [ 0.0022031900000000, 0.0001606400000000, 0.0011900200000000 ] - [ 0.0022031900000000, -0.0001606400000000, 0.0011900200000000 ] - [ -0.0030870900000000, -0.0002390800000000, -0.0008320200000000 ] - [ -0.0030870900000000, 0.0002390800000000, -0.0008320200000000 ] - [ -0.0021829900000000, 0.0000000000000000, -0.0005675300000000 ] - [ -0.0008643800000000, 0.0000000000000000, 0.0155588500000000 ] - [ 0.0021037000000000, 0.0005004900000000, 0.0016493400000000 ] - [ 0.0021037000000000, -0.0005004900000000, 0.0016493400000000 ] - [ -0.0049655200000000, -0.0000899400000000, 0.0003270500000000 ] - [ -0.0049655200000000, 0.0000899400000000, 0.0003270500000000 ] - [ -0.0037571400000000, 0.0000000000000000, 0.0003614900000000 ] - [ 0.3952174400000000, 0.0000000000000000, 0.1131448300000000 ] - [ 0.0063519500000000, -0.0009975900000000, -0.0009244100000000 ] - [ 0.0063519500000000, 0.0009975900000000, -0.0009244100000000 ] - [ -0.0036058500000000, -0.0183313000000000, 0.0001849100000000 ] - [ -0.0036058500000000, 0.0183313000000000, 0.0001849100000000 ] - [ 0.0003839900000000, 0.0000000000000000, -0.0008345100000000 ] - [ -0.0029591200000000, 0.0000000000000000, 0.0002801500000000 ] - [ -0.0000486100000000, 0.0013374000000000, 0.0004058000000000 ] - [ -0.0000486100000000, -0.0013374000000000, 0.0004058000000000 ] - [ -0.0002454800000000, -0.0024550900000000, 0.0011487600000000 ] - [ -0.0002454800000000, 0.0024550900000000, 0.0011487600000000 ] - [ -0.0000183100000000, 0.0000000000000000, 0.0003226100000000 ] - [ -0.0023430400000000, 0.0000000000000000, -0.0007012600000000 ] - [ -0.0008119200000000, 0.0012133100000000, 0.0000260600000000 ] - [ -0.0008119200000000, -0.0012133100000000, 0.0000260600000000 ] - [ 0.0006070800000000, -0.0026428300000000, -0.0006775800000000 ] - [ 0.0006070800000000, 0.0026428300000000, -0.0006775800000000 ] - [ 0.0009994200000000, 0.0000000000000000, -0.0003154700000000 ] - [ -0.0157846500000000, 0.0000000000000000, 0.0057203700000000 ] - [ -0.0008923400000000, 0.0027431300000000, 0.0013002300000000 ] - [ -0.0008923400000000, -0.0027431300000000, 0.0013002300000000 ] - [ -0.0043864800000000, 0.0000000000000000, 0.0028882900000000 ] - [ -0.0000525000000000, -0.0006560300000000, 0.0002631100000000 ] - [ -0.0000525000000000, 0.0006560300000000, 0.0002631100000000 ] - [ -0.0013746300000000, 0.0004776800000000, -0.0023176600000000 ] - [ -0.0013746300000000, -0.0004776800000000, -0.0023176600000000 ] - [ -0.0008046100000000, 0.0000000000000000, -0.0015201700000000 ] - [ -0.0488587000000000, 0.0000000000000000, -0.0451456600000000 ] - [ 0.0013325700000000, -0.0007801400000000, 0.0008527700000000 ] - [ 0.0013325700000000, 0.0007801400000000, 0.0008527700000000 ] - [ -0.0022830200000000, 0.0004412100000000, -0.0013671200000000 ] - [ -0.0022830200000000, -0.0004412100000000, -0.0013671200000000 ] - [ -0.0014696500000000, 0.0000000000000000, -0.0009155800000000 ] - [ 0.0057358900000000, 0.0000000000000000, 0.0023875500000000 ] - [ 0.0027529700000000, -0.0004232200000000, 0.0012836200000000 ] - [ 0.0027529700000000, 0.0004232200000000, 0.0012836200000000 ] - [ -0.0032807900000000, 0.0003611200000000, -0.0006849400000000 ] - [ -0.0032807900000000, -0.0003611200000000, -0.0006849400000000 ] - [ -0.0022594400000000, 0.0000000000000000, -0.0006463800000000 ] - [ -0.0043123000000000, 0.0000000000000000, 0.0410741700000000 ] - [ 0.0029758500000000, -0.0005948400000000, -0.0001022800000000 ] - [ 0.0029758500000000, 0.0005948400000000, -0.0001022800000000 ] - [ -0.0048046700000000, 0.0000881900000000, 0.0003198700000000 ] - [ -0.0048046700000000, -0.0000881900000000, 0.0003198700000000 ] - [ -0.0033728400000000, 0.0000000000000000, 0.0002853900000000 ] - [ -0.0038619400000000, 0.0000000000000000, -0.0006024700000000 ] - [ -0.0000864100000000, -0.0010741000000000, -0.0008697200000000 ] - [ -0.0000864100000000, 0.0010741000000000, -0.0008697200000000 ] - [ -0.0005402600000000, 0.0048089800000000, 0.0010805100000000 ] - [ -0.0005402600000000, -0.0048089800000000, 0.0010805100000000 ] - [ 0.0003840600000000, 0.0000000000000000, 0.0007773900000000 ] - [ -0.0052445400000000, 0.0000000000000000, -0.0021942000000000 ] - [ 0.0000894200000000, -0.0013364100000000, -0.0000295600000000 ] - [ 0.0000894200000000, 0.0013364100000000, -0.0000295600000000 ] - [ -0.0019903500000000, 0.0049913700000000, -0.0010078900000000 ] - [ -0.0019903500000000, -0.0049913700000000, -0.0010078900000000 ] - [ -0.0013178900000000, 0.0000000000000000, -0.0003058700000000 ] - [ -0.0011062500000000, 0.0000000000000000, -0.0020156200000000 ] - [ 0.0017566200000000, -0.0013273400000000, -0.0002527200000000 ] - [ 0.0017566200000000, 0.0013273400000000, -0.0002527200000000 ] - [ -0.0032400400000000, 0.0035305800000000, 0.0002305000000000 ] - [ -0.0032400400000000, -0.0035305800000000, 0.0002305000000000 ] - [ -0.0019608200000000, 0.0000000000000000, 0.0002373700000000 ]- atom: 82 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0017138100000000, 0.0005718000000000, 0.0005969300000000 ] - [ 0.0020588900000000, 0.0005783400000000, -0.0004062000000000 ] - [ 0.0001818000000000, -0.0009460100000000, 0.0000938200000000 ] - [ -0.0001602600000000, 0.0006736900000000, -0.0001144400000000 ] - [ 0.0004071600000000, -0.0003014300000000, 0.0005658900000000 ] - [ -0.0007210600000000, -0.0002989800000000, -0.0008158500000000 ] - [ 0.0009859600000000, 0.0002477400000000, 0.0004182500000000 ] - [ 0.0010864000000000, 0.0002470600000000, -0.0003340300000000 ] - [ 0.0010365000000000, -0.0004654000000000, 0.0000411500000000 ] - [ -0.0006350000000000, 0.0009091900000000, -0.0002193000000000 ] - [ -0.0000060700000000, -0.0003591800000000, -0.0004515200000000 ] - [ -0.0012712800000000, -0.0003604300000000, -0.0000020800000000 ] - [ -0.0015371300000000, 0.0002410700000000, -0.0005344300000000 ] - [ -0.0013006100000000, 0.0002370300000000, 0.0002740900000000 ] - [ -0.0014215300000000, -0.0004870900000000, -0.0001313200000000 ] - [ 0.0000926500000000, 0.0189010600000000, 0.0004935700000000 ] - [ 0.0020413400000000, -0.0033186400000000, 0.0001947300000000 ] - [ -0.0027242700000000, -0.0033314400000000, 0.0009564300000000 ] - [ 0.0001974700000000, 0.0008494100000000, 0.0000733600000000 ] - [ -0.0006886900000000, -0.0003908900000000, -0.0000810900000000 ] - [ 0.0010472000000000, -0.0003905800000000, 0.0002688900000000 ] - [ -0.0000336800000000, 0.0001655800000000, -0.0001095200000000 ] - [ -0.0002832100000000, 0.0001691800000000, -0.0001356100000000 ] - [ -0.0001593800000000, -0.0003178000000000, -0.0001242500000000 ] - [ 0.0010398300000000, 0.0008022300000000, 0.0000720700000000 ] - [ 0.0005467300000000, -0.0003239000000000, -0.0006339800000000 ] - [ 0.0015203500000000, -0.0003267000000000, 0.0007049200000000 ] - [ -0.0006092400000000, 0.0001538600000000, -0.0001942300000000 ] - [ -0.0006674500000000, 0.0001611800000000, -0.0002612000000000 ] - [ -0.0006392700000000, -0.0003001000000000, -0.0002268600000000 ] - [ -0.0013918200000000, 0.0009280300000000, -0.0001241600000000 ] - [ -0.0023185700000000, -0.0004837700000000, 0.0002524200000000 ] - [ -0.0005307600000000, -0.0004864300000000, -0.0005034400000000 ] - [ -0.0003486100000000, 0.0001482800000000, 0.0005797100000000 ] - [ -0.0003621600000000, 0.0001517300000000, 0.0005716000000000 ] - [ -0.0003558700000000, -0.0003032400000000, 0.0005761300000000 ] - [ 0.0002985600000000, -0.0000683000000000, 0.0003299400000000 ] - [ 0.0004803700000000, -0.0000912100000000, 0.0005019000000000 ] - [ 0.0001670500000000, -0.0000910900000000, 0.0001562500000000 ] - [ -0.0000274400000000, 0.0000018200000000, 0.0001519400000000 ] - [ 0.0000485300000000, 0.0000017800000000, 0.0001838000000000 ] - [ 0.0000107000000000, -0.0000073300000000, 0.0001680000000000 ] - [ 0.0000435200000000, 0.0000064000000000, -0.0002052100000000 ] - [ 0.0000790500000000, 0.0000063700000000, -0.0002451500000000 ] - [ 0.0000612700000000, -0.0000129400000000, -0.0002252100000000 ] - [ -0.0002062000000000, 0.0000097400000000, -0.0002401400000000 ] - [ -0.0000181300000000, 0.0000096800000000, -0.0001145200000000 ] - [ -0.0001119200000000, -0.0000172700000000, -0.0001771400000000 ] - [ 0.0002996500000000, 0.0000045200000000, 0.0003114600000000 ] - [ 0.0003472000000000, 0.0000044800000000, 0.0003458900000000 ] - [ 0.0003229300000000, -0.0000104300000000, 0.0003282900000000 ] - [ 0.0000103900000000, 0.0002878400000000, 0.0001651000000000 ] - [ -0.0000497600000000, -0.0000874100000000, 0.0000406400000000 ] - [ 0.0000699400000000, -0.0000869200000000, 0.0002934600000000 ] - [ 0.0000157800000000, 0.0162636700000000, -0.0003140300000000 ] - [ -0.0001459900000000, -0.0005427800000000, 0.0004848700000000 ] - [ 0.0002679000000000, -0.0005369800000000, -0.0009300900000000 ] - [ -0.0011795100000000, 0.0170798400000000, -0.0009861700000000 ] - [ -0.0006353000000000, -0.0007217500000000, -0.0005898700000000 ] - [ 0.0004087000000000, -0.0007121500000000, 0.0002328600000000 ] - [ 0.0000133100000000, -0.0000542300000000, 0.0008061500000000 ] - [ -0.0005233100000000, -0.0000536900000000, -0.0006265700000000 ] - [ -0.0002529400000000, 0.0001092400000000, 0.0000998700000000 ] - [ -0.0000052600000000, -0.0018962300000000, -0.0005536900000000 ] - [ -0.0004678900000000, 0.0003057800000000, -0.0013381400000000 ] - [ 0.0004708000000000, 0.0003065200000000, 0.0002327400000000 ] - [ 0.0006007200000000, -0.0000497500000000, -0.0005894300000000 ] - [ -0.0004616800000000, -0.0000492300000000, 0.0005658700000000 ] - [ 0.0000711700000000, 0.0001048200000000, -0.0000140400000000 ] - [ 0.0001946700000000, -0.0002099600000000, -0.0000907000000000 ] - [ 0.0000329600000000, 0.0000846400000000, -0.0002045700000000 ] - [ 0.0003229200000000, 0.0000844400000000, 0.0000285100000000 ] - [ 0.0001888900000000, -0.0000323100000000, 0.0002072400000000 ] - [ 0.0000301200000000, -0.0000317300000000, 0.0002436400000000 ] - [ 0.0001085600000000, 0.0000623700000000, 0.0002248700000000 ] - [ -0.0001526300000000, -0.0026945800000000, -0.0001140000000000 ] - [ -0.0006371200000000, 0.0003038400000000, 0.0003847200000000 ] - [ 0.0003529500000000, 0.0003033700000000, -0.0006246700000000 ] - [ -0.0005364900000000, -0.0000169900000000, 0.0001498300000000 ] - [ -0.0006901900000000, -0.0000161400000000, 0.0001367700000000 ] - [ -0.0006134900000000, 0.0000329800000000, 0.0001435300000000 ] - [ 0.0009672800000000, -0.0352830900000000, 0.0008894400000000 ] - [ -0.0009153500000000, 0.0017077200000000, 0.0001027300000000 ] - [ 0.0010614100000000, 0.0016896600000000, -0.0001592800000000 ] - [ 0.0078392200000000, 0.0007614200000000, -0.0019670400000000 ] - [ -0.0059730300000000, 0.0006871700000000, 0.0001273700000000 ] - [ 0.0009565100000000, 0.0020933400000000, -0.0009246700000000 ] - [ 0.0005450600000000, -0.0004471700000000, 0.0006132200000000 ] - [ 0.0003709300000000, 0.0002314200000000, 0.0005949600000000 ] - [ 0.0007248900000000, 0.0002339200000000, 0.0006304900000000 ] - [ 0.0003562000000000, -0.0003579300000000, -0.0001432000000000 ] - [ 0.0002918500000000, -0.0003592900000000, 0.0002363900000000 ] - [ 0.0003242500000000, 0.0006204500000000, 0.0000495700000000 ] - [ -0.0007850200000000, -0.0004866700000000, -0.0000600100000000 ] - [ -0.0009524200000000, 0.0002179700000000, -0.0001090400000000 ] - [ -0.0006178700000000, 0.0002191100000000, -0.0000099400000000 ] - [ 0.0016803400000000, -0.0002774200000000, -0.0001542400000000 ] - [ 0.0015872600000000, -0.0002725200000000, -0.0001693600000000 ] - [ 0.0016339000000000, 0.0004998100000000, -0.0001610000000000 ] - [ -0.0010536000000000, -0.0011529200000000, 0.0004930400000000 ] - [ -0.0014244000000000, 0.0006407400000000, 0.0005783200000000 ] - [ -0.0006623100000000, 0.0006385200000000, 0.0004154800000000 ] - [ -0.0002498400000000, -0.0006299800000000, 0.0000970000000000 ] - [ 0.0000348800000000, 0.0001912200000000, 0.0000790900000000 ] - [ -0.0005438000000000, 0.0001894800000000, 0.0000957900000000 ] - [ -0.0000203000000000, -0.0000354800000000, -0.0005886500000000 ] - [ 0.0000257100000000, -0.0000360800000000, -0.0005132100000000 ] - [ 0.0000042600000000, 0.0000635400000000, -0.0005471500000000 ] - [ -0.0000387000000000, -0.0057267200000000, -0.0001112200000000 ] - [ 0.0007397900000000, 0.0003468500000000, 0.0005459500000000 ] - [ -0.0005981800000000, 0.0003437700000000, -0.0005609700000000 ] - [ 0.0001651000000000, -0.0000270800000000, -0.0000757500000000 ] - [ 0.0001932100000000, -0.0000276800000000, -0.0001019900000000 ] - [ 0.0001820700000000, 0.0000514900000000, -0.0000895300000000 ] - [ 0.0001067400000000, -0.0001952900000000, 0.0002263500000000 ] - [ 0.0002887700000000, 0.0000990300000000, 0.0003308100000000 ] - [ -0.0000676400000000, 0.0000993800000000, 0.0001206100000000 ] - [ -0.0001438900000000, -0.0000260100000000, -0.0001126400000000 ] - [ -0.0001404000000000, -0.0000260600000000, -0.0001261500000000 ] - [ -0.0001406500000000, 0.0000495600000000, -0.0001196600000000 ] - [ -0.0006455700000000, -0.0070544300000000, 0.0002832000000000 ] - [ -0.0001276300000000, 0.0003443600000000, -0.0004294000000000 ] - [ -0.0010942800000000, 0.0003416600000000, 0.0007110100000000 ] - [ 0.0001707900000000, -0.0000151300000000, -0.0000137200000000 ] - [ -0.0000053400000000, -0.0000145900000000, -0.0000446200000000 ] - [ 0.0000824000000000, 0.0000323900000000, -0.0000290900000000 ] - [ 0.0009535000000000, -0.0002414500000000, -0.0009247900000000 ] - [ 0.0011361100000000, 0.0001188100000000, -0.0009320100000000 ] - [ 0.0007802100000000, 0.0001196600000000, -0.0009186300000000 ] - [ 0.0003888500000000, -0.0003584900000000, 0.0007246000000000 ] - [ 0.0007065900000000, -0.0003652800000000, 0.0004995400000000 ] - [ 0.0005476200000000, 0.0007114200000000, 0.0006124200000000 ] - [ 0.0003165200000000, -0.0001196700000000, 0.0000451600000000 ] - [ 0.0004985700000000, 0.0001052800000000, 0.0001185800000000 ] - [ 0.0001520600000000, 0.0001079600000000, -0.0000217400000000 ] - [ -0.0008941400000000, -0.0003206300000000, -0.0000869700000000 ] - [ -0.0006758200000000, -0.0003303100000000, -0.0000316900000000 ] - [ -0.0007842000000000, 0.0005201400000000, -0.0000585100000000 ] - [ 0.0016314500000000, -0.0002873200000000, -0.0001636900000000 ] - [ 0.0018014200000000, 0.0001137300000000, -0.0001209400000000 ] - [ 0.0014683300000000, 0.0001182800000000, -0.0002009100000000 ] - [ -0.0011858400000000, -0.0002441100000000, 0.0004220400000000 ] - [ -0.0008983500000000, -0.0002532800000000, 0.0005749200000000 ] - [ -0.0010414000000000, 0.0004356500000000, 0.0004980500000000 ]- atom: 82 displacement: [ -0.0020604768976038, 0.0000000000000000, 0.0097854195083523 ] forces: - [ 0.0031526100000000, 0.0017325000000000, 0.0003719100000000 ] - [ 0.0031526100000000, -0.0017325000000000, 0.0003719100000000 ] - [ 0.0009165400000000, 0.0000000000000000, 0.0003605100000000 ] - [ -0.0016352700000000, 0.0000000000000000, 0.0023169000000000 ] - [ -0.0006267600000000, -0.0000839000000000, 0.0000470500000000 ] - [ -0.0006267600000000, 0.0000839000000000, 0.0000470500000000 ] - [ 0.0020035500000000, 0.0007844000000000, -0.0006372900000000 ] - [ 0.0020035500000000, -0.0007844000000000, -0.0006372900000000 ] - [ 0.0016462200000000, 0.0000000000000000, -0.0000497200000000 ] - [ 0.0064310500000000, 0.0000000000000000, -0.0083737800000000 ] - [ -0.0009160000000000, -0.0008436500000000, -0.0013942600000000 ] - [ -0.0009160000000000, 0.0008436500000000, -0.0013942600000000 ] - [ -0.0002947500000000, 0.0003933000000000, 0.0006566900000000 ] - [ -0.0002947500000000, -0.0003933000000000, 0.0006566900000000 ] - [ -0.0004781200000000, 0.0000000000000000, 0.0001333600000000 ] - [ -0.0520655000000000, 0.0000000000000000, 0.0257906900000000 ] - [ -0.0028151100000000, -0.0029330500000000, 0.0016591400000000 ] - [ -0.0028151100000000, 0.0029330500000000, 0.0016591400000000 ] - [ -0.0004098300000000, 0.0000000000000000, 0.0090602500000000 ] - [ 0.0005008400000000, 0.0002921000000000, 0.0011991400000000 ] - [ 0.0005008400000000, -0.0002921000000000, 0.0011991400000000 ] - [ 0.0024772300000000, -0.0009794900000000, -0.0007255300000000 ] - [ 0.0024772300000000, 0.0009794900000000, -0.0007255300000000 ] - [ 0.0008673300000000, 0.0000000000000000, -0.0001057700000000 ] - [ 0.0007375600000000, 0.0000000000000000, -0.0085268400000000 ] - [ 0.0009058000000000, -0.0001977800000000, -0.0005165800000000 ] - [ 0.0009058000000000, 0.0001977800000000, -0.0005165800000000 ] - [ -0.0003655300000000, 0.0002604000000000, -0.0004269300000000 ] - [ -0.0003655300000000, -0.0002604000000000, -0.0004269300000000 ] - [ -0.0001568700000000, 0.0000000000000000, -0.0002392700000000 ] - [ 0.0249272700000000, 0.0000000000000000, -0.0044635100000000 ] - [ -0.0015799500000000, 0.0029536400000000, -0.0003643900000000 ] - [ -0.0015799500000000, -0.0029536400000000, -0.0003643900000000 ] - [ 0.0012082000000000, -0.0003392000000000, 0.0013379900000000 ] - [ 0.0012082000000000, 0.0003392000000000, 0.0013379900000000 ] - [ 0.0008157600000000, 0.0000000000000000, 0.0008853300000000 ] - [ -0.0121787000000000, 0.0000000000000000, -0.0049389000000000 ] - [ -0.0007628600000000, 0.0002637000000000, -0.0005864800000000 ] - [ -0.0007628600000000, -0.0002637000000000, -0.0005864800000000 ] - [ 0.0006698700000000, 0.0000024000000000, 0.0006195300000000 ] - [ 0.0006698700000000, -0.0000024000000000, 0.0006195300000000 ] - [ 0.0005315100000000, 0.0000000000000000, 0.0005306400000000 ] - [ 0.0003108400000000, 0.0000014000000000, -0.0007068500000000 ] - [ 0.0003108400000000, -0.0000014000000000, -0.0007068500000000 ] - [ 0.0002511400000000, 0.0000000000000000, -0.0006208700000000 ] - [ 0.0006474000000000, 0.0000082000000000, 0.0003613000000000 ] - [ 0.0006474000000000, -0.0000082000000000, 0.0003613000000000 ] - [ 0.0004330300000000, 0.0000000000000000, 0.0002068400000000 ] - [ 0.0010164500000000, -0.0000008500000000, 0.0008525000000000 ] - [ 0.0010164500000000, 0.0000008500000000, 0.0008525000000000 ] - [ 0.0008625100000000, 0.0000000000000000, 0.0007454900000000 ] - [ -0.0028517100000000, 0.0000000000000000, -0.0038878400000000 ] - [ -0.0007404300000000, -0.0000468000000000, -0.0004634200000000 ] - [ -0.0007404300000000, 0.0000468000000000, -0.0004634200000000 ] - [ 0.0098957000000000, 0.0000000000000000, -0.0476365700000000 ] - [ -0.0003721300000000, 0.0005127200000000, 0.0009168600000000 ] - [ -0.0003721300000000, -0.0005127200000000, 0.0009168600000000 ] - [ 0.0921396200000000, 0.0000000000000000, 0.1046186400000000 ] - [ -0.0007530000000000, 0.0000637800000000, -0.0004486700000000 ] - [ -0.0007530000000000, -0.0000637800000000, -0.0004486700000000 ] - [ -0.0009841900000000, -0.0001520100000000, -0.0013497100000000 ] - [ -0.0009841900000000, 0.0001520100000000, -0.0013497100000000 ] - [ -0.0005539800000000, 0.0000000000000000, -0.0004305900000000 ] - [ 0.0034226600000000, 0.0000000000000000, -0.0089988600000000 ] - [ 0.0002305400000000, 0.0001454700000000, -0.0012265200000000 ] - [ 0.0002305400000000, -0.0001454700000000, -0.0012265200000000 ] - [ -0.0010941300000000, -0.0001179600000000, 0.0003006400000000 ] - [ -0.0010941300000000, 0.0001179600000000, 0.0003006400000000 ] - [ -0.0004836300000000, 0.0000000000000000, -0.0001166000000000 ] - [ 0.0065981200000000, 0.0000000000000000, 0.0069385400000000 ] - [ 0.0010051200000000, -0.0000804600000000, 0.0008450300000000 ] - [ 0.0010051200000000, 0.0000804600000000, 0.0008450300000000 ] - [ -0.0008291500000000, -0.0000833600000000, 0.0001160800000000 ] - [ -0.0008291500000000, 0.0000833600000000, 0.0001160800000000 ] - [ -0.0005581300000000, 0.0000000000000000, 0.0000494000000000 ] - [ -0.0114053100000000, 0.0000000000000000, 0.0159788100000000 ] - [ 0.0002948000000000, 0.0003950300000000, 0.0005322800000000 ] - [ 0.0002948000000000, -0.0003950300000000, 0.0005322800000000 ] - [ -0.0017400900000000, -0.0000136600000000, 0.0001956100000000 ] - [ -0.0017400900000000, 0.0000136600000000, 0.0001956100000000 ] - [ -0.0015014800000000, 0.0000000000000000, 0.0001990500000000 ] - [ -0.0375343100000000, 0.0000000000000000, -0.1798604900000000 ] - [ 0.0022356800000000, -0.0003361700000000, -0.0009540700000000 ] - [ 0.0022356800000000, 0.0003361700000000, -0.0009540700000000 ] - [ -0.0013313600000000, -0.0071035400000000, -0.0018255100000000 ] - [ -0.0013313600000000, 0.0071035400000000, -0.0018255100000000 ] - [ 0.0007026200000000, 0.0000000000000000, -0.0009543600000000 ] - [ 0.0001862600000000, 0.0000000000000000, 0.0005334300000000 ] - [ 0.0004548100000000, 0.0002826000000000, 0.0005400700000000 ] - [ 0.0004548100000000, -0.0002826000000000, 0.0005400700000000 ] - [ -0.0001848900000000, -0.0014892800000000, 0.0004403600000000 ] - [ -0.0001848900000000, 0.0014892800000000, 0.0004403600000000 ] - [ 0.0001561900000000, 0.0000000000000000, 0.0001695500000000 ] - [ -0.0020197100000000, 0.0000000000000000, 0.0005757200000000 ] - [ -0.0008118800000000, 0.0004136800000000, 0.0001045200000000 ] - [ -0.0008118800000000, -0.0004136800000000, 0.0001045200000000 ] - [ 0.0016680400000000, -0.0002233900000000, -0.0000629900000000 ] - [ 0.0016680400000000, 0.0002233900000000, -0.0000629900000000 ] - [ 0.0015263600000000, 0.0000000000000000, -0.0001237100000000 ] - [ -0.0029032500000000, 0.0000000000000000, 0.0022400100000000 ] - [ -0.0010567700000000, 0.0009200100000000, 0.0007175000000000 ] - [ -0.0010567700000000, -0.0009200100000000, 0.0007175000000000 ] - [ -0.0052745700000000, 0.0000000000000000, -0.0075106200000000 ] - [ -0.0006070500000000, -0.0003545300000000, -0.0009877500000000 ] - [ -0.0006070500000000, 0.0003545300000000, -0.0009877500000000 ] - [ -0.0006835400000000, 0.0001295900000000, -0.0015256200000000 ] - [ -0.0006835400000000, -0.0001295900000000, -0.0015256200000000 ] - [ -0.0003515500000000, 0.0000000000000000, -0.0010649400000000 ] - [ 0.0247694900000000, 0.0000000000000000, 0.0137895500000000 ] - [ 0.0005983700000000, 0.0000143600000000, 0.0000411000000000 ] - [ 0.0005983700000000, -0.0000143600000000, 0.0000411000000000 ] - [ -0.0008631200000000, 0.0000458200000000, 0.0003830600000000 ] - [ -0.0008631200000000, -0.0000458200000000, 0.0003830600000000 ] - [ -0.0004252400000000, 0.0000000000000000, -0.0000803700000000 ] - [ -0.0011838100000000, 0.0000000000000000, 0.0066079800000000 ] - [ 0.0006094000000000, -0.0001264000000000, 0.0011364200000000 ] - [ 0.0006094000000000, 0.0001264000000000, 0.0011364200000000 ] - [ -0.0008035900000000, 0.0000154900000000, -0.0004725800000000 ] - [ -0.0008035900000000, -0.0000154900000000, -0.0004725800000000 ] - [ -0.0007113000000000, 0.0000000000000000, -0.0003331000000000 ] - [ -0.0356770100000000, 0.0000000000000000, 0.0843965800000000 ] - [ 0.0004709400000000, -0.0007205900000000, 0.0000291900000000 ] - [ 0.0004709400000000, 0.0007205900000000, 0.0000291900000000 ] - [ -0.0012562000000000, 0.0000024800000000, -0.0000061100000000 ] - [ -0.0012562000000000, -0.0000024800000000, -0.0000061100000000 ] - [ -0.0009304500000000, 0.0000000000000000, 0.0000327400000000 ] - [ 0.0003288900000000, 0.0000000000000000, -0.0010525600000000 ] - [ 0.0006348500000000, -0.0001399700000000, -0.0010077900000000 ] - [ 0.0006348500000000, 0.0001399700000000, -0.0010077900000000 ] - [ -0.0017342900000000, 0.0045317700000000, 0.0011852600000000 ] - [ -0.0017342900000000, -0.0045317700000000, 0.0011852600000000 ] - [ 0.0000121900000000, 0.0000000000000000, 0.0007992200000000 ] - [ 0.0012692500000000, 0.0000000000000000, 0.0002403900000000 ] - [ 0.0002647600000000, -0.0000196700000000, -0.0000370600000000 ] - [ 0.0002647600000000, 0.0000196700000000, -0.0000370600000000 ] - [ -0.0007521900000000, -0.0004835800000000, 0.0005500300000000 ] - [ -0.0007521900000000, 0.0004835800000000, 0.0005500300000000 ] - [ -0.0008616900000000, 0.0000000000000000, 0.0000981700000000 ] - [ -0.0008611300000000, 0.0000000000000000, 0.0023733500000000 ] - [ 0.0012870900000000, -0.0005299600000000, 0.0002473000000000 ] - [ 0.0012870900000000, 0.0005299600000000, 0.0002473000000000 ] - [ -0.0012543900000000, 0.0002489700000000, 0.0000229200000000 ] - [ -0.0012543900000000, -0.0002489700000000, 0.0000229200000000 ] - [ -0.0012824900000000, 0.0000000000000000, 0.0003314000000000 ]- atom: 82 displacement: [ 0.0020604768976038, 0.0000000000000000, -0.0097854195083523 ] forces: - [ -0.0028161300000000, -0.0017882400000000, -0.0001885000000000 ] - [ -0.0028161300000000, 0.0017882400000000, -0.0001885000000000 ] - [ -0.0005631400000000, 0.0000000000000000, -0.0001741200000000 ] - [ 0.0013625900000000, 0.0000000000000000, -0.0024789900000000 ] - [ 0.0003087100000000, 0.0000719800000000, -0.0003085800000000 ] - [ 0.0003087100000000, -0.0000719800000000, -0.0003085800000000 ] - [ 0.0000763500000000, -0.0007725900000000, 0.0007426900000000 ] - [ 0.0000763500000000, 0.0007725900000000, 0.0007426900000000 ] - [ 0.0004256800000000, 0.0000000000000000, 0.0001356200000000 ] - [ -0.0076276100000000, 0.0000000000000000, 0.0079943300000000 ] - [ -0.0003685600000000, 0.0008341900000000, 0.0009514800000000 ] - [ -0.0003685600000000, -0.0008341900000000, 0.0009514800000000 ] - [ -0.0025385900000000, -0.0003757400000000, -0.0009301600000000 ] - [ -0.0025385900000000, 0.0003757400000000, -0.0009301600000000 ] - [ -0.0023662600000000, 0.0000000000000000, -0.0003991500000000 ] - [ 0.0508682600000000, 0.0000000000000000, -0.0250715600000000 ] - [ 0.0020994000000000, 0.0029581700000000, -0.0005060400000000 ] - [ 0.0020994000000000, -0.0029581700000000, -0.0005060400000000 ] - [ 0.0008272300000000, 0.0000000000000000, -0.0089647600000000 ] - [ -0.0001279100000000, -0.0002885100000000, -0.0010157800000000 ] - [ -0.0001279100000000, 0.0002885100000000, -0.0010157800000000 ] - [ -0.0028142000000000, 0.0009901700000000, 0.0004845800000000 ] - [ -0.0028142000000000, -0.0009901700000000, 0.0004845800000000 ] - [ -0.0011902600000000, 0.0000000000000000, -0.0001433000000000 ] - [ 0.0013172200000000, 0.0000000000000000, 0.0087725500000000 ] - [ 0.0011650700000000, 0.0002029800000000, 0.0006072400000000 ] - [ 0.0011650700000000, -0.0002029800000000, 0.0006072400000000 ] - [ -0.0009072400000000, -0.0002632200000000, -0.0000210400000000 ] - [ -0.0009072400000000, 0.0002632200000000, -0.0000210400000000 ] - [ -0.0011211300000000, 0.0000000000000000, -0.0002124000000000 ] - [ -0.0280540900000000, 0.0000000000000000, 0.0041557800000000 ] - [ -0.0012558900000000, -0.0029807000000000, 0.0001004100000000 ] - [ -0.0012558900000000, 0.0029807000000000, 0.0001004100000000 ] - [ -0.0019207600000000, 0.0003416400000000, -0.0001941800000000 ] - [ -0.0019207600000000, -0.0003416400000000, -0.0001941800000000 ] - [ -0.0015292800000000, 0.0000000000000000, 0.0002648900000000 ] - [ 0.0128523700000000, 0.0000000000000000, 0.0055691500000000 ] - [ 0.0014098400000000, -0.0002658300000000, 0.0012434600000000 ] - [ 0.0014098400000000, 0.0002658300000000, 0.0012434600000000 ] - [ -0.0006496300000000, -0.0000024100000000, -0.0002839200000000 ] - [ -0.0006496300000000, 0.0000024100000000, -0.0002839200000000 ] - [ -0.0005110700000000, 0.0000000000000000, -0.0001952600000000 ] - [ -0.0001888300000000, -0.0000012900000000, 0.0002562900000000 ] - [ -0.0001888300000000, 0.0000012900000000, 0.0002562900000000 ] - [ -0.0001290300000000, 0.0000000000000000, 0.0001710300000000 ] - [ -0.0008750500000000, -0.0000081700000000, -0.0007181900000000 ] - [ -0.0008750500000000, 0.0000081700000000, -0.0007181900000000 ] - [ -0.0006584800000000, 0.0000000000000000, -0.0005623600000000 ] - [ -0.0003714900000000, 0.0000011100000000, -0.0001965100000000 ] - [ -0.0003714900000000, -0.0000011100000000, -0.0001965100000000 ] - [ -0.0002180800000000, 0.0000000000000000, -0.0000901900000000 ] - [ 0.0028489800000000, 0.0000000000000000, 0.0042086500000000 ] - [ 0.0007623500000000, 0.0000461100000000, 0.0008006800000000 ] - [ 0.0007623500000000, -0.0000461100000000, 0.0008006800000000 ] - [ -0.0094844200000000, 0.0000000000000000, 0.0464098900000000 ] - [ 0.0004979100000000, -0.0005118500000000, -0.0013786700000000 ] - [ 0.0004979100000000, 0.0005118500000000, -0.0013786700000000 ] - [ -0.0879381200000000, 0.0000000000000000, -0.1047178800000000 ] - [ 0.0005339500000000, -0.0000593900000000, 0.0000981400000000 ] - [ 0.0005339500000000, 0.0000593900000000, 0.0000981400000000 ] - [ 0.0004787600000000, 0.0001506500000000, 0.0015494400000000 ] - [ 0.0004787600000000, -0.0001506500000000, 0.0015494400000000 ] - [ 0.0000506300000000, 0.0000000000000000, 0.0006359800000000 ] - [ -0.0035350100000000, 0.0000000000000000, 0.0077455100000000 ] - [ -0.0002212000000000, -0.0001456300000000, 0.0001352300000000 ] - [ -0.0002212000000000, 0.0001456300000000, 0.0001352300000000 ] - [ 0.0012459600000000, 0.0001225600000000, -0.0003436400000000 ] - [ 0.0012459600000000, -0.0001225600000000, -0.0003436400000000 ] - [ 0.0006284800000000, 0.0000000000000000, 0.0000850100000000 ] - [ -0.0062445100000000, 0.0000000000000000, -0.0071618400000000 ] - [ -0.0006498100000000, 0.0000835000000000, -0.0010233400000000 ] - [ -0.0006498100000000, -0.0000835000000000, -0.0010233400000000 ] - [ 0.0010491700000000, 0.0000810400000000, 0.0003337100000000 ] - [ 0.0010491700000000, -0.0000810400000000, 0.0003337100000000 ] - [ 0.0007771000000000, 0.0000000000000000, 0.0004001900000000 ] - [ 0.0108863100000000, 0.0000000000000000, -0.0159680000000000 ] - [ -0.0005726200000000, -0.0003945500000000, -0.0007808200000000 ] - [ -0.0005726200000000, 0.0003945500000000, -0.0007808200000000 ] - [ 0.0005145300000000, 0.0000121200000000, 0.0000921300000000 ] - [ 0.0005145300000000, -0.0000121200000000, 0.0000921300000000 ] - [ 0.0002762400000000, 0.0000000000000000, 0.0000888200000000 ] - [ 0.0329583500000000, 0.0000000000000000, 0.1828448400000000 ] - [ -0.0020712500000000, 0.0003274400000000, 0.0008988600000000 ] - [ -0.0020712500000000, -0.0003274400000000, 0.0008988600000000 ] - [ 0.0032836100000000, 0.0071612500000000, -0.0000308900000000 ] - [ 0.0032836100000000, -0.0071612500000000, -0.0000308900000000 ] - [ 0.0012151000000000, 0.0000000000000000, -0.0008947000000000 ] - [ 0.0008838100000000, 0.0000000000000000, 0.0006954100000000 ] - [ 0.0006426800000000, -0.0002804200000000, 0.0006864900000000 ] - [ 0.0006426800000000, 0.0002804200000000, 0.0006864900000000 ] - [ 0.0008250100000000, 0.0014709000000000, -0.0003579300000000 ] - [ 0.0008250100000000, -0.0014709000000000, -0.0003579300000000 ] - [ 0.0004933000000000, 0.0000000000000000, -0.0000732900000000 ] - [ 0.0004226500000000, 0.0000000000000000, -0.0007013700000000 ] - [ -0.0007573800000000, -0.0004117000000000, -0.0002243100000000 ] - [ -0.0007573800000000, 0.0004117000000000, -0.0002243100000000 ] - [ 0.0015942100000000, 0.0002004700000000, -0.0002637800000000 ] - [ 0.0015942100000000, -0.0002004700000000, -0.0002637800000000 ] - [ 0.0017422700000000, 0.0000000000000000, -0.0001990700000000 ] - [ 0.0009836900000000, 0.0000000000000000, -0.0013417400000000 ] - [ -0.0010270300000000, -0.0009246900000000, 0.0002717500000000 ] - [ -0.0010270300000000, 0.0009246900000000, 0.0002717500000000 ] - [ 0.0048020500000000, 0.0000000000000000, 0.0078344400000000 ] - [ 0.0000963100000000, 0.0003559000000000, 0.0011762000000000 ] - [ 0.0000963100000000, -0.0003559000000000, 0.0011762000000000 ] - [ 0.0006928900000000, -0.0001306900000000, 0.0004309000000000 ] - [ 0.0006928900000000, 0.0001306900000000, 0.0004309000000000 ] - [ 0.0003614400000000, 0.0000000000000000, -0.0000263500000000 ] - [ -0.0247947500000000, 0.0000000000000000, -0.0140508100000000 ] - [ -0.0004692200000000, -0.0000174900000000, -0.0000663400000000 ] - [ -0.0004692200000000, 0.0000174900000000, -0.0000663400000000 ] - [ 0.0012264200000000, -0.0000468300000000, -0.0005679900000000 ] - [ 0.0012264200000000, 0.0000468300000000, -0.0005679900000000 ] - [ 0.0007910600000000, 0.0000000000000000, -0.0001006200000000 ] - [ 0.0014703300000000, 0.0000000000000000, -0.0062105600000000 ] - [ -0.0003873200000000, 0.0001282300000000, -0.0006923500000000 ] - [ -0.0003873200000000, -0.0001282300000000, -0.0006923500000000 ] - [ 0.0005198000000000, -0.0000164300000000, 0.0002353700000000 ] - [ 0.0005198000000000, 0.0000164300000000, 0.0002353700000000 ] - [ 0.0004305300000000, 0.0000000000000000, 0.0000950300000000 ] - [ 0.0353226300000000, 0.0000000000000000, -0.0860177100000000 ] - [ -0.0017028700000000, 0.0007234100000000, 0.0002641800000000 ] - [ -0.0017028700000000, -0.0007234100000000, 0.0002641800000000 ] - [ 0.0014256500000000, -0.0000032400000000, -0.0000511200000000 ] - [ 0.0014256500000000, 0.0000032400000000, -0.0000511200000000 ] - [ 0.0010970000000000, 0.0000000000000000, -0.0000905100000000 ] - [ 0.0015817700000000, 0.0000000000000000, -0.0007954200000000 ] - [ 0.0012786300000000, 0.0001420000000000, -0.0008418100000000 ] - [ 0.0012786300000000, -0.0001420000000000, -0.0008418100000000 ] - [ 0.0028485600000000, -0.0045846200000000, 0.0000401400000000 ] - [ 0.0028485600000000, 0.0045846200000000, 0.0000401400000000 ] - [ 0.0010864300000000, 0.0000000000000000, 0.0004251100000000 ] - [ -0.0006323100000000, 0.0000000000000000, -0.0001485000000000 ] - [ 0.0003830300000000, 0.0000187700000000, 0.0001330800000000 ] - [ 0.0003830300000000, -0.0000187700000000, 0.0001330800000000 ] - [ -0.0008205400000000, 0.0004934800000000, -0.0006778600000000 ] - [ -0.0008205400000000, -0.0004934800000000, -0.0006778600000000 ] - [ -0.0007081800000000, 0.0000000000000000, -0.0002185200000000 ] - [ 0.0041581100000000, 0.0000000000000000, -0.0027259100000000 ] - [ 0.0019842600000000, 0.0005320600000000, -0.0005746800000000 ] - [ 0.0019842600000000, -0.0005320600000000, -0.0005746800000000 ] - [ -0.0008366400000000, -0.0002421900000000, 0.0009746000000000 ] - [ -0.0008366400000000, 0.0002421900000000, 0.0009746000000000 ] - [ -0.0008016600000000, 0.0000000000000000, 0.0006654300000000 ]- atom: 85 displacement: [ 0.0099999983408567, 0.0000000000000000, 0.0000057604567923 ] forces: - [ 0.0370577500000000, 0.0000000000000000, 0.0026351300000000 ] - [ 0.0052442400000000, 0.0088234700000000, -0.0014354400000000 ] - [ 0.0052442400000000, -0.0088234700000000, -0.0014354400000000 ] - [ 0.0053636700000000, 0.0017034000000000, 0.0055776600000000 ] - [ 0.0020907500000000, 0.0000000000000000, 0.0020229000000000 ] - [ 0.0053636700000000, -0.0017034000000000, 0.0055776600000000 ] - [ 0.0040728800000000, 0.0000000000000000, 0.0139620400000000 ] - [ 0.0017363400000000, 0.0020818000000000, 0.0007041800000000 ] - [ 0.0017363400000000, -0.0020818000000000, 0.0007041800000000 ] - [ 0.0099252300000000, 0.0032496200000000, 0.0015522100000000 ] - [ 0.0019298500000000, 0.0000000000000000, -0.0005590000000000 ] - [ 0.0099252300000000, -0.0032496200000000, 0.0015522100000000 ] - [ -0.0025243100000000, 0.0000000000000000, -0.0144918000000000 ] - [ -0.0012946500000000, 0.0025941000000000, -0.0003005600000000 ] - [ -0.0012946500000000, -0.0025941000000000, -0.0003005600000000 ] - [ 0.0288381000000000, -0.0082796500000000, -0.0010816500000000 ] - [ -0.0008347900000000, 0.0000000000000000, 0.0010668500000000 ] - [ 0.0288381000000000, 0.0082796500000000, -0.0010816500000000 ] - [ -0.0023877400000000, 0.0000964500000000, -0.0002101000000000 ] - [ -0.0010084700000000, 0.0000000000000000, -0.0001581700000000 ] - [ -0.0023877400000000, -0.0000964500000000, -0.0002101000000000 ] - [ -0.0023021700000000, 0.0000000000000000, -0.0009103600000000 ] - [ -0.0012914400000000, -0.0000293100000000, -0.0005415600000000 ] - [ -0.0012914400000000, 0.0000293100000000, -0.0005415600000000 ] - [ -0.0005126600000000, -0.0001438700000000, -0.0010320400000000 ] - [ 0.0004106000000000, 0.0000000000000000, -0.0002023200000000 ] - [ -0.0005126600000000, 0.0001438700000000, -0.0010320400000000 ] - [ -0.0027496600000000, 0.0000000000000000, -0.0003905800000000 ] - [ -0.0016505800000000, 0.0000599400000000, -0.0002600300000000 ] - [ -0.0016505800000000, -0.0000599400000000, -0.0002600300000000 ] - [ -0.0034083900000000, -0.0001822700000000, -0.0000897200000000 ] - [ -0.0020584300000000, 0.0000000000000000, -0.0001986600000000 ] - [ -0.0034083900000000, 0.0001822700000000, -0.0000897200000000 ] - [ -0.0048318700000000, 0.0000000000000000, 0.0005142300000000 ] - [ -0.0017918600000000, 0.0003494500000000, 0.0004134100000000 ] - [ -0.0017918600000000, -0.0003494500000000, 0.0004134100000000 ] - [ 0.0011456000000000, -0.0000943800000000, 0.0010092000000000 ] - [ 0.0007112200000000, 0.0000000000000000, 0.0006515800000000 ] - [ 0.0011456000000000, 0.0000943800000000, 0.0010092000000000 ] - [ -0.0017987200000000, 0.0000000000000000, -0.0006735600000000 ] - [ -0.0004744600000000, 0.0000625100000000, -0.0001354900000000 ] - [ -0.0004744600000000, -0.0000625100000000, -0.0001354900000000 ] - [ -0.0007900300000000, 0.0000000000000000, 0.0008417800000000 ] - [ -0.0001081100000000, 0.0000970000000000, 0.0000837900000000 ] - [ -0.0001081100000000, -0.0000970000000000, 0.0000837900000000 ] - [ -0.0033737500000000, 0.0000000000000000, -0.0025804100000000 ] - [ -0.0005219000000000, 0.0001561700000000, -0.0004518800000000 ] - [ -0.0005219000000000, -0.0001561700000000, -0.0004518800000000 ] - [ -0.0015932100000000, 0.0000000000000000, -0.0010664600000000 ] - [ -0.0002512900000000, 0.0000506200000000, -0.0001105500000000 ] - [ -0.0002512900000000, -0.0000506200000000, -0.0001105500000000 ] - [ -0.0004488700000000, -0.0001083800000000, -0.0002989400000000 ] - [ 0.0000096500000000, 0.0000000000000000, 0.0001333500000000 ] - [ -0.0004488700000000, 0.0001083800000000, -0.0002989400000000 ] - [ -0.0010865400000000, -0.0003142500000000, 0.0031694700000000 ] - [ -0.0001184700000000, 0.0000000000000000, 0.0003831400000000 ] - [ -0.0010865400000000, 0.0003142500000000, 0.0031694700000000 ] - [ -0.0027285500000000, -0.0005316300000000, -0.0021206700000000 ] - [ -0.0005826200000000, 0.0000000000000000, -0.0006063700000000 ] - [ -0.0027285500000000, 0.0005316300000000, -0.0021206700000000 ] - [ 0.0111928600000000, 0.0000000000000000, 0.0246465700000000 ] - [ -0.0006239600000000, -0.0005604800000000, -0.0000164200000000 ] - [ -0.0006239600000000, 0.0005604800000000, -0.0000164200000000 ] - [ -0.0068481100000000, 0.0013333800000000, -0.0100731100000000 ] - [ -0.0011320600000000, 0.0000000000000000, -0.0035969400000000 ] - [ -0.0068481100000000, -0.0013333800000000, -0.0100731100000000 ] - [ 0.0193402100000000, 0.0000000000000000, -0.0209523200000000 ] - [ -0.0000820200000000, -0.0008748800000000, -0.0001145800000000 ] - [ -0.0000820200000000, 0.0008748800000000, -0.0001145800000000 ] - [ -0.0009283000000000, -0.0003001700000000, -0.0011707300000000 ] - [ -0.0004044000000000, 0.0000000000000000, -0.0004127700000000 ] - [ -0.0009283000000000, 0.0003001700000000, -0.0011707300000000 ] - [ 0.0019236500000000, 0.0000000000000000, 0.0003981100000000 ] - [ 0.0003283300000000, -0.0003252200000000, 0.0005512300000000 ] - [ 0.0003283300000000, 0.0003252200000000, 0.0005512300000000 ] - [ -0.0069441200000000, 0.0050939800000000, 0.0095141100000000 ] - [ -0.0015564700000000, 0.0000000000000000, 0.0013347200000000 ] - [ -0.0069441200000000, -0.0050939800000000, 0.0095141100000000 ] - [ 0.0026641800000000, 0.0000000000000000, 0.0006166100000000 ] - [ 0.0000237300000000, -0.0001836300000000, 0.0001521800000000 ] - [ 0.0000237300000000, 0.0001836300000000, 0.0001521800000000 ] - [ 0.0046683900000000, 0.0069562000000000, -0.0014351500000000 ] - [ 0.0006435300000000, 0.0000000000000000, -0.0001705600000000 ] - [ 0.0046683900000000, -0.0069562000000000, -0.0014351500000000 ] - [ -0.1169788200000000, 0.0000000000000000, 0.0137858300000000 ] - [ -0.0069378800000000, 0.0109511300000000, 0.0002349100000000 ] - [ -0.0069378800000000, -0.0109511300000000, 0.0002349100000000 ] - [ -0.0011949200000000, -0.0043300500000000, 0.0016234400000000 ] - [ -0.0005847400000000, 0.0000000000000000, 0.0008479800000000 ] - [ -0.0011949200000000, 0.0043300500000000, 0.0016234400000000 ] - [ -0.0018348400000000, 0.0000000000000000, -0.0083332900000000 ] - [ -0.0011834100000000, -0.0007633300000000, -0.0005126000000000 ] - [ -0.0011834100000000, 0.0007633300000000, -0.0005126000000000 ] - [ -0.0025689800000000, -0.0035840100000000, -0.0016098100000000 ] - [ -0.0017663300000000, 0.0000000000000000, -0.0005458400000000 ] - [ -0.0025689800000000, 0.0035840100000000, -0.0016098100000000 ] - [ -0.0016446100000000, 0.0000000000000000, -0.0015930700000000 ] - [ 0.0006127900000000, -0.0001984500000000, -0.0006611600000000 ] - [ 0.0006127900000000, 0.0001984500000000, -0.0006611600000000 ] - [ 0.0025559600000000, -0.0267845200000000, -0.0064839700000000 ] - [ -0.0039003100000000, 0.0000000000000000, 0.0002364900000000 ] - [ 0.0025559600000000, 0.0267845200000000, -0.0064839700000000 ] - [ 0.0004663200000000, 0.0000377900000000, 0.0006891600000000 ] - [ 0.0000782000000000, 0.0000000000000000, 0.0005191100000000 ] - [ 0.0004663200000000, -0.0000377900000000, 0.0006891600000000 ] - [ 0.0009763300000000, 0.0000000000000000, 0.0007843100000000 ] - [ 0.0004388500000000, -0.0000348500000000, 0.0001207200000000 ] - [ 0.0004388500000000, 0.0000348500000000, 0.0001207200000000 ] - [ 0.0022229400000000, 0.0001335500000000, 0.0011751000000000 ] - [ 0.0007055600000000, 0.0000000000000000, 0.0002246200000000 ] - [ 0.0022229400000000, -0.0001335500000000, 0.0011751000000000 ] - [ 0.0018692600000000, 0.0000000000000000, 0.0006268500000000 ] - [ 0.0008466000000000, -0.0000339300000000, 0.0000818500000000 ] - [ 0.0008466000000000, 0.0000339300000000, 0.0000818500000000 ] - [ 0.0008672800000000, 0.0000828100000000, 0.0004951200000000 ] - [ 0.0003231700000000, 0.0000000000000000, 0.0002255900000000 ] - [ 0.0008672800000000, -0.0000828100000000, 0.0004951200000000 ] - [ 0.0018652700000000, 0.0000000000000000, 0.0000500600000000 ] - [ 0.0006339900000000, -0.0000784200000000, -0.0000920700000000 ] - [ 0.0006339900000000, 0.0000784200000000, -0.0000920700000000 ] - [ 0.0005228300000000, 0.0001695900000000, -0.0021051900000000 ] - [ -0.0004649200000000, 0.0000000000000000, -0.0003874900000000 ] - [ 0.0005228300000000, -0.0001695900000000, -0.0021051900000000 ] - [ 0.0048377900000000, 0.0000000000000000, 0.0003356200000000 ] - [ 0.0011185200000000, -0.0001761500000000, -0.0001389800000000 ] - [ 0.0011185200000000, 0.0001761500000000, -0.0001389800000000 ] - [ 0.0020652700000000, -0.0006378200000000, -0.0009567100000000 ] - [ 0.0015766400000000, 0.0000000000000000, -0.0009412100000000 ] - [ 0.0020652700000000, 0.0006378200000000, -0.0009567100000000 ] - [ 0.0014540100000000, 0.0000000000000000, 0.0005627900000000 ] - [ 0.0010968900000000, 0.0003332200000000, 0.0005816700000000 ] - [ 0.0010968900000000, -0.0003332200000000, 0.0005816700000000 ] - [ 0.0011466900000000, -0.0002518600000000, 0.0002289400000000 ] - [ 0.0007500900000000, 0.0000000000000000, 0.0001227400000000 ] - [ 0.0011466900000000, 0.0002518600000000, 0.0002289400000000 ] - [ 0.0001185800000000, 0.0000000000000000, 0.0002617500000000 ] - [ -0.0002954100000000, 0.0002464500000000, 0.0000982300000000 ] - [ -0.0002954100000000, -0.0002464500000000, 0.0000982300000000 ] - [ 0.0022907800000000, -0.0001194500000000, 0.0000063700000000 ] - [ 0.0019799500000000, 0.0000000000000000, -0.0000835200000000 ] - [ 0.0022907800000000, 0.0001194500000000, 0.0000063700000000 ] - [ 0.0000495200000000, 0.0000000000000000, 0.0006571000000000 ] - [ -0.0004939400000000, 0.0000749000000000, 0.0005795700000000 ] - [ -0.0004939400000000, -0.0000749000000000, 0.0005795700000000 ]- atom: 85 displacement: [ -0.0099999983408567, 0.0000000000000000, -0.0000057604567923 ] forces: - [ -0.0409449000000000, 0.0000000000000000, -0.0017848600000000 ] - [ -0.0049203000000000, -0.0088860600000000, 0.0016353500000000 ] - [ -0.0049203000000000, 0.0088860600000000, 0.0016353500000000 ] - [ -0.0057880000000000, -0.0017176800000000, -0.0059831000000000 ] - [ -0.0024310600000000, 0.0000000000000000, -0.0022968500000000 ] - [ -0.0057880000000000, 0.0017176800000000, -0.0059831000000000 ] - [ -0.0020970800000000, 0.0000000000000000, -0.0141060500000000 ] - [ 0.0003209000000000, -0.0021036000000000, -0.0006297700000000 ] - [ 0.0003209000000000, 0.0021036000000000, -0.0006297700000000 ] - [ -0.0113342000000000, -0.0032574700000000, -0.0019945700000000 ] - [ -0.0032346100000000, 0.0000000000000000, 0.0001047700000000 ] - [ -0.0113342000000000, 0.0032574700000000, -0.0019945700000000 ] - [ -0.0003326400000000, 0.0000000000000000, 0.0144922200000000 ] - [ -0.0015618800000000, -0.0026289900000000, 0.0000428100000000 ] - [ -0.0015618800000000, 0.0026289900000000, 0.0000428100000000 ] - [ -0.0297348000000000, 0.0086852700000000, 0.0022232600000000 ] - [ 0.0001398500000000, 0.0000000000000000, 0.0000872900000000 ] - [ -0.0297348000000000, -0.0086852700000000, 0.0022232600000000 ] - [ 0.0027742800000000, -0.0001003200000000, 0.0004025200000000 ] - [ 0.0013879900000000, 0.0000000000000000, 0.0003523800000000 ] - [ 0.0027742800000000, 0.0001003200000000, 0.0004025200000000 ] - [ 0.0020099200000000, 0.0000000000000000, 0.0006687900000000 ] - [ 0.0009842500000000, 0.0000270300000000, 0.0002956100000000 ] - [ 0.0009842500000000, -0.0000270300000000, 0.0002956100000000 ] - [ 0.0026068100000000, 0.0001413200000000, 0.0011130900000000 ] - [ 0.0016728700000000, 0.0000000000000000, 0.0002826600000000 ] - [ 0.0026068100000000, -0.0001413200000000, 0.0011130900000000 ] - [ 0.0014919400000000, 0.0000000000000000, -0.0000636100000000 ] - [ 0.0003802700000000, -0.0000633000000000, -0.0001941500000000 ] - [ 0.0003802700000000, 0.0000633000000000, -0.0001941500000000 ] - [ 0.0005896600000000, 0.0001813000000000, -0.0001590800000000 ] - [ -0.0007699400000000, 0.0000000000000000, -0.0000566800000000 ] - [ 0.0005896600000000, -0.0001813000000000, -0.0001590800000000 ] - [ 0.0041788400000000, 0.0000000000000000, 0.0006363800000000 ] - [ 0.0010900500000000, -0.0003574300000000, 0.0007412000000000 ] - [ 0.0010900500000000, 0.0003574300000000, 0.0007412000000000 ] - [ -0.0004951100000000, 0.0000948900000000, -0.0003508200000000 ] - [ -0.0000642900000000, 0.0000000000000000, 0.0000053200000000 ] - [ -0.0004951100000000, -0.0000948900000000, -0.0003508200000000 ] - [ 0.0018393700000000, 0.0000000000000000, 0.0010169300000000 ] - [ 0.0004972900000000, -0.0000635300000000, 0.0004717900000000 ] - [ 0.0004972900000000, 0.0000635300000000, 0.0004717900000000 ] - [ 0.0009258600000000, 0.0000000000000000, -0.0013074100000000 ] - [ 0.0002315900000000, -0.0000985400000000, -0.0005340200000000 ] - [ 0.0002315900000000, 0.0000985400000000, -0.0005340200000000 ] - [ 0.0031973300000000, 0.0000000000000000, 0.0022604100000000 ] - [ 0.0002975100000000, -0.0001585400000000, 0.0000970400000000 ] - [ 0.0002975100000000, 0.0001585400000000, 0.0000970400000000 ] - [ 0.0022654000000000, 0.0000000000000000, 0.0017415900000000 ] - [ 0.0009002400000000, -0.0000514800000000, 0.0007689700000000 ] - [ 0.0009002400000000, 0.0000514800000000, 0.0007689700000000 ] - [ 0.0004910100000000, 0.0001046700000000, 0.0006495400000000 ] - [ 0.0000140400000000, 0.0000000000000000, 0.0002040000000000 ] - [ 0.0004910100000000, -0.0001046700000000, 0.0006495400000000 ] - [ 0.0012153900000000, 0.0003156900000000, -0.0036283500000000 ] - [ 0.0002439900000000, 0.0000000000000000, -0.0008388100000000 ] - [ 0.0012153900000000, -0.0003156900000000, -0.0036283500000000 ] - [ 0.0025186900000000, 0.0005289400000000, 0.0017741600000000 ] - [ 0.0003663400000000, 0.0000000000000000, 0.0002574100000000 ] - [ 0.0025186900000000, -0.0005289400000000, 0.0017741600000000 ] - [ -0.0119313400000000, 0.0000000000000000, -0.0250192700000000 ] - [ 0.0001218800000000, 0.0005651000000000, 0.0002045300000000 ] - [ 0.0001218800000000, -0.0005651000000000, 0.0002045300000000 ] - [ 0.0069003400000000, -0.0014709200000000, 0.0092444300000000 ] - [ 0.0011460900000000, 0.0000000000000000, 0.0025139300000000 ] - [ 0.0069003400000000, 0.0014709200000000, 0.0092444300000000 ] - [ -0.0195956400000000, 0.0000000000000000, 0.0213167600000000 ] - [ 0.0002299000000000, 0.0008804100000000, 0.0000937400000000 ] - [ 0.0002299000000000, -0.0008804100000000, 0.0000937400000000 ] - [ 0.0012894200000000, 0.0003060600000000, 0.0010079200000000 ] - [ 0.0007644900000000, 0.0000000000000000, 0.0002405500000000 ] - [ 0.0012894200000000, -0.0003060600000000, 0.0010079200000000 ] - [ -0.0017180000000000, 0.0000000000000000, 0.0000418700000000 ] - [ -0.0001056400000000, 0.0003296600000000, -0.0001037500000000 ] - [ -0.0001056400000000, -0.0003296600000000, -0.0001037500000000 ] - [ 0.0066813100000000, -0.0051591100000000, -0.0098628900000000 ] - [ 0.0012847500000000, 0.0000000000000000, -0.0015863900000000 ] - [ 0.0066813100000000, 0.0051591100000000, -0.0098628900000000 ] - [ -0.0039385600000000, 0.0000000000000000, -0.0003367000000000 ] - [ -0.0012495900000000, 0.0001864100000000, 0.0001342500000000 ] - [ -0.0012495900000000, -0.0001864100000000, 0.0001342500000000 ] - [ -0.0044547100000000, -0.0068559400000000, 0.0013611900000000 ] - [ -0.0004883300000000, 0.0000000000000000, 0.0001133900000000 ] - [ -0.0044547100000000, 0.0068559400000000, 0.0013611900000000 ] - [ 0.1238643900000000, 0.0000000000000000, -0.0165698300000000 ] - [ 0.0089438000000000, -0.0110043200000000, -0.0020943600000000 ] - [ 0.0089438000000000, 0.0110043200000000, -0.0020943600000000 ] - [ 0.0023350400000000, 0.0043982900000000, -0.0004146300000000 ] - [ 0.0016992400000000, 0.0000000000000000, 0.0003731600000000 ] - [ 0.0023350400000000, -0.0043982900000000, -0.0004146300000000 ] - [ 0.0025612600000000, 0.0000000000000000, 0.0085009800000000 ] - [ 0.0018529200000000, 0.0007640900000000, 0.0006193700000000 ] - [ 0.0018529200000000, -0.0007640900000000, 0.0006193700000000 ] - [ 0.0010318800000000, 0.0036310000000000, 0.0015184600000000 ] - [ 0.0002079400000000, 0.0000000000000000, 0.0004318400000000 ] - [ 0.0010318800000000, -0.0036310000000000, 0.0015184600000000 ] - [ 0.0049847100000000, 0.0000000000000000, 0.0013083900000000 ] - [ 0.0026791100000000, 0.0001879300000000, 0.0003491500000000 ] - [ 0.0026791100000000, -0.0001879300000000, 0.0003491500000000 ] - [ -0.0046046300000000, 0.0271546400000000, 0.0075939700000000 ] - [ 0.0018413000000000, 0.0000000000000000, 0.0007663300000000 ] - [ -0.0046046300000000, -0.0271546400000000, 0.0075939700000000 ] - [ -0.0009831000000000, -0.0000369700000000, -0.0005212500000000 ] - [ -0.0005945900000000, 0.0000000000000000, -0.0003495400000000 ] - [ -0.0009831000000000, 0.0000369700000000, -0.0005212500000000 ] - [ -0.0009838500000000, 0.0000000000000000, -0.0019043400000000 ] - [ -0.0004352100000000, 0.0000358100000000, -0.0012222900000000 ] - [ -0.0004352100000000, -0.0000358100000000, -0.0012222900000000 ] - [ -0.0020989200000000, -0.0001331000000000, -0.0012012200000000 ] - [ -0.0005775800000000, 0.0000000000000000, -0.0002447200000000 ] - [ -0.0020989200000000, 0.0001331000000000, -0.0012012200000000 ] - [ -0.0015327000000000, 0.0000000000000000, -0.0008105000000000 ] - [ -0.0004892900000000, 0.0000350700000000, -0.0002615500000000 ] - [ -0.0004892900000000, -0.0000350700000000, -0.0002615500000000 ] - [ -0.0006721100000000, -0.0000816000000000, -0.0000523900000000 ] - [ -0.0001096400000000, 0.0000000000000000, 0.0002235500000000 ] - [ -0.0006721100000000, 0.0000816000000000, -0.0000523900000000 ] - [ -0.0021692600000000, 0.0000000000000000, -0.0002897600000000 ] - [ -0.0009224100000000, 0.0000802700000000, -0.0001459200000000 ] - [ -0.0009224100000000, -0.0000802700000000, -0.0001459200000000 ] - [ -0.0017636700000000, -0.0001701400000000, 0.0023984300000000 ] - [ -0.0007687000000000, 0.0000000000000000, 0.0006769900000000 ] - [ -0.0017636700000000, 0.0001701400000000, 0.0023984300000000 ] - [ -0.0047368500000000, 0.0000000000000000, -0.0004004900000000 ] - [ -0.0009563700000000, 0.0001790300000000, 0.0000820500000000 ] - [ -0.0009563700000000, -0.0001790300000000, 0.0000820500000000 ] - [ -0.0001624400000000, 0.0006504700000000, -0.0008930700000000 ] - [ 0.0003329900000000, 0.0000000000000000, -0.0009087600000000 ] - [ -0.0001624400000000, -0.0006504700000000, -0.0008930700000000 ] - [ -0.0003703900000000, 0.0000000000000000, 0.0006623800000000 ] - [ -0.0000069000000000, -0.0003343900000000, 0.0006426000000000 ] - [ -0.0000069000000000, 0.0003343900000000, 0.0006426000000000 ] - [ -0.0005057000000000, 0.0002587300000000, -0.0001353300000000 ] - [ -0.0001042800000000, 0.0000000000000000, -0.0000257900000000 ] - [ -0.0005057000000000, -0.0002587300000000, -0.0001353300000000 ] - [ -0.0016985200000000, 0.0000000000000000, -0.0003830600000000 ] - [ -0.0012789400000000, -0.0002455800000000, -0.0002163900000000 ] - [ -0.0012789400000000, 0.0002455800000000, -0.0002163900000000 ] - [ 0.0009703200000000, 0.0001216700000000, -0.0003295800000000 ] - [ 0.0012849700000000, 0.0000000000000000, -0.0002393600000000 ] - [ 0.0009703200000000, -0.0001216700000000, -0.0003295800000000 ] - [ -0.0021449900000000, 0.0000000000000000, 0.0003364000000000 ] - [ -0.0015940100000000, -0.0000750000000000, 0.0004161000000000 ] - [ -0.0015940100000000, 0.0000750000000000, 0.0004161000000000 ]- atom: 85 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0002664500000000, 0.0268998600000000, 0.0001792100000000 ] - [ 0.0093026800000000, -0.0124763700000000, -0.0001310300000000 ] - [ -0.0088517400000000, -0.0125651700000000, 0.0003109300000000 ] - [ 0.0094745400000000, 0.0034583300000000, 0.0171239200000000 ] - [ -0.0001352200000000, -0.0064476700000000, -0.0000989500000000 ] - [ -0.0097062300000000, 0.0033930100000000, -0.0172807700000000 ] - [ 0.0010394800000000, 0.0067579800000000, 0.0001667700000000 ] - [ 0.0023239000000000, -0.0033081600000000, -0.0019077200000000 ] - [ -0.0002472400000000, -0.0033611400000000, 0.0019832200000000 ] - [ 0.0114936000000000, 0.0043018700000000, -0.0078545200000000 ] - [ -0.0006105800000000, -0.0076592700000000, -0.0002323400000000 ] - [ -0.0126586700000000, 0.0041392100000000, 0.0074639300000000 ] - [ -0.0014371600000000, 0.0068830200000000, -0.0002788600000000 ] - [ 0.0005851800000000, -0.0034387300000000, 0.0026324800000000 ] - [ -0.0034231900000000, -0.0035019800000000, -0.0028747300000000 ] - [ 0.0170247800000000, 0.0370870800000000, 0.0023219900000000 ] - [ -0.0003501400000000, -0.0278776500000000, 0.0005831600000000 ] - [ -0.0162047400000000, 0.0321901800000000, -0.0012508000000000 ] - [ -0.0028057300000000, 0.0007370900000000, -0.0001334300000000 ] - [ 0.0001712200000000, -0.0014678800000000, 0.0000927100000000 ] - [ 0.0031237400000000, 0.0007314700000000, 0.0003134000000000 ] - [ -0.0001794400000000, 0.0016196700000000, -0.0001313600000000 ] - [ -0.0003046200000000, -0.0008094800000000, -0.0001683600000000 ] - [ -0.0000330800000000, -0.0008101200000000, -0.0000870600000000 ] - [ -0.0019052700000000, 0.0009666000000000, -0.0016961700000000 ] - [ 0.0010287800000000, -0.0019284600000000, 0.0000360300000000 ] - [ 0.0039583000000000, 0.0009629700000000, 0.0017597200000000 ] - [ -0.0006594400000000, 0.0014882300000000, -0.0002300200000000 ] - [ -0.0005441900000000, -0.0007426900000000, -0.0001397300000000 ] - [ -0.0007496700000000, -0.0007455300000000, -0.0003143000000000 ] - [ -0.0061512700000000, 0.0012662400000000, -0.0000905400000000 ] - [ -0.0014291900000000, -0.0025214100000000, -0.0001296900000000 ] - [ 0.0032724600000000, 0.0012652300000000, -0.0001592800000000 ] - [ -0.0003992900000000, 0.0013983300000000, 0.0005754100000000 ] - [ 0.0004126600000000, -0.0006952800000000, 0.0005151500000000 ] - [ -0.0011457000000000, -0.0007041200000000, 0.0006342200000000 ] - [ -0.0007930100000000, 0.0002168700000000, -0.0004686800000000 ] - [ 0.0003260600000000, -0.0004167200000000, 0.0003311300000000 ] - [ 0.0014565400000000, 0.0002147100000000, 0.0011378600000000 ] - [ -0.0000087200000000, 0.0000661900000000, 0.0001579900000000 ] - [ 0.0004938000000000, -0.0000226300000000, 0.0004697500000000 ] - [ -0.0004803500000000, -0.0000239300000000, -0.0001391600000000 ] - [ 0.0000519900000000, 0.0001121700000000, -0.0002125300000000 ] - [ 0.0002604700000000, -0.0000565000000000, -0.0005542600000000 ] - [ -0.0001406200000000, -0.0000587000000000, 0.0001094300000000 ] - [ -0.0001442900000000, 0.0002088900000000, -0.0002002300000000 ] - [ 0.0007485700000000, -0.0000931100000000, 0.0004280200000000 ] - [ -0.0009771800000000, -0.0000962700000000, -0.0007852600000000 ] - [ 0.0003029500000000, 0.0000905600000000, 0.0003137000000000 ] - [ 0.0007312100000000, -0.0000458500000000, 0.0006558700000000 ] - [ -0.0000949900000000, -0.0000470700000000, -0.0000066900000000 ] - [ -0.0034169600000000, 0.0004915400000000, -0.0024048800000000 ] - [ 0.0000082800000000, -0.0003764700000000, 0.0001657100000000 ] - [ 0.0034291700000000, 0.0004842300000000, 0.0027368000000000 ] - [ -0.0022885000000000, 0.0002957800000000, 0.0072108300000000 ] - [ 0.0000581800000000, -0.0005893900000000, -0.0002152400000000 ] - [ 0.0023898500000000, 0.0002941300000000, -0.0075673900000000 ] - [ -0.0057895500000000, 0.0005821100000000, -0.0054667400000000 ] - [ -0.0001195300000000, -0.0005534200000000, -0.0001841000000000 ] - [ 0.0055147200000000, 0.0005781000000000, 0.0050486800000000 ] - [ -0.0001364400000000, -0.0026072700000000, 0.0003243400000000 ] - [ -0.0024180800000000, 0.0009896200000000, -0.0044638000000000 ] - [ 0.0018914900000000, 0.0010007700000000, 0.0046148300000000 ] - [ -0.0070392000000000, 0.0107197300000000, -0.0351082500000000 ] - [ -0.0000122600000000, 0.0032286800000000, -0.0005936600000000 ] - [ 0.0069347400000000, 0.0107092700000000, 0.0335957200000000 ] - [ 0.0002380200000000, 0.0003093500000000, -0.0001835700000000 ] - [ -0.0027018000000000, 0.0014088500000000, 0.0022058900000000 ] - [ 0.0028241200000000, 0.0014179900000000, -0.0022120700000000 ] - [ 0.0008263600000000, -0.0008101600000000, 0.0004552800000000 ] - [ 0.0001741000000000, 0.0012364600000000, -0.0000915800000000 ] - [ -0.0004748400000000, -0.0007949900000000, -0.0006683400000000 ] - [ 0.0001319400000000, -0.0008472700000000, 0.0002267600000000 ] - [ -0.0008785600000000, 0.0004010000000000, 0.0002021700000000 ] - [ 0.0011003800000000, 0.0004088700000000, 0.0002524900000000 ] - [ -0.0040879300000000, 0.0064579500000000, 0.0205177200000000 ] - [ -0.0001556000000000, 0.0026258800000000, -0.0000958100000000 ] - [ 0.0037593100000000, 0.0064783100000000, -0.0205076700000000 ] - [ -0.0005771900000000, -0.0003895500000000, 0.0001476000000000 ] - [ -0.0016171900000000, 0.0001981400000000, 0.0001294500000000 ] - [ 0.0004001900000000, 0.0002025300000000, 0.0001575100000000 ] - [ 0.0184294500000000, 0.0007030600000000, -0.0035242900000000 ] - [ 0.0000954400000000, 0.0020930200000000, -0.0000321700000000 ] - [ -0.0179503300000000, 0.0007446000000000, 0.0033935700000000 ] - [ -0.0001876400000000, -0.2108153600000000, -0.0008459800000000 ] - [ -0.0100993700000000, 0.0334864600000000, 0.0004780400000000 ] - [ 0.0118546800000000, 0.0331945900000000, -0.0023031900000000 ] - [ -0.0029909000000000, -0.0022643600000000, 0.0004580900000000 ] - [ 0.0005370200000000, 0.0049894000000000, 0.0006133100000000 ] - [ 0.0040530800000000, -0.0021606300000000, 0.0007846400000000 ] - [ 0.0003446300000000, -0.0101213600000000, -0.0000605500000000 ] - [ -0.0007270700000000, 0.0057166400000000, 0.0013304900000000 ] - [ 0.0013640400000000, 0.0057477500000000, -0.0012314700000000 ] - [ -0.0035791900000000, -0.0023480800000000, -0.0010615500000000 ] - [ -0.0007941400000000, 0.0047858800000000, -0.0000637700000000 ] - [ 0.0019847700000000, -0.0022576000000000, 0.0009181000000000 ] - [ 0.0016106500000000, -0.0102268300000000, -0.0001637800000000 ] - [ 0.0006734500000000, 0.0048882100000000, -0.0006343400000000 ] - [ 0.0025803800000000, 0.0049001600000000, 0.0003064600000000 ] - [ -0.0232824000000000, 0.0196220400000000, 0.0096090500000000 ] - [ -0.0010635400000000, 0.0118742200000000, 0.0004962600000000 ] - [ 0.0208570100000000, 0.0195865200000000, -0.0084915900000000 ] - [ 0.0008384600000000, -0.0002100400000000, 0.0006311300000000 ] - [ -0.0002522300000000, 0.0004136700000000, 0.0000935700000000 ] - [ -0.0013328900000000, -0.0002100600000000, -0.0004359100000000 ] - [ 0.0000117700000000, -0.0002924600000000, -0.0005392500000000 ] - [ -0.0000367200000000, 0.0001456100000000, -0.0005174900000000 ] - [ 0.0000510900000000, 0.0001468200000000, -0.0005684600000000 ] - [ 0.0041368400000000, -0.0002827200000000, 0.0027937900000000 ] - [ 0.0000760700000000, 0.0005189700000000, -0.0000061800000000 ] - [ -0.0039579200000000, -0.0002811700000000, -0.0027909100000000 ] - [ 0.0001959500000000, -0.0002798200000000, -0.0000798800000000 ] - [ -0.0000253000000000, 0.0001396200000000, -0.0002971300000000 ] - [ 0.0003984200000000, 0.0001405100000000, 0.0001200400000000 ] - [ 0.0035167800000000, -0.0003501300000000, 0.0017857200000000 ] - [ 0.0001136200000000, 0.0005400700000000, 0.0002258200000000 ] - [ -0.0032883400000000, -0.0003475400000000, -0.0013338300000000 ] - [ -0.0001209700000000, -0.0002671000000000, -0.0001170300000000 ] - [ -0.0004813900000000, 0.0001313100000000, -0.0002909200000000 ] - [ 0.0002107500000000, 0.0001330000000000, 0.0000530100000000 ] - [ 0.0039410100000000, -0.0003394800000000, -0.0037421200000000 ] - [ -0.0006095200000000, 0.0006877100000000, 0.0001357800000000 ] - [ -0.0051412000000000, -0.0003383100000000, 0.0039696000000000 ] - [ 0.0001303600000000, -0.0002418500000000, -0.0000267100000000 ] - [ -0.0009788100000000, 0.0001174500000000, -0.0001112200000000 ] - [ 0.0011581600000000, 0.0001215400000000, 0.0000510700000000 ] - [ 0.0016104100000000, -0.0005687700000000, -0.0009526400000000 ] - [ 0.0009632300000000, 0.0011251200000000, -0.0009251900000000 ] - [ 0.0003227400000000, -0.0005539300000000, -0.0008977700000000 ] - [ 0.0005553200000000, -0.0032315900000000, 0.0006123000000000 ] - [ 0.0008747400000000, 0.0016118100000000, 0.0006336800000000 ] - [ 0.0002311200000000, 0.0016085500000000, 0.0005903300000000 ] - [ 0.0012762800000000, -0.0004810700000000, 0.0003135500000000 ] - [ 0.0003288800000000, 0.0009571500000000, 0.0000497300000000 ] - [ -0.0006135300000000, -0.0004749100000000, -0.0002150000000000 ] - [ -0.0007776100000000, -0.0024963600000000, -0.0000568500000000 ] - [ -0.0006152000000000, 0.0012428500000000, 0.0000010200000000 ] - [ -0.0009459300000000, 0.0012409500000000, -0.0001156000000000 ] - [ 0.0026024000000000, -0.0004837000000000, 0.0001076900000000 ] - [ 0.0016381600000000, 0.0009624600000000, -0.0001606500000000 ] - [ 0.0006788300000000, -0.0004778600000000, -0.0004275900000000 ] - [ -0.0010320200000000, -0.0016153800000000, 0.0004990900000000 ] - [ -0.0009795000000000, 0.0008064600000000, 0.0004759500000000 ] - [ -0.0010951000000000, 0.0008096700000000, 0.0005219300000000 ]- atom: 85 displacement: [ -0.0020604768976038, 0.0000000000000000, 0.0097854195083523 ] forces: - [ -0.0144455900000000, 0.0000000000000000, 0.0146738800000000 ] - [ -0.0012681200000000, -0.0036459800000000, 0.0018769100000000 ] - [ -0.0012681200000000, 0.0036459800000000, 0.0018769100000000 ] - [ -0.0027675500000000, 0.0001984200000000, -0.0091943200000000 ] - [ -0.0002447800000000, 0.0000000000000000, -0.0010373800000000 ] - [ -0.0027675500000000, -0.0001984200000000, -0.0091943200000000 ] - [ 0.0034386700000000, 0.0000000000000000, -0.0054226300000000 ] - [ 0.0014364700000000, -0.0007225100000000, -0.0012778800000000 ] - [ 0.0014364700000000, 0.0007225100000000, -0.0012778800000000 ] - [ 0.0004557200000000, -0.0033158000000000, -0.0046996400000000 ] - [ -0.0015029500000000, 0.0000000000000000, -0.0008253800000000 ] - [ 0.0004557200000000, 0.0033158000000000, -0.0046996400000000 ] - [ -0.0024086600000000, 0.0000000000000000, 0.0026033800000000 ] - [ -0.0021249800000000, -0.0000252400000000, 0.0002875000000000 ] - [ -0.0021249800000000, 0.0000252400000000, 0.0002875000000000 ] - [ -0.0078655700000000, 0.0037300300000000, 0.0117722700000000 ] - [ -0.0000756800000000, 0.0000000000000000, 0.0015592900000000 ] - [ -0.0078655700000000, -0.0037300300000000, 0.0117722700000000 ] - [ 0.0008062600000000, -0.0000228000000000, 0.0002479800000000 ] - [ 0.0004668000000000, 0.0000000000000000, 0.0001925700000000 ] - [ 0.0008062600000000, 0.0000228000000000, 0.0002479800000000 ] - [ 0.0002850300000000, 0.0000000000000000, 0.0000140000000000 ] - [ 0.0000675500000000, -0.0000048800000000, -0.0000651700000000 ] - [ 0.0000675500000000, 0.0000048800000000, -0.0000651700000000 ] - [ 0.0009189300000000, -0.0000421000000000, 0.0005086500000000 ] - [ 0.0010880300000000, 0.0000000000000000, 0.0001521500000000 ] - [ 0.0009189300000000, 0.0000421000000000, 0.0005086500000000 ] - [ -0.0002089100000000, 0.0000000000000000, -0.0002270500000000 ] - [ -0.0004484300000000, -0.0000235600000000, -0.0002402400000000 ] - [ -0.0004484300000000, 0.0000235600000000, -0.0002402400000000 ] - [ -0.0006258800000000, 0.0000538500000000, -0.0005925000000000 ] - [ -0.0011756100000000, 0.0000000000000000, -0.0002366800000000 ] - [ -0.0006258800000000, -0.0000538500000000, -0.0005925000000000 ] - [ 0.0007616300000000, 0.0000000000000000, 0.0005986300000000 ] - [ -0.0000153100000000, -0.0000864800000000, 0.0006311700000000 ] - [ -0.0000153100000000, 0.0000864800000000, 0.0006311700000000 ] - [ 0.0001083600000000, 0.0000627600000000, -0.0001090300000000 ] - [ 0.0002259500000000, 0.0000000000000000, 0.0001981000000000 ] - [ 0.0001083600000000, -0.0000627600000000, -0.0001090300000000 ] - [ 0.0004378300000000, 0.0000000000000000, 0.0003646000000000 ] - [ 0.0001149400000000, -0.0000127600000000, 0.0002320400000000 ] - [ 0.0001149400000000, 0.0000127600000000, 0.0002320400000000 ] - [ 0.0001584200000000, 0.0000000000000000, -0.0002119300000000 ] - [ 0.0000695100000000, -0.0000204200000000, -0.0001736000000000 ] - [ 0.0000695100000000, 0.0000204200000000, -0.0001736000000000 ] - [ 0.0009826600000000, 0.0000000000000000, 0.0004940100000000 ] - [ 0.0000607100000000, -0.0000429700000000, -0.0000379600000000 ] - [ 0.0000607100000000, 0.0000429700000000, -0.0000379600000000 ] - [ 0.0006114100000000, 0.0000000000000000, 0.0004921200000000 ] - [ 0.0003806400000000, -0.0000075700000000, 0.0003461700000000 ] - [ 0.0003806400000000, 0.0000075700000000, 0.0003461700000000 ] - [ -0.0007121200000000, 0.0000994600000000, -0.0004052900000000 ] - [ -0.0000305500000000, 0.0000000000000000, 0.0001371800000000 ] - [ -0.0007121200000000, -0.0000994600000000, -0.0004052900000000 ] - [ 0.0006668300000000, 0.0003749900000000, -0.0013185900000000 ] - [ 0.0001470800000000, 0.0000000000000000, -0.0004093700000000 ] - [ 0.0006668300000000, -0.0003749900000000, -0.0013185900000000 ] - [ 0.0007675500000000, -0.0002451200000000, 0.0006970200000000 ] - [ 0.0000593800000000, 0.0000000000000000, -0.0000073400000000 ] - [ 0.0007675500000000, 0.0002451200000000, 0.0006970200000000 ] - [ 0.0009659900000000, 0.0000000000000000, -0.0087235800000000 ] - [ -0.0003580800000000, 0.0000643800000000, -0.0009933600000000 ] - [ -0.0003580800000000, -0.0000643800000000, -0.0009933600000000 ] - [ 0.0029950500000000, -0.0120163100000000, 0.0142637900000000 ] - [ 0.0001907900000000, 0.0000000000000000, -0.0000005900000000 ] - [ 0.0029950500000000, 0.0120163100000000, 0.0142637900000000 ] - [ -0.0043791900000000, 0.0000000000000000, 0.0051370000000000 ] - [ -0.0001383600000000, 0.0003762800000000, 0.0002683100000000 ] - [ -0.0001383600000000, -0.0003762800000000, 0.0002683100000000 ] - [ -0.0010322700000000, 0.0001319300000000, 0.0034295400000000 ] - [ -0.0000399300000000, 0.0000000000000000, 0.0007437800000000 ] - [ -0.0010322700000000, -0.0001319300000000, 0.0034295400000000 ] - [ -0.0007760800000000, 0.0000000000000000, 0.0009540500000000 ] - [ -0.0000880800000000, 0.0000653000000000, 0.0004836500000000 ] - [ -0.0000880800000000, -0.0000653000000000, 0.0004836500000000 ] - [ 0.0009372100000000, 0.0064771600000000, 0.0034145300000000 ] - [ 0.0003408500000000, 0.0000000000000000, -0.0008455500000000 ] - [ 0.0009372100000000, -0.0064771600000000, 0.0034145300000000 ] - [ -0.0008969200000000, 0.0000000000000000, 0.0000477200000000 ] - [ -0.0005543600000000, 0.0000146700000000, 0.0001075000000000 ] - [ -0.0005543600000000, -0.0000146700000000, 0.0001075000000000 ] - [ -0.0019404500000000, -0.0024461300000000, -0.0008585700000000 ] - [ -0.0001244800000000, 0.0000000000000000, -0.0000476900000000 ] - [ -0.0019404500000000, 0.0024461300000000, -0.0008585700000000 ] - [ 0.0409035500000000, 0.0000000000000000, -0.0634467700000000 ] - [ 0.0037548300000000, -0.0036646100000000, -0.0004537000000000 ] - [ 0.0037548300000000, 0.0036646100000000, -0.0004537000000000 ] - [ 0.0018683200000000, 0.0006087400000000, 0.0003751600000000 ] - [ 0.0009854800000000, 0.0000000000000000, 0.0005294400000000 ] - [ 0.0018683200000000, -0.0006087400000000, 0.0003751600000000 ] - [ -0.0052809100000000, 0.0000000000000000, 0.0098521700000000 ] - [ -0.0001458100000000, 0.0013613300000000, 0.0002749600000000 ] - [ -0.0001458100000000, -0.0013613300000000, 0.0002749600000000 ] - [ -0.0009438600000000, 0.0013782200000000, 0.0012840900000000 ] - [ -0.0006737200000000, 0.0000000000000000, 0.0004768000000000 ] - [ -0.0009438600000000, -0.0013782200000000, 0.0012840900000000 ] - [ 0.0029648600000000, 0.0000000000000000, 0.0020787000000000 ] - [ 0.0024174300000000, -0.0013031100000000, 0.0006315100000000 ] - [ 0.0024174300000000, 0.0013031100000000, 0.0006315100000000 ] - [ -0.0056811200000000, 0.0133633100000000, -0.0003259100000000 ] - [ -0.0000054800000000, 0.0000000000000000, 0.0004937700000000 ] - [ -0.0056811200000000, -0.0133633100000000, -0.0003259100000000 ] - [ -0.0004876300000000, -0.0000147800000000, -0.0000419400000000 ] - [ -0.0003560300000000, 0.0000000000000000, -0.0000156500000000 ] - [ -0.0004876300000000, 0.0000147800000000, -0.0000419400000000 ] - [ -0.0002298600000000, 0.0000000000000000, -0.0008827300000000 ] - [ -0.0000906700000000, 0.0000083600000000, -0.0007031800000000 ] - [ -0.0000906700000000, -0.0000083600000000, -0.0007031800000000 ] - [ -0.0005394500000000, 0.0000111700000000, -0.0006244100000000 ] - [ -0.0000935700000000, 0.0000000000000000, -0.0001479100000000 ] - [ -0.0005394500000000, -0.0000111700000000, -0.0006244100000000 ] - [ -0.0000907900000000, 0.0000000000000000, -0.0001435700000000 ] - [ 0.0000888800000000, 0.0000079900000000, -0.0000724200000000 ] - [ 0.0000888800000000, -0.0000079900000000, -0.0000724200000000 ] - [ 0.0006768500000000, -0.0000109700000000, 0.0006457700000000 ] - [ 0.0001399600000000, 0.0000000000000000, 0.0002855500000000 ] - [ 0.0006768500000000, 0.0000109700000000, 0.0006457700000000 ] - [ -0.0006083400000000, 0.0000000000000000, -0.0001572600000000 ] - [ -0.0003098800000000, 0.0000198700000000, -0.0001236600000000 ] - [ -0.0003098800000000, -0.0000198700000000, -0.0001236600000000 ] - [ -0.0011844300000000, -0.0001587300000000, 0.0009787700000000 ] - [ -0.0007264900000000, 0.0000000000000000, 0.0003383300000000 ] - [ -0.0011844300000000, 0.0001587300000000, 0.0009787700000000 ] - [ -0.0012221100000000, 0.0000000000000000, -0.0002987000000000 ] - [ -0.0001842100000000, 0.0000431500000000, -0.0001000800000000 ] - [ -0.0001842100000000, -0.0000431500000000, -0.0001000800000000 ] - [ 0.0006953200000000, 0.0001611000000000, -0.0009201800000000 ] - [ 0.0008128600000000, 0.0000000000000000, -0.0009242500000000 ] - [ 0.0006953200000000, -0.0001611000000000, -0.0009201800000000 ] - [ 0.0002982700000000, 0.0000000000000000, 0.0007078400000000 ] - [ 0.0004005400000000, -0.0000858400000000, 0.0006673900000000 ] - [ 0.0004005400000000, 0.0000858400000000, 0.0006673900000000 ] - [ 0.0001806900000000, 0.0000641500000000, -0.0000145300000000 ] - [ 0.0002464400000000, 0.0000000000000000, 0.0000231700000000 ] - [ 0.0001806900000000, -0.0000641500000000, -0.0000145300000000 ] - [ -0.0008801700000000, 0.0000000000000000, -0.0001101600000000 ] - [ -0.0008360100000000, -0.0000005700000000, -0.0000785100000000 ] - [ -0.0008360100000000, 0.0000005700000000, -0.0000785100000000 ] - [ 0.0014967900000000, 0.0000309300000000, -0.0001303300000000 ] - [ 0.0015525700000000, 0.0000000000000000, -0.0001531000000000 ] - [ 0.0014967900000000, -0.0000309300000000, -0.0001303300000000 ] - [ -0.0013027600000000, 0.0000000000000000, 0.0004478700000000 ] - [ -0.0011652500000000, -0.0000153700000000, 0.0004698900000000 ] - [ -0.0011652500000000, 0.0000153700000000, 0.0004698900000000 ]- atom: 85 displacement: [ 0.0020604768976038, 0.0000000000000000, -0.0097854195083523 ] forces: - [ 0.0145803000000000, 0.0000000000000000, -0.0145376600000000 ] - [ 0.0015994800000000, 0.0036485700000000, -0.0016953000000000 ] - [ 0.0015994800000000, -0.0036485700000000, -0.0016953000000000 ] - [ 0.0024504100000000, -0.0001997500000000, 0.0089454700000000 ] - [ -0.0000828900000000, 0.0000000000000000, 0.0007688200000000 ] - [ 0.0024504100000000, 0.0001997500000000, 0.0089454700000000 ] - [ -0.0013323100000000, 0.0000000000000000, 0.0055449900000000 ] - [ 0.0006372100000000, 0.0007178600000000, 0.0013749300000000 ] - [ 0.0006372100000000, -0.0007178600000000, 0.0013749300000000 ] - [ -0.0017390000000000, 0.0033053400000000, 0.0042908300000000 ] - [ 0.0002109000000000, 0.0000000000000000, 0.0003807900000000 ] - [ -0.0017390000000000, -0.0033053400000000, 0.0042908300000000 ] - [ -0.0004220200000000, 0.0000000000000000, -0.0028201300000000 ] - [ -0.0007113500000000, 0.0000116900000000, -0.0005571700000000 ] - [ -0.0007113500000000, -0.0000116900000000, -0.0005571700000000 ] - [ 0.0070018800000000, -0.0041077100000000, -0.0105603300000000 ] - [ -0.0006171500000000, 0.0000000000000000, -0.0004125900000000 ] - [ 0.0070018800000000, 0.0041077100000000, -0.0105603300000000 ] - [ -0.0004368600000000, 0.0000226100000000, -0.0000594500000000 ] - [ -0.0000963000000000, 0.0000000000000000, -0.0000006700000000 ] - [ -0.0004368600000000, -0.0000226100000000, -0.0000594500000000 ] - [ -0.0005992900000000, 0.0000000000000000, -0.0002636300000000 ] - [ -0.0003837900000000, 0.0000033800000000, -0.0001847100000000 ] - [ -0.0003837900000000, -0.0000033800000000, -0.0001847100000000 ] - [ 0.0011555500000000, 0.0000409300000000, -0.0004242300000000 ] - [ 0.0009879500000000, 0.0000000000000000, -0.0000709900000000 ] - [ 0.0011555500000000, -0.0000409300000000, -0.0004242300000000 ] - [ -0.0010705500000000, 0.0000000000000000, -0.0002271100000000 ] - [ -0.0008288000000000, 0.0000227300000000, -0.0002127500000000 ] - [ -0.0008288000000000, -0.0000227300000000, -0.0002127500000000 ] - [ -0.0022145800000000, -0.0000551900000000, 0.0003348300000000 ] - [ -0.0016613000000000, 0.0000000000000000, -0.0000225400000000 ] - [ -0.0022145800000000, 0.0000551900000000, 0.0003348300000000 ] - [ -0.0014648400000000, 0.0000000000000000, 0.0005514100000000 ] - [ -0.0006950100000000, 0.0000848300000000, 0.0005218700000000 ] - [ -0.0006950100000000, -0.0000848300000000, 0.0005218700000000 ] - [ 0.0005329200000000, -0.0000636300000000, 0.0007622100000000 ] - [ 0.0004190900000000, 0.0000000000000000, 0.0004575700000000 ] - [ 0.0005329200000000, 0.0000636300000000, 0.0007622100000000 ] - [ -0.0004177800000000, 0.0000000000000000, -0.0000280700000000 ] - [ -0.0000932100000000, 0.0000127900000000, 0.0001045500000000 ] - [ -0.0000932100000000, -0.0000127900000000, 0.0001045500000000 ] - [ -0.0000325400000000, 0.0000000000000000, -0.0002440300000000 ] - [ 0.0000532500000000, 0.0000201500000000, -0.0002772800000000 ] - [ 0.0000532500000000, -0.0000201500000000, -0.0002772800000000 ] - [ -0.0012029100000000, 0.0000000000000000, -0.0008493800000000 ] - [ -0.0002855600000000, 0.0000427600000000, -0.0003169600000000 ] - [ -0.0002855600000000, -0.0000427600000000, -0.0003169600000000 ] - [ 0.0000412000000000, 0.0000000000000000, 0.0001695800000000 ] - [ 0.0002659500000000, 0.0000073700000000, 0.0003109300000000 ] - [ 0.0002659500000000, -0.0000073700000000, 0.0003109300000000 ] - [ 0.0007310700000000, -0.0000976300000000, 0.0007405800000000 ] - [ 0.0000518300000000, 0.0000000000000000, 0.0001989500000000 ] - [ 0.0007310700000000, 0.0000976300000000, 0.0007405800000000 ] - [ -0.0005428000000000, -0.0003782500000000, 0.0008602400000000 ] - [ -0.0000228300000000, 0.0000000000000000, -0.0000458300000000 ] - [ -0.0005428000000000, 0.0003782500000000, 0.0008602400000000 ] - [ -0.0009853900000000, 0.0002495700000000, -0.0010444700000000 ] - [ -0.0002786700000000, 0.0000000000000000, -0.0003428100000000 ] - [ -0.0009853900000000, -0.0002495700000000, -0.0010444700000000 ] - [ -0.0015094700000000, 0.0000000000000000, 0.0088086200000000 ] - [ -0.0001445600000000, -0.0000633500000000, 0.0011972800000000 ] - [ -0.0001445600000000, 0.0000633500000000, 0.0011972800000000 ] - [ -0.0030176000000000, 0.0121933700000000, -0.0154667700000000 ] - [ -0.0001797800000000, 0.0000000000000000, -0.0010831400000000 ] - [ -0.0030176000000000, -0.0121933700000000, -0.0154667700000000 ] - [ 0.0045608500000000, 0.0000000000000000, -0.0052228700000000 ] - [ 0.0002859200000000, -0.0003770800000000, -0.0003022200000000 ] - [ 0.0002859200000000, 0.0003770800000000, -0.0003022200000000 ] - [ 0.0014025400000000, -0.0001293000000000, -0.0036176600000000 ] - [ 0.0004000300000000, 0.0000000000000000, -0.0009226400000000 ] - [ 0.0014025400000000, 0.0001293000000000, -0.0036176600000000 ] - [ 0.0009932000000000, 0.0000000000000000, -0.0005106400000000 ] - [ 0.0003052300000000, -0.0000640800000000, -0.0000359700000000 ] - [ 0.0003052300000000, 0.0000640800000000, -0.0000359700000000 ] - [ -0.0011837200000000, -0.0063929500000000, -0.0036192700000000 ] - [ -0.0006184500000000, 0.0000000000000000, 0.0005946500000000 ] - [ -0.0011837200000000, 0.0063929500000000, -0.0036192700000000 ] - [ -0.0003444300000000, 0.0000000000000000, 0.0002387600000000 ] - [ -0.0006739500000000, -0.0000137100000000, 0.0001803100000000 ] - [ -0.0006739500000000, 0.0000137100000000, 0.0001803100000000 ] - [ 0.0021084600000000, 0.0024491800000000, 0.0008172200000000 ] - [ 0.0002822200000000, 0.0000000000000000, -0.0000095200000000 ] - [ 0.0021084600000000, -0.0024491800000000, 0.0008172200000000 ] - [ -0.0384631400000000, 0.0000000000000000, 0.0616178100000000 ] - [ -0.0017958000000000, 0.0035815000000000, -0.0014090600000000 ] - [ -0.0017958000000000, -0.0035815000000000, -0.0014090600000000 ] - [ -0.0007748200000000, -0.0005957800000000, 0.0008490900000000 ] - [ 0.0001121800000000, 0.0000000000000000, 0.0006963300000000 ] - [ -0.0007748200000000, 0.0005957800000000, 0.0008490900000000 ] - [ 0.0057667600000000, 0.0000000000000000, -0.0095373900000000 ] - [ 0.0007945800000000, -0.0013561000000000, -0.0001840900000000 ] - [ 0.0007945800000000, 0.0013561000000000, -0.0001840900000000 ] - [ -0.0006268000000000, -0.0013696800000000, -0.0014074200000000 ] - [ -0.0008938300000000, 0.0000000000000000, -0.0005984400000000 ] - [ -0.0006268000000000, 0.0013696800000000, -0.0014074200000000 ] - [ 0.0003093600000000, 0.0000000000000000, -0.0023752900000000 ] - [ 0.0008478400000000, 0.0013238100000000, -0.0009559000000000 ] - [ 0.0008478400000000, -0.0013238100000000, -0.0009559000000000 ] - [ 0.0036164000000000, -0.0133498900000000, 0.0012556700000000 ] - [ -0.0020681200000000, 0.0000000000000000, 0.0004990600000000 ] - [ 0.0036164000000000, 0.0133498900000000, 0.0012556700000000 ] - [ -0.0000232600000000, 0.0000154300000000, 0.0002205500000000 ] - [ -0.0001575800000000, 0.0000000000000000, 0.0001912200000000 ] - [ -0.0000232600000000, -0.0000154300000000, 0.0002205500000000 ] - [ 0.0002324300000000, 0.0000000000000000, -0.0002220200000000 ] - [ 0.0000971800000000, -0.0000081900000000, -0.0003929200000000 ] - [ 0.0000971800000000, 0.0000081900000000, -0.0003929200000000 ] - [ 0.0006734800000000, -0.0000110600000000, 0.0005984500000000 ] - [ 0.0002259100000000, 0.0000000000000000, 0.0001278100000000 ] - [ 0.0006734800000000, 0.0000110600000000, 0.0005984500000000 ] - [ 0.0004441100000000, 0.0000000000000000, -0.0000343200000000 ] - [ 0.0002719000000000, -0.0000075300000000, -0.0001076300000000 ] - [ 0.0002719000000000, 0.0000075300000000, -0.0001076300000000 ] - [ -0.0004573300000000, 0.0000110400000000, -0.0001939700000000 ] - [ 0.0000784900000000, 0.0000000000000000, 0.0001639800000000 ] - [ -0.0004573300000000, -0.0000110400000000, -0.0001939700000000 ] - [ 0.0003254000000000, 0.0000000000000000, -0.0000822000000000 ] - [ 0.0000251100000000, -0.0000193800000000, -0.0001155200000000 ] - [ 0.0000251100000000, 0.0000193800000000, -0.0001155200000000 ] - [ -0.0000399600000000, 0.0001604100000000, -0.0006855000000000 ] - [ -0.0005024200000000, 0.0000000000000000, -0.0000488400000000 ] - [ -0.0000399600000000, -0.0001604100000000, -0.0006855000000000 ] - [ 0.0013800000000000, 0.0000000000000000, 0.0002428400000000 ] - [ 0.0003504800000000, -0.0000430500000000, 0.0000429700000000 ] - [ 0.0003504800000000, 0.0000430500000000, 0.0000429700000000 ] - [ 0.0012167700000000, -0.0001586200000000, -0.0009297400000000 ] - [ 0.0011010900000000, 0.0000000000000000, -0.0009258000000000 ] - [ 0.0012167700000000, 0.0001586200000000, -0.0009297400000000 ] - [ 0.0007944900000000, 0.0000000000000000, 0.0005181800000000 ] - [ 0.0006945900000000, 0.0000868900000000, 0.0005574200000000 ] - [ 0.0006945900000000, -0.0000868900000000, 0.0005574200000000 ] - [ 0.0004670400000000, -0.0000618900000000, 0.0001087000000000 ] - [ 0.0004026800000000, 0.0000000000000000, 0.0000739200000000 ] - [ 0.0004670400000000, 0.0000618900000000, 0.0001087000000000 ] - [ -0.0006908200000000, 0.0000000000000000, -0.0000096800000000 ] - [ -0.0007344200000000, 0.0000024900000000, -0.0000392800000000 ] - [ -0.0007344200000000, -0.0000024900000000, -0.0000392800000000 ] - [ 0.0017712400000000, -0.0000309200000000, -0.0001918000000000 ] - [ 0.0017156200000000, 0.0000000000000000, -0.0001694000000000 ] - [ 0.0017712400000000, 0.0000309200000000, -0.0001918000000000 ] - [ -0.0007830200000000, 0.0000000000000000, 0.0005468100000000 ] - [ -0.0009197700000000, 0.0000140000000000, 0.0005260700000000 ] - [ -0.0009197700000000, -0.0000140000000000, 0.0005260700000000 ]- atom: 88 displacement: [ 0.0099999983408567, 0.0000000000000000, 0.0000057604567923 ] forces: - [ 0.0056330800000000, 0.0017770100000000, 0.0058345200000000 ] - [ 0.0056330800000000, -0.0017770100000000, 0.0058345200000000 ] - [ 0.0024811000000000, 0.0000000000000000, 0.0025208300000000 ] - [ 0.0262515600000000, 0.0000000000000000, 0.0078932000000000 ] - [ 0.0040744000000000, -0.0069036600000000, -0.0018242800000000 ] - [ 0.0040744000000000, 0.0069036600000000, -0.0018242800000000 ] - [ 0.0092285400000000, 0.0032602300000000, 0.0027141900000000 ] - [ 0.0092285400000000, -0.0032602300000000, 0.0027141900000000 ] - [ 0.0033183200000000, 0.0000000000000000, -0.0002474000000000 ] - [ 0.0012624700000000, 0.0000000000000000, 0.0120633200000000 ] - [ -0.0003092700000000, -0.0016902100000000, 0.0005275000000000 ] - [ -0.0003092700000000, 0.0016902100000000, 0.0005275000000000 ] - [ 0.0242345800000000, -0.0047177000000000, -0.0000054800000000 ] - [ 0.0242345800000000, 0.0047177000000000, -0.0000054800000000 ] - [ -0.0005934600000000, 0.0000000000000000, 0.0009220400000000 ] - [ -0.0025791900000000, 0.0000000000000000, -0.0111039400000000 ] - [ -0.0003670100000000, -0.0020873600000000, 0.0002628600000000 ] - [ -0.0003670100000000, 0.0020873600000000, 0.0002628600000000 ] - [ -0.0019788300000000, 0.0000000000000000, -0.0006518300000000 ] - [ -0.0009662700000000, 0.0000271800000000, -0.0003092200000000 ] - [ -0.0009662700000000, -0.0000271800000000, -0.0003092200000000 ] - [ -0.0025027100000000, 0.0000794600000000, -0.0003665300000000 ] - [ -0.0025027100000000, -0.0000794600000000, -0.0003665300000000 ] - [ -0.0011989900000000, 0.0000000000000000, -0.0003387800000000 ] - [ -0.0011877400000000, 0.0000000000000000, -0.0002202700000000 ] - [ 0.0000081700000000, -0.0000840500000000, -0.0000264500000000 ] - [ 0.0000081700000000, 0.0000840500000000, -0.0000264500000000 ] - [ -0.0018429600000000, -0.0001115300000000, -0.0012566700000000 ] - [ -0.0018429600000000, 0.0001115300000000, -0.0012566700000000 ] - [ -0.0011366600000000, 0.0000000000000000, -0.0004796700000000 ] - [ -0.0055301500000000, 0.0000000000000000, -0.0004135300000000 ] - [ -0.0027663000000000, -0.0003622900000000, -0.0003755500000000 ] - [ -0.0027663000000000, 0.0003622900000000, -0.0003755500000000 ] - [ -0.0021879700000000, -0.0001551400000000, 0.0007722900000000 ] - [ -0.0021879700000000, 0.0001551400000000, 0.0007722900000000 ] - [ -0.0009135200000000, 0.0000000000000000, 0.0005910900000000 ] - [ -0.0030346700000000, 0.0000000000000000, -0.0024434800000000 ] - [ -0.0000440400000000, -0.0001537100000000, 0.0000371600000000 ] - [ -0.0000440400000000, 0.0001537100000000, 0.0000371600000000 ] - [ -0.0004521600000000, -0.0001320600000000, -0.0001626900000000 ] - [ -0.0004521600000000, 0.0001320600000000, -0.0001626900000000 ] - [ -0.0000049700000000, 0.0000000000000000, 0.0001832200000000 ] - [ -0.0011204300000000, -0.0002639400000000, 0.0032373100000000 ] - [ -0.0011204300000000, 0.0002639400000000, 0.0032373100000000 ] - [ -0.0001158200000000, 0.0000000000000000, 0.0004012800000000 ] - [ 0.0006486900000000, -0.0000913000000000, 0.0005383800000000 ] - [ 0.0006486900000000, 0.0000913000000000, 0.0005383800000000 ] - [ 0.0002257200000000, 0.0000000000000000, 0.0001341000000000 ] - [ -0.0025508700000000, -0.0004214700000000, -0.0018663500000000 ] - [ -0.0025508700000000, 0.0004214700000000, -0.0018663500000000 ] - [ -0.0001927100000000, 0.0000000000000000, -0.0001394400000000 ] - [ -0.0016092400000000, 0.0000000000000000, -0.0006835300000000 ] - [ -0.0004148100000000, -0.0000715200000000, -0.0001072300000000 ] - [ -0.0004148100000000, 0.0000715200000000, -0.0001072300000000 ] - [ -0.0006708300000000, 0.0000000000000000, 0.0007186800000000 ] - [ -0.0000890600000000, -0.0001008700000000, 0.0000371200000000 ] - [ -0.0000890600000000, 0.0001008700000000, 0.0000371200000000 ] - [ -0.0019802600000000, 0.0000000000000000, -0.0011613100000000 ] - [ -0.0006197600000000, -0.0000493700000000, -0.0005354400000000 ] - [ -0.0006197600000000, 0.0000493700000000, -0.0005354400000000 ] - [ -0.0069745200000000, 0.0011090900000000, -0.0098754000000000 ] - [ -0.0069745200000000, -0.0011090900000000, -0.0098754000000000 ] - [ -0.0015515600000000, 0.0000000000000000, -0.0034405400000000 ] - [ 0.0115905400000000, 0.0000000000000000, 0.0205911400000000 ] - [ -0.0003558500000000, 0.0005245700000000, -0.0002448600000000 ] - [ -0.0003558500000000, -0.0005245700000000, -0.0002448600000000 ] - [ -0.0010318300000000, -0.0002318800000000, -0.0017797000000000 ] - [ -0.0010318300000000, 0.0002318800000000, -0.0017797000000000 ] - [ -0.0004510000000000, 0.0000000000000000, -0.0005568700000000 ] - [ 0.0181021100000000, 0.0000000000000000, -0.0194694900000000 ] - [ 0.0001221200000000, 0.0007279000000000, -0.0000891200000000 ] - [ 0.0001221200000000, -0.0007279000000000, -0.0000891200000000 ] - [ -0.0044906500000000, 0.0042320700000000, 0.0068278300000000 ] - [ -0.0044906500000000, -0.0042320700000000, 0.0068278300000000 ] - [ -0.0009715000000000, 0.0000000000000000, 0.0013083900000000 ] - [ 0.0015304700000000, 0.0000000000000000, -0.0001943000000000 ] - [ -0.0000522400000000, 0.0003157100000000, 0.0001358700000000 ] - [ -0.0000522400000000, -0.0003157100000000, 0.0001358700000000 ] - [ 0.0046147200000000, 0.0065502800000000, -0.0016114400000000 ] - [ 0.0046147200000000, -0.0065502800000000, -0.0016114400000000 ] - [ -0.0000356600000000, 0.0000000000000000, -0.0000031000000000 ] - [ 0.0035940800000000, 0.0000000000000000, 0.0003507400000000 ] - [ 0.0006756100000000, 0.0001788800000000, -0.0000000600000000 ] - [ 0.0006756100000000, -0.0001788800000000, -0.0000000600000000 ] - [ -0.0008291500000000, -0.0035512200000000, 0.0000617500000000 ] - [ -0.0008291500000000, 0.0035512200000000, 0.0000617500000000 ] - [ -0.0001962800000000, 0.0000000000000000, -0.0007175900000000 ] - [ -0.1040607400000000, 0.0000000000000000, 0.0122411300000000 ] - [ -0.0048546300000000, -0.0114373600000000, 0.0019808400000000 ] - [ -0.0048546300000000, 0.0114373600000000, 0.0019808400000000 ] - [ -0.0012087700000000, -0.0028256800000000, -0.0014054500000000 ] - [ -0.0012087700000000, 0.0028256800000000, -0.0014054500000000 ] - [ -0.0005234900000000, 0.0000000000000000, -0.0003756800000000 ] - [ -0.0019290300000000, 0.0000000000000000, -0.0079144200000000 ] - [ -0.0018946800000000, 0.0012472800000000, -0.0005351000000000 ] - [ -0.0018946800000000, -0.0012472800000000, -0.0005351000000000 ] - [ 0.0053112100000000, -0.0260136400000000, -0.0069409600000000 ] - [ 0.0053112100000000, 0.0260136400000000, -0.0069409600000000 ] - [ -0.0014237400000000, 0.0000000000000000, -0.0001049700000000 ] - [ -0.0038303000000000, 0.0000000000000000, -0.0012904100000000 ] - [ -0.0018595900000000, 0.0002869400000000, -0.0001230900000000 ] - [ -0.0018595900000000, -0.0002869400000000, -0.0001230900000000 ] - [ 0.0006947900000000, 0.0000000000000000, 0.0013887400000000 ] - [ 0.0001686000000000, 0.0000337600000000, 0.0007640100000000 ] - [ 0.0001686000000000, -0.0000337600000000, 0.0007640100000000 ] - [ 0.0006466100000000, 0.0000346500000000, -0.0000652200000000 ] - [ 0.0006466100000000, -0.0000346500000000, -0.0000652200000000 ] - [ 0.0002978500000000, 0.0000000000000000, -0.0002041100000000 ] - [ 0.0016943800000000, 0.0000000000000000, 0.0007213200000000 ] - [ 0.0006975700000000, 0.0000313100000000, 0.0001765200000000 ] - [ 0.0006975700000000, -0.0000313100000000, 0.0001765200000000 ] - [ 0.0023704100000000, 0.0001352300000000, 0.0011198200000000 ] - [ 0.0023704100000000, -0.0001352300000000, 0.0011198200000000 ] - [ 0.0007977800000000, 0.0000000000000000, 0.0001574300000000 ] - [ 0.0022302300000000, 0.0000000000000000, 0.0005990700000000 ] - [ 0.0008616000000000, 0.0000823500000000, 0.0003155200000000 ] - [ 0.0008616000000000, -0.0000823500000000, 0.0003155200000000 ] - [ 0.0004439000000000, 0.0000634900000000, 0.0000941200000000 ] - [ 0.0004439000000000, -0.0000634900000000, 0.0000941200000000 ] - [ 0.0000509000000000, 0.0000000000000000, -0.0001379400000000 ] - [ 0.0036846600000000, 0.0000000000000000, 0.0007763400000000 ] - [ 0.0002611500000000, 0.0001676000000000, 0.0000858900000000 ] - [ 0.0002611500000000, -0.0001676000000000, 0.0000858900000000 ] - [ 0.0011713400000000, 0.0001584800000000, -0.0021464200000000 ] - [ 0.0011713400000000, -0.0001584800000000, -0.0021464200000000 ] - [ 0.0002489400000000, 0.0000000000000000, -0.0005463300000000 ] - [ 0.0018733200000000, 0.0000000000000000, -0.0009861100000000 ] - [ 0.0015118300000000, -0.0003204300000000, -0.0009590300000000 ] - [ 0.0015118300000000, 0.0003204300000000, -0.0009590300000000 ] - [ 0.0015403900000000, -0.0005967900000000, 0.0005942700000000 ] - [ 0.0015403900000000, 0.0005967900000000, 0.0005942700000000 ] - [ 0.0010895800000000, 0.0000000000000000, 0.0005954800000000 ] - [ 0.0012517000000000, 0.0000000000000000, 0.0003348100000000 ] - [ 0.0008112500000000, -0.0002011100000000, 0.0001847300000000 ] - [ 0.0008112500000000, 0.0002011100000000, 0.0001847300000000 ] - [ -0.0000604600000000, -0.0002695200000000, 0.0001428800000000 ] - [ -0.0000604600000000, 0.0002695200000000, 0.0001428800000000 ] - [ -0.0004045800000000, 0.0000000000000000, 0.0000269300000000 ] - [ 0.0027591700000000, 0.0000000000000000, -0.0000719100000000 ] - [ 0.0021901800000000, -0.0000858100000000, -0.0001042000000000 ] - [ 0.0021901800000000, 0.0000858100000000, -0.0001042000000000 ] - [ -0.0004717600000000, -0.0001085900000000, 0.0006701200000000 ] - [ -0.0004717600000000, 0.0001085900000000, 0.0006701200000000 ] - [ -0.0007411900000000, 0.0000000000000000, 0.0005785000000000 ]- atom: 88 displacement: [ -0.0099999983408567, 0.0000000000000000, -0.0000057604567923 ] forces: - [ -0.0051575600000000, -0.0017583300000000, -0.0055040200000000 ] - [ -0.0051575600000000, 0.0017583300000000, -0.0055040200000000 ] - [ -0.0020912900000000, 0.0000000000000000, -0.0023090600000000 ] - [ -0.0232235800000000, 0.0000000000000000, -0.0085278900000000 ] - [ -0.0043512600000000, 0.0068659700000000, 0.0015638500000000 ] - [ -0.0043512600000000, -0.0068659700000000, 0.0015638500000000 ] - [ -0.0070684900000000, -0.0032524800000000, -0.0026463500000000 ] - [ -0.0070684900000000, 0.0032524800000000, -0.0026463500000000 ] - [ -0.0012278800000000, 0.0000000000000000, 0.0003231200000000 ] - [ -0.0024658700000000, 0.0000000000000000, -0.0123112100000000 ] - [ -0.0009594200000000, 0.0016694400000000, -0.0009771000000000 ] - [ -0.0009594200000000, -0.0016694400000000, -0.0009771000000000 ] - [ -0.0268733400000000, 0.0044679200000000, -0.0002365400000000 ] - [ -0.0268733400000000, -0.0044679200000000, -0.0002365400000000 ] - [ -0.0022596500000000, 0.0000000000000000, -0.0011761200000000 ] - [ 0.0018450600000000, 0.0000000000000000, 0.0120238200000000 ] - [ -0.0003279900000000, 0.0020544800000000, 0.0008919800000000 ] - [ -0.0003279900000000, -0.0020544800000000, 0.0008919800000000 ] - [ 0.0023139500000000, 0.0000000000000000, 0.0008272800000000 ] - [ 0.0013240100000000, -0.0000302500000000, 0.0004972800000000 ] - [ 0.0013240100000000, 0.0000302500000000, 0.0004972800000000 ] - [ 0.0021676700000000, -0.0000727500000000, 0.0001141100000000 ] - [ 0.0021676700000000, 0.0000727500000000, 0.0001141100000000 ] - [ 0.0008693500000000, 0.0000000000000000, 0.0000859400000000 ] - [ 0.0032339300000000, 0.0000000000000000, 0.0003011900000000 ] - [ 0.0020577700000000, 0.0000784200000000, 0.0001067700000000 ] - [ 0.0020577700000000, -0.0000784200000000, 0.0001067700000000 ] - [ 0.0005459900000000, 0.0001148200000000, 0.0008042200000000 ] - [ 0.0005459900000000, -0.0001148200000000, 0.0008042200000000 ] - [ -0.0001519600000000, 0.0000000000000000, 0.0000247900000000 ] - [ 0.0026320500000000, 0.0000000000000000, 0.0001549400000000 ] - [ -0.0000810700000000, 0.0003527700000000, 0.0001158600000000 ] - [ -0.0000810700000000, -0.0003527700000000, 0.0001158600000000 ] - [ 0.0014567300000000, 0.0001572600000000, 0.0003731500000000 ] - [ 0.0014567300000000, -0.0001572600000000, 0.0003731500000000 ] - [ 0.0001887600000000, 0.0000000000000000, 0.0005601300000000 ] - [ 0.0036310500000000, 0.0000000000000000, 0.0030595800000000 ] - [ 0.0006915900000000, 0.0001511500000000, 0.0006208900000000 ] - [ 0.0006915900000000, -0.0001511500000000, 0.0006208900000000 ] - [ 0.0004509400000000, 0.0001451100000000, 0.0004893500000000 ] - [ 0.0004509400000000, -0.0001451100000000, 0.0004893500000000 ] - [ 0.0000204800000000, 0.0000000000000000, 0.0001494700000000 ] - [ 0.0012373900000000, 0.0002596400000000, -0.0036790300000000 ] - [ 0.0012373900000000, -0.0002596400000000, -0.0036790300000000 ] - [ 0.0002344200000000, 0.0000000000000000, -0.0008423300000000 ] - [ -0.0008770400000000, 0.0000910300000000, -0.0008929100000000 ] - [ -0.0008770400000000, -0.0000910300000000, -0.0008929100000000 ] - [ -0.0004520100000000, 0.0000000000000000, -0.0004889000000000 ] - [ 0.0031867700000000, 0.0004229800000000, 0.0025163100000000 ] - [ 0.0031867700000000, -0.0004229800000000, 0.0025163100000000 ] - [ 0.0008285400000000, 0.0000000000000000, 0.0007880100000000 ] - [ 0.0016094500000000, 0.0000000000000000, 0.0010100800000000 ] - [ 0.0004344700000000, 0.0000702400000000, 0.0004424700000000 ] - [ 0.0004344700000000, -0.0000702400000000, 0.0004424700000000 ] - [ 0.0007806500000000, 0.0000000000000000, -0.0011524300000000 ] - [ 0.0002109300000000, 0.0000990800000000, -0.0004867300000000 ] - [ 0.0002109300000000, -0.0000990800000000, -0.0004867300000000 ] - [ 0.0017287600000000, 0.0000000000000000, 0.0007949200000000 ] - [ 0.0003938100000000, 0.0000483500000000, 0.0001798800000000 ] - [ 0.0003938100000000, -0.0000483500000000, 0.0001798800000000 ] - [ 0.0064216100000000, -0.0009953500000000, 0.0098045900000000 ] - [ 0.0064216100000000, 0.0009953500000000, 0.0098045900000000 ] - [ 0.0010337400000000, 0.0000000000000000, 0.0036047500000000 ] - [ -0.0113251000000000, 0.0000000000000000, -0.0211619000000000 ] - [ 0.0003512600000000, -0.0005201300000000, -0.0008684400000000 ] - [ 0.0003512600000000, 0.0005201300000000, -0.0008684400000000 ] - [ 0.0011659800000000, 0.0002272100000000, 0.0017409000000000 ] - [ 0.0011659800000000, -0.0002272100000000, 0.0017409000000000 ] - [ 0.0005903900000000, 0.0000000000000000, 0.0005270000000000 ] - [ -0.0173577100000000, 0.0000000000000000, 0.0189208100000000 ] - [ 0.0002245400000000, -0.0007240100000000, -0.0000838300000000 ] - [ 0.0002245400000000, 0.0007240100000000, -0.0000838300000000 ] - [ 0.0047250500000000, -0.0042058200000000, -0.0063099700000000 ] - [ 0.0047250500000000, 0.0042058200000000, -0.0063099700000000 ] - [ 0.0011852200000000, 0.0000000000000000, -0.0008459300000000 ] - [ -0.0018035600000000, 0.0000000000000000, -0.0000327700000000 ] - [ -0.0002368000000000, -0.0003105700000000, -0.0003716700000000 ] - [ -0.0002368000000000, 0.0003105700000000, -0.0003716700000000 ] - [ -0.0058991300000000, -0.0066363000000000, 0.0019139000000000 ] - [ -0.0058991300000000, 0.0066363000000000, 0.0019139000000000 ] - [ -0.0011742000000000, 0.0000000000000000, 0.0002883000000000 ] - [ -0.0033727400000000, 0.0000000000000000, -0.0004029200000000 ] - [ -0.0005135200000000, -0.0001754000000000, -0.0000578500000000 ] - [ -0.0005135200000000, 0.0001754000000000, -0.0000578500000000 ] - [ 0.0027012300000000, 0.0034928700000000, -0.0018956400000000 ] - [ 0.0027012300000000, -0.0034928700000000, -0.0018956400000000 ] - [ 0.0020882500000000, 0.0000000000000000, -0.0011293500000000 ] - [ 0.1011346800000000, 0.0000000000000000, -0.0103521500000000 ] - [ 0.0058694500000000, 0.0113437500000000, -0.0007429300000000 ] - [ 0.0058694500000000, -0.0113437500000000, -0.0007429300000000 ] - [ 0.0018284600000000, 0.0027866600000000, 0.0014811800000000 ] - [ 0.0018284600000000, -0.0027866600000000, 0.0014811800000000 ] - [ 0.0011627700000000, 0.0000000000000000, 0.0004713800000000 ] - [ 0.0002984400000000, 0.0000000000000000, 0.0077268100000000 ] - [ 0.0003114900000000, -0.0012421200000000, 0.0004135000000000 ] - [ 0.0003114900000000, 0.0012421200000000, 0.0004135000000000 ] - [ -0.0020989600000000, 0.0257193000000000, 0.0065249800000000 ] - [ -0.0020989600000000, -0.0257193000000000, 0.0065249800000000 ] - [ 0.0046654700000000, 0.0000000000000000, -0.0002173500000000 ] - [ 0.0016894600000000, 0.0000000000000000, 0.0022516800000000 ] - [ -0.0002446700000000, -0.0002900800000000, 0.0011077100000000 ] - [ -0.0002446700000000, 0.0002900800000000, 0.0011077100000000 ] - [ -0.0011882300000000, 0.0000000000000000, -0.0011796400000000 ] - [ -0.0006777500000000, -0.0000323300000000, -0.0005819900000000 ] - [ -0.0006777500000000, 0.0000323300000000, -0.0005819900000000 ] - [ -0.0006357100000000, -0.0000355200000000, -0.0010274700000000 ] - [ -0.0006357100000000, 0.0000355200000000, -0.0010274700000000 ] - [ -0.0002861400000000, 0.0000000000000000, -0.0008850400000000 ] - [ -0.0015304300000000, 0.0000000000000000, -0.0007405100000000 ] - [ -0.0005585600000000, -0.0000303100000000, -0.0001966200000000 ] - [ -0.0005585600000000, 0.0000303100000000, -0.0001966200000000 ] - [ -0.0020003700000000, -0.0001358700000000, -0.0012958500000000 ] - [ -0.0020003700000000, 0.0001358700000000, -0.0012958500000000 ] - [ -0.0004257400000000, 0.0000000000000000, -0.0003330800000000 ] - [ -0.0019876500000000, 0.0000000000000000, -0.0001441600000000 ] - [ -0.0006383000000000, -0.0000803800000000, 0.0001343400000000 ] - [ -0.0006383000000000, 0.0000803800000000, 0.0001343400000000 ] - [ -0.0007093500000000, -0.0000648000000000, -0.0003258000000000 ] - [ -0.0007093500000000, 0.0000648000000000, -0.0003258000000000 ] - [ -0.0003257900000000, 0.0000000000000000, -0.0000994500000000 ] - [ -0.0048461500000000, 0.0000000000000000, -0.0004800800000000 ] - [ -0.0014851300000000, -0.0001642000000000, 0.0001993400000000 ] - [ -0.0014851300000000, 0.0001642000000000, 0.0001993400000000 ] - [ -0.0009908500000000, -0.0001580700000000, 0.0020818900000000 ] - [ -0.0009908500000000, 0.0001580700000000, 0.0020818900000000 ] - [ -0.0000753500000000, 0.0000000000000000, 0.0004833800000000 ] - [ 0.0000490800000000, 0.0000000000000000, -0.0008630900000000 ] - [ 0.0004080800000000, 0.0003222700000000, -0.0008909100000000 ] - [ 0.0004080800000000, -0.0003222700000000, -0.0008909100000000 ] - [ -0.0004351200000000, 0.0005812200000000, 0.0006313900000000 ] - [ -0.0004351200000000, -0.0005812200000000, 0.0006313900000000 ] - [ 0.0000093900000000, 0.0000000000000000, 0.0006295900000000 ] - [ -0.0005933800000000, 0.0000000000000000, -0.0002370200000000 ] - [ -0.0001582000000000, 0.0002018800000000, -0.0000875600000000 ] - [ -0.0001582000000000, -0.0002018800000000, -0.0000875600000000 ] - [ -0.0015029200000000, 0.0002600900000000, -0.0002594900000000 ] - [ -0.0015029200000000, -0.0002600900000000, -0.0002594900000000 ] - [ -0.0011606400000000, 0.0000000000000000, -0.0001438200000000 ] - [ 0.0005230000000000, 0.0000000000000000, -0.0002490300000000 ] - [ 0.0010818800000000, 0.0000858100000000, -0.0002182800000000 ] - [ 0.0010818800000000, -0.0000858100000000, -0.0002182800000000 ] - [ -0.0016069700000000, 0.0001084600000000, 0.0003267800000000 ] - [ -0.0016069700000000, -0.0001084600000000, 0.0003267800000000 ] - [ -0.0013385400000000, 0.0000000000000000, 0.0004190600000000 ]- atom: 88 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0122457300000000, 0.0042768800000000, 0.0216862200000000 ] - [ -0.0119863500000000, 0.0043475900000000, -0.0216513400000000 ] - [ 0.0001578200000000, -0.0078825900000000, 0.0000566700000000 ] - [ 0.0003345500000000, 0.0297493100000000, -0.0002541600000000 ] - [ -0.0090877700000000, -0.0114887900000000, 0.0005117700000000 ] - [ 0.0086884500000000, -0.0115662700000000, -0.0007447100000000 ] - [ 0.0098403200000000, 0.0041087900000000, -0.0073405200000000 ] - [ -0.0078036200000000, 0.0042752600000000, 0.0073413600000000 ] - [ 0.0010124900000000, -0.0084588400000000, 0.0000444300000000 ] - [ -0.0006363500000000, 0.0063831700000000, -0.0003413000000000 ] - [ -0.0015545000000000, -0.0031049400000000, 0.0014098500000000 ] - [ 0.0002755300000000, -0.0031476100000000, -0.0018672300000000 ] - [ 0.0187844700000000, 0.0279798700000000, 0.0026960400000000 ] - [ -0.0231731500000000, 0.0334851000000000, -0.0027618600000000 ] - [ -0.0014261000000000, -0.0378721900000000, -0.0001460200000000 ] - [ -0.0003300300000000, 0.0075927500000000, 0.0007055000000000 ] - [ -0.0026302600000000, -0.0038126800000000, -0.0023012700000000 ] - [ 0.0019093800000000, -0.0038620700000000, 0.0034382000000000 ] - [ 0.0001989200000000, 0.0017561300000000, 0.0000967300000000 ] - [ 0.0003837700000000, -0.0008752600000000, 0.0001393600000000 ] - [ 0.0000006900000000, -0.0008790200000000, 0.0000564000000000 ] - [ -0.0030867000000000, 0.0006848900000000, -0.0003512300000000 ] - [ 0.0028022300000000, 0.0006890700000000, 0.0001095100000000 ] - [ -0.0001472200000000, -0.0013750100000000, -0.0001221800000000 ] - [ 0.0010538000000000, 0.0015431600000000, 0.0000452600000000 ] - [ 0.0008722500000000, -0.0007684700000000, -0.0000910400000000 ] - [ 0.0012121400000000, -0.0007734700000000, 0.0001706800000000 ] - [ -0.0029871900000000, 0.0008515200000000, -0.0017222000000000 ] - [ 0.0017118900000000, 0.0008586200000000, 0.0012837200000000 ] - [ -0.0006328600000000, -0.0017157600000000, -0.0002222000000000 ] - [ -0.0013840200000000, 0.0014877800000000, -0.0001268800000000 ] - [ -0.0022024400000000, -0.0007389100000000, -0.0000617900000000 ] - [ -0.0006246200000000, -0.0007496300000000, -0.0001924500000000 ] - [ -0.0053807800000000, 0.0011878900000000, 0.0007978200000000 ] - [ 0.0046978600000000, 0.0011925200000000, 0.0003396900000000 ] - [ -0.0003434100000000, -0.0023686500000000, 0.0005742800000000 ] - [ 0.0003545200000000, 0.0002282100000000, 0.0003534000000000 ] - [ -0.0006934100000000, -0.0000943800000000, -0.0004448200000000 ] - [ 0.0013383100000000, -0.0000976600000000, 0.0011006100000000 ] - [ -0.0035431600000000, 0.0012833600000000, -0.0015874400000000 ] - [ 0.0035625300000000, 0.0012981300000000, 0.0019058000000000 ] - [ 0.0000139000000000, -0.0002661600000000, 0.0001695500000000 ] - [ -0.0021217700000000, 0.0003952400000000, 0.0073204800000000 ] - [ 0.0022541400000000, 0.0004006000000000, -0.0078472900000000 ] - [ 0.0000653600000000, -0.0005966800000000, -0.0002381900000000 ] - [ -0.0012871400000000, 0.0002230700000000, -0.0006202000000000 ] - [ 0.0010536100000000, 0.0002261300000000, 0.0002547300000000 ] - [ -0.0001126600000000, -0.0004249600000000, -0.0001791600000000 ] - [ -0.0055470700000000, 0.0004613100000000, -0.0053716800000000 ] - [ 0.0062369100000000, 0.0004660900000000, 0.0060894800000000 ] - [ 0.0003337000000000, -0.0005302500000000, 0.0003382400000000 ] - [ 0.0000256400000000, 0.0000896300000000, 0.0001762100000000 ] - [ -0.0005513400000000, -0.0000407800000000, -0.0001953500000000 ] - [ 0.0005740900000000, -0.0000423700000000, 0.0005318700000000 ] - [ 0.0000688000000000, 0.0001394100000000, -0.0002348700000000 ] - [ -0.0001736700000000, -0.0000716200000000, 0.0001712700000000 ] - [ 0.0002965700000000, -0.0000739100000000, -0.0006219200000000 ] - [ -0.0000939100000000, 0.0001088600000000, -0.0001683400000000 ] - [ -0.0006250900000000, -0.0000559800000000, -0.0004935400000000 ] - [ 0.0004045700000000, -0.0000571900000000, 0.0001413000000000 ] - [ -0.0093729500000000, 0.0103256000000000, -0.0419058500000000 ] - [ 0.0090127300000000, 0.0102984600000000, 0.0426445200000000 ] - [ -0.0002348200000000, 0.0037248700000000, 0.0001532000000000 ] - [ -0.0001232100000000, -0.0033474500000000, -0.0007511100000000 ] - [ 0.0024544500000000, 0.0011848600000000, 0.0039708300000000 ] - [ -0.0024284900000000, 0.0011962100000000, -0.0050471100000000 ] - [ 0.0007711900000000, -0.0007753200000000, -0.0007793100000000 ] - [ -0.0006380500000000, -0.0007886800000000, 0.0008181100000000 ] - [ 0.0000707900000000, 0.0012051600000000, -0.0000054400000000 ] - [ 0.0000240400000000, -0.0004520400000000, 0.0000714800000000 ] - [ 0.0030542900000000, 0.0012987300000000, -0.0023604000000000 ] - [ -0.0026773100000000, 0.0013064600000000, 0.0021683600000000 ] - [ -0.0000614900000000, 0.0049109000000000, 0.0156271300000000 ] - [ 0.0002749300000000, 0.0048597800000000, -0.0152957500000000 ] - [ 0.0001170000000000, 0.0025683400000000, 0.0002047100000000 ] - [ -0.0001635800000000, -0.0010992400000000, -0.0001159100000000 ] - [ 0.0008666100000000, 0.0005342100000000, 0.0000358400000000 ] - [ -0.0011447600000000, 0.0005418000000000, -0.0002738200000000 ] - [ 0.0161315500000000, 0.0019024700000000, -0.0031130100000000 ] - [ -0.0176110000000000, 0.0018725100000000, 0.0034506600000000 ] - [ -0.0006349600000000, 0.0023489400000000, 0.0001475800000000 ] - [ 0.0000453400000000, -0.0004454800000000, -0.0000324600000000 ] - [ 0.0014144500000000, 0.0002302900000000, -0.0000377400000000 ] - [ -0.0012486700000000, 0.0002342100000000, -0.0000216600000000 ] - [ -0.0033843800000000, -0.0021690400000000, -0.0012377400000000 ] - [ 0.0053446600000000, -0.0022593000000000, -0.0006306800000000 ] - [ 0.0009692700000000, 0.0049935700000000, -0.0009248800000000 ] - [ 0.0015244300000000, -0.2218878300000000, 0.0003336400000000 ] - [ 0.0120295700000000, 0.0439887100000000, -0.0020751000000000 ] - [ -0.0107552600000000, 0.0436113700000000, 0.0032592300000000 ] - [ -0.0022532200000000, -0.0021077300000000, -0.0010290300000000 ] - [ 0.0029195100000000, -0.0021867200000000, 0.0011583500000000 ] - [ 0.0003317700000000, 0.0044660300000000, 0.0000551900000000 ] - [ -0.0008119800000000, -0.0102849600000000, 0.0000434900000000 ] - [ -0.0001172900000000, 0.0057829800000000, -0.0018218700000000 ] - [ -0.0014528600000000, 0.0058284300000000, 0.0017012000000000 ] - [ -0.0241061100000000, 0.0213653700000000, 0.0106394900000000 ] - [ 0.0277626600000000, 0.0214120200000000, -0.0111095200000000 ] - [ 0.0016606500000000, 0.0124128200000000, -0.0001658300000000 ] - [ -0.0010213200000000, -0.0122298200000000, 0.0005014100000000 ] - [ -0.0001716400000000, 0.0059352800000000, 0.0012902100000000 ] - [ -0.0018986000000000, 0.0059403200000000, -0.0002830000000000 ] - [ -0.0002604800000000, -0.0002745800000000, 0.0000862400000000 ] - [ -0.0002089300000000, 0.0001369300000000, 0.0000180600000000 ] - [ -0.0003086300000000, 0.0001380000000000, 0.0001477000000000 ] - [ 0.0010518400000000, -0.0002179100000000, 0.0000730700000000 ] - [ -0.0010565600000000, -0.0002189900000000, -0.0011823000000000 ] - [ 0.0000002900000000, 0.0004297500000000, -0.0005508100000000 ] - [ 0.0000565500000000, -0.0002709300000000, -0.0000228500000000 ] - [ 0.0003254300000000, 0.0001351200000000, 0.0002515800000000 ] - [ -0.0001975700000000, 0.0001365400000000, -0.0002731200000000 ] - [ 0.0043190500000000, -0.0002992100000000, 0.0027159700000000 ] - [ -0.0039922400000000, -0.0003020900000000, -0.0029215200000000 ] - [ 0.0001722900000000, 0.0005454600000000, -0.0000946500000000 ] - [ 0.0000891500000000, -0.0002454300000000, 0.0002217900000000 ] - [ 0.0006248900000000, 0.0001204800000000, 0.0004575900000000 ] - [ -0.0004119200000000, 0.0001226400000000, -0.0000070200000000 ] - [ 0.0025095500000000, -0.0003206300000000, 0.0011016300000000 ] - [ -0.0027890200000000, -0.0003232500000000, -0.0013329600000000 ] - [ -0.0001436800000000, 0.0005211200000000, -0.0001211300000000 ] - [ -0.0006535600000000, -0.0002565200000000, 0.0001381000000000 ] - [ 0.0005315600000000, 0.0001215900000000, 0.0002584000000000 ] - [ -0.0017625200000000, 0.0001250800000000, 0.0000291600000000 ] - [ 0.0048545400000000, -0.0003598000000000, -0.0036590200000000 ] - [ -0.0047105200000000, -0.0003627300000000, 0.0036431800000000 ] - [ 0.0000732400000000, 0.0007109900000000, -0.0000206600000000 ] - [ 0.0009490400000000, -0.0032300300000000, -0.0009239500000000 ] - [ 0.0006191000000000, 0.0016098900000000, -0.0009065300000000 ] - [ 0.0012871000000000, 0.0016095500000000, -0.0009426500000000 ] - [ 0.0011292300000000, -0.0006093500000000, 0.0005764300000000 ] - [ -0.0000476700000000, -0.0006221400000000, 0.0006498300000000 ] - [ 0.0005426100000000, 0.0012325000000000, 0.0006129000000000 ] - [ 0.0003183700000000, -0.0021858100000000, 0.0000461500000000 ] - [ 0.0001758600000000, 0.0010861400000000, -0.0000310000000000 ] - [ 0.0004665300000000, 0.0010899200000000, 0.0001253500000000 ] - [ 0.0000144800000000, -0.0005340900000000, 0.0002522600000000 ] - [ -0.0015942800000000, -0.0005397500000000, -0.0003734000000000 ] - [ -0.0007885000000000, 0.0010761000000000, -0.0000600200000000 ] - [ 0.0016258800000000, -0.0015571000000000, -0.0001616000000000 ] - [ 0.0015683900000000, 0.0007756900000000, -0.0001680400000000 ] - [ 0.0016922100000000, 0.0007807100000000, -0.0001557600000000 ] - [ -0.0001355400000000, -0.0005293800000000, 0.0008024200000000 ] - [ -0.0019568400000000, -0.0005392600000000, 0.0001914700000000 ] - [ -0.0010450800000000, 0.0010694600000000, 0.0004970400000000 ]- atom: 88 displacement: [ -0.0020604768976038, 0.0000000000000000, 0.0097854195083523 ] forces: - [ -0.0029087100000000, 0.0001378600000000, -0.0088539800000000 ] - [ -0.0029087100000000, -0.0001378600000000, -0.0088539800000000 ] - [ -0.0000327600000000, 0.0000000000000000, -0.0009308600000000 ] - [ -0.0068424600000000, 0.0000000000000000, 0.0125302300000000 ] - [ -0.0017199800000000, 0.0031274900000000, 0.0015643200000000 ] - [ -0.0017199800000000, -0.0031274900000000, 0.0015643200000000 ] - [ 0.0025015100000000, -0.0041893500000000, -0.0046478200000000 ] - [ 0.0025015100000000, 0.0041893500000000, -0.0046478200000000 ] - [ 0.0003706400000000, 0.0000000000000000, -0.0005531900000000 ] - [ 0.0014086400000000, 0.0000000000000000, -0.0051742500000000 ] - [ -0.0002027700000000, 0.0006251700000000, -0.0015167100000000 ] - [ -0.0002027700000000, -0.0006251700000000, -0.0015167100000000 ] - [ -0.0082566300000000, 0.0008598400000000, 0.0113719100000000 ] - [ -0.0082566300000000, -0.0008598400000000, 0.0113719100000000 ] - [ -0.0015018900000000, 0.0000000000000000, 0.0006977500000000 ] - [ -0.0009851200000000, 0.0000000000000000, 0.0028778100000000 ] - [ -0.0009879800000000, 0.0000015900000000, 0.0008455100000000 ] - [ -0.0009879800000000, -0.0000015900000000, 0.0008455100000000 ] - [ 0.0006025500000000, 0.0000000000000000, 0.0001898300000000 ] - [ 0.0003957000000000, 0.0000351400000000, 0.0001385400000000 ] - [ 0.0003957000000000, -0.0000351400000000, 0.0001385400000000 ] - [ 0.0003802800000000, -0.0000299900000000, 0.0000092100000000 ] - [ 0.0003802800000000, 0.0000299900000000, 0.0000092100000000 ] - [ 0.0001149700000000, 0.0000000000000000, -0.0000391200000000 ] - [ 0.0014429300000000, 0.0000000000000000, 0.0000894400000000 ] - [ 0.0011932600000000, 0.0000452300000000, 0.0000439400000000 ] - [ 0.0011932600000000, -0.0000452300000000, 0.0000439400000000 ] - [ -0.0009390100000000, -0.0000713200000000, 0.0003064400000000 ] - [ -0.0009390100000000, 0.0000713200000000, 0.0003064400000000 ] - [ -0.0006015400000000, 0.0000000000000000, -0.0000798900000000 ] - [ -0.0004400200000000, 0.0000000000000000, -0.0000723100000000 ] - [ -0.0011290700000000, 0.0001003700000000, -0.0000737400000000 ] - [ -0.0011290700000000, -0.0001003700000000, -0.0000737400000000 ] - [ 0.0003966400000000, 0.0000163400000000, -0.0000983600000000 ] - [ 0.0003966400000000, -0.0000163400000000, -0.0000983600000000 ] - [ -0.0000708400000000, 0.0000000000000000, 0.0004084900000000 ] - [ 0.0014055400000000, 0.0000000000000000, 0.0010380400000000 ] - [ 0.0004665600000000, 0.0000421200000000, 0.0004524200000000 ] - [ 0.0004665600000000, -0.0000421200000000, 0.0004524200000000 ] - [ -0.0009104100000000, 0.0006016400000000, -0.0004363000000000 ] - [ -0.0009104100000000, -0.0006016400000000, -0.0004363000000000 ] - [ -0.0000104000000000, 0.0000000000000000, 0.0001242700000000 ] - [ 0.0007902600000000, 0.0005314500000000, -0.0014482400000000 ] - [ 0.0007902600000000, -0.0005314500000000, -0.0014482400000000 ] - [ 0.0001767100000000, 0.0000000000000000, -0.0005183000000000 ] - [ -0.0002659700000000, 0.0000564900000000, -0.0006712800000000 ] - [ -0.0002659700000000, -0.0000564900000000, -0.0006712800000000 ] - [ -0.0001822600000000, 0.0000000000000000, -0.0003101600000000 ] - [ 0.0014122100000000, -0.0001969700000000, 0.0014666500000000 ] - [ 0.0014122100000000, 0.0001969700000000, 0.0014666500000000 ] - [ 0.0005873900000000, 0.0000000000000000, 0.0005948700000000 ] - [ 0.0003667800000000, 0.0000000000000000, 0.0003380700000000 ] - [ 0.0000709500000000, 0.0000178600000000, 0.0001909800000000 ] - [ 0.0000709500000000, -0.0000178600000000, 0.0001909800000000 ] - [ 0.0001497800000000, 0.0000000000000000, -0.0002473700000000 ] - [ 0.0000623700000000, 0.0000219700000000, -0.0001695200000000 ] - [ 0.0000623700000000, -0.0000219700000000, -0.0001695200000000 ] - [ 0.0002040800000000, 0.0000000000000000, -0.0000585100000000 ] - [ -0.0000668800000000, 0.0000088400000000, -0.0001722300000000 ] - [ -0.0000668800000000, -0.0000088400000000, -0.0001722300000000 ] - [ 0.0026354700000000, -0.0124326600000000, 0.0147529400000000 ] - [ 0.0026354700000000, 0.0124326600000000, 0.0147529400000000 ] - [ 0.0000003700000000, 0.0000000000000000, 0.0008780100000000 ] - [ 0.0018332100000000, 0.0000000000000000, -0.0086009000000000 ] - [ 0.0000066600000000, -0.0000518500000000, -0.0015507000000000 ] - [ 0.0000066600000000, 0.0000518500000000, -0.0015507000000000 ] - [ -0.0008626700000000, 0.0001500500000000, 0.0034466400000000 ] - [ -0.0008626700000000, -0.0001500500000000, 0.0034466400000000 ] - [ -0.0001246000000000, 0.0000000000000000, 0.0008604500000000 ] - [ -0.0040573500000000, 0.0000000000000000, 0.0050179700000000 ] - [ -0.0000336800000000, -0.0003205100000000, 0.0001510400000000 ] - [ -0.0000336800000000, 0.0003205100000000, 0.0001510400000000 ] - [ 0.0015044000000000, 0.0052969800000000, 0.0044523700000000 ] - [ 0.0015044000000000, -0.0052969800000000, 0.0044523700000000 ] - [ 0.0004378000000000, 0.0000000000000000, -0.0003057800000000 ] - [ -0.0010042100000000, 0.0000000000000000, 0.0007577400000000 ] - [ -0.0002924400000000, -0.0000576600000000, 0.0002252100000000 ] - [ -0.0002924400000000, 0.0000576600000000, 0.0002252100000000 ] - [ -0.0031749100000000, -0.0023571300000000, -0.0006095000000000 ] - [ -0.0031749100000000, 0.0023571300000000, -0.0006095000000000 ] - [ -0.0010025000000000, 0.0000000000000000, 0.0001680200000000 ] - [ -0.0003037000000000, 0.0000000000000000, -0.0001196900000000 ] - [ 0.0001610800000000, -0.0000183200000000, -0.0000666600000000 ] - [ 0.0001610800000000, 0.0000183200000000, -0.0000666600000000 ] - [ 0.0023206400000000, 0.0005603800000000, -0.0011535100000000 ] - [ 0.0023206400000000, -0.0005603800000000, -0.0011535100000000 ] - [ 0.0014221600000000, 0.0000000000000000, -0.0010025100000000 ] - [ 0.0325704400000000, 0.0000000000000000, -0.0602236400000000 ] - [ 0.0029647600000000, 0.0049085600000000, 0.0010264200000000 ] - [ 0.0029647600000000, -0.0049085600000000, 0.0010264200000000 ] - [ -0.0000345300000000, 0.0011994300000000, 0.0012994200000000 ] - [ -0.0000345300000000, -0.0011994300000000, 0.0012994200000000 ] - [ 0.0003787400000000, 0.0000000000000000, 0.0005575300000000 ] - [ -0.0061439600000000, 0.0000000000000000, 0.0091514900000000 ] - [ -0.0012868200000000, -0.0015062900000000, 0.0000877000000000 ] - [ -0.0012868200000000, 0.0015062900000000, 0.0000877000000000 ] - [ -0.0033281700000000, 0.0138666500000000, -0.0016638400000000 ] - [ -0.0033281700000000, -0.0138666500000000, -0.0016638400000000 ] - [ 0.0030014800000000, 0.0000000000000000, -0.0003686300000000 ] - [ 0.0001549600000000, 0.0000000000000000, 0.0028982400000000 ] - [ -0.0003823500000000, 0.0012741600000000, 0.0014103100000000 ] - [ -0.0003823500000000, -0.0012741600000000, 0.0014103100000000 ] - [ -0.0004588000000000, 0.0000000000000000, -0.0001841900000000 ] - [ -0.0003368400000000, -0.0000110100000000, -0.0000478600000000 ] - [ -0.0003368400000000, 0.0000110100000000, -0.0000478600000000 ] - [ -0.0001888500000000, -0.0000089100000000, -0.0006403700000000 ] - [ -0.0001888500000000, 0.0000089100000000, -0.0006403700000000 ] - [ -0.0000921300000000, 0.0000000000000000, -0.0006266600000000 ] - [ -0.0001950900000000, 0.0000000000000000, -0.0001027500000000 ] - [ -0.0000080600000000, -0.0000112300000000, -0.0000026000000000 ] - [ -0.0000080600000000, 0.0000112300000000, -0.0000026000000000 ] - [ -0.0004680700000000, 0.0000210300000000, -0.0008289800000000 ] - [ -0.0004680700000000, -0.0000210300000000, -0.0008289800000000 ] - [ -0.0000243200000000, 0.0000000000000000, -0.0002819600000000 ] - [ -0.0003509500000000, 0.0000000000000000, 0.0001457500000000 ] - [ -0.0000164400000000, -0.0000225200000000, 0.0002210900000000 ] - [ -0.0000164400000000, 0.0000225200000000, 0.0002210900000000 ] - [ 0.0005461200000000, 0.0000056600000000, 0.0004492200000000 ] - [ 0.0005461200000000, -0.0000056600000000, 0.0004492200000000 ] - [ -0.0001169200000000, 0.0000000000000000, -0.0000405600000000 ] - [ -0.0017601600000000, 0.0000000000000000, -0.0001592800000000 ] - [ -0.0008161900000000, -0.0000414600000000, 0.0000628700000000 ] - [ -0.0008161900000000, 0.0000414600000000, 0.0000628700000000 ] - [ -0.0005976900000000, -0.0001432800000000, 0.0008795500000000 ] - [ -0.0005976900000000, 0.0001432800000000, 0.0008795500000000 ] - [ -0.0001110500000000, 0.0000000000000000, 0.0002282300000000 ] - [ 0.0007198700000000, 0.0000000000000000, -0.0008276800000000 ] - [ 0.0008140100000000, 0.0000465100000000, -0.0008694100000000 ] - [ 0.0008140100000000, -0.0000465100000000, -0.0008694100000000 ] - [ 0.0003269500000000, 0.0001549700000000, 0.0006165700000000 ] - [ 0.0003269500000000, -0.0001549700000000, 0.0006165700000000 ] - [ 0.0004195600000000, 0.0000000000000000, 0.0006168300000000 ] - [ 0.0002332800000000, 0.0000000000000000, 0.0000069600000000 ] - [ 0.0002808100000000, -0.0000346400000000, 0.0000303200000000 ] - [ 0.0002808100000000, 0.0000346400000000, 0.0000303200000000 ] - [ -0.0009000000000000, 0.0000777800000000, -0.0001268000000000 ] - [ -0.0009000000000000, -0.0000777800000000, -0.0001268000000000 ] - [ -0.0008583700000000, 0.0000000000000000, -0.0000915700000000 ] - [ 0.0013748100000000, 0.0000000000000000, -0.0001908300000000 ] - [ 0.0015133600000000, 0.0000018500000000, -0.0001821900000000 ] - [ 0.0015133600000000, -0.0000018500000000, -0.0001821900000000 ] - [ -0.0011235200000000, 0.0000454500000000, 0.0005451400000000 ] - [ -0.0011235200000000, -0.0000454500000000, 0.0005451400000000 ] - [ -0.0011160400000000, 0.0000000000000000, 0.0005022300000000 ]- atom: 88 displacement: [ 0.0020604768976038, 0.0000000000000000, -0.0097854195083523 ] forces: - [ 0.0032660800000000, -0.0001394900000000, 0.0090352700000000 ] - [ 0.0032660800000000, 0.0001394900000000, 0.0090352700000000 ] - [ 0.0004099900000000, 0.0000000000000000, 0.0011380900000000 ] - [ 0.0067040600000000, 0.0000000000000000, -0.0127870000000000 ] - [ 0.0014358600000000, -0.0031234600000000, -0.0018086600000000 ] - [ 0.0014358600000000, 0.0031234600000000, -0.0018086600000000 ] - [ -0.0004225400000000, 0.0042203700000000, 0.0046880200000000 ] - [ -0.0004225400000000, -0.0042203700000000, 0.0046880200000000 ] - [ 0.0017104700000000, 0.0000000000000000, 0.0006226900000000 ] - [ -0.0027093900000000, 0.0000000000000000, 0.0046942200000000 ] - [ -0.0010767900000000, -0.0006316600000000, 0.0010464500000000 ] - [ -0.0010767900000000, 0.0006316600000000, 0.0010464500000000 ] - [ 0.0055521700000000, -0.0004700900000000, -0.0117227400000000 ] - [ 0.0055521700000000, 0.0004700900000000, -0.0117227400000000 ] - [ -0.0013504500000000, 0.0000000000000000, -0.0009427100000000 ] - [ 0.0002538100000000, 0.0000000000000000, -0.0017630200000000 ] - [ 0.0002750800000000, -0.0000161500000000, 0.0003197700000000 ] - [ 0.0002750800000000, 0.0000161500000000, 0.0003197700000000 ] - [ -0.0002444600000000, 0.0000000000000000, -0.0000056300000000 ] - [ -0.0000290200000000, -0.0000369500000000, 0.0000536300000000 ] - [ -0.0000290200000000, 0.0000369500000000, 0.0000536300000000 ] - [ -0.0007012100000000, 0.0000329500000000, -0.0002573700000000 ] - [ -0.0007012100000000, -0.0000329500000000, -0.0002573700000000 ] - [ -0.0004362800000000, 0.0000000000000000, -0.0002110000000000 ] - [ 0.0006260700000000, 0.0000000000000000, -0.0000082200000000 ] - [ 0.0008785200000000, -0.0000470300000000, 0.0000344300000000 ] - [ 0.0008785200000000, 0.0000470300000000, 0.0000344300000000 ] - [ -0.0003407300000000, 0.0000728000000000, -0.0007639700000000 ] - [ -0.0003407300000000, -0.0000728000000000, -0.0007639700000000 ] - [ -0.0006799900000000, 0.0000000000000000, -0.0003757300000000 ] - [ -0.0024104500000000, 0.0000000000000000, -0.0001834800000000 ] - [ -0.0017124000000000, -0.0001024200000000, -0.0001834500000000 ] - [ -0.0017124000000000, 0.0001024200000000, -0.0001834500000000 ] - [ -0.0011086900000000, -0.0000148100000000, 0.0012517700000000 ] - [ -0.0011086900000000, 0.0000148100000000, 0.0012517700000000 ] - [ -0.0006448500000000, 0.0000000000000000, 0.0007452000000000 ] - [ -0.0007634600000000, 0.0000000000000000, -0.0003792300000000 ] - [ 0.0001798200000000, -0.0000423900000000, 0.0002047400000000 ] - [ 0.0001798200000000, 0.0000423900000000, 0.0002047400000000 ] - [ 0.0009311000000000, -0.0006099400000000, 0.0007705300000000 ] - [ 0.0009311000000000, 0.0006099400000000, 0.0007705300000000 ] - [ 0.0000292900000000, 0.0000000000000000, 0.0002102700000000 ] - [ -0.0006692600000000, -0.0005260700000000, 0.0010089400000000 ] - [ -0.0006692600000000, 0.0005260700000000, 0.0010089400000000 ] - [ -0.0000562400000000, 0.0000000000000000, 0.0000749300000000 ] - [ 0.0000453100000000, -0.0000558900000000, 0.0003192600000000 ] - [ 0.0000453100000000, 0.0000558900000000, 0.0003192600000000 ] - [ -0.0000415700000000, 0.0000000000000000, -0.0000434800000000 ] - [ -0.0007734100000000, 0.0001935000000000, -0.0008167000000000 ] - [ -0.0007734100000000, -0.0001935000000000, -0.0008167000000000 ] - [ 0.0000530200000000, 0.0000000000000000, 0.0000568500000000 ] - [ -0.0003479400000000, 0.0000000000000000, -0.0000043700000000 ] - [ -0.0000517100000000, -0.0000179900000000, 0.0001433000000000 ] - [ -0.0000517100000000, 0.0000179900000000, 0.0001433000000000 ] - [ -0.0000310100000000, 0.0000000000000000, -0.0001954200000000 ] - [ 0.0000595800000000, -0.0000223600000000, -0.0002783700000000 ] - [ 0.0000595800000000, 0.0000223600000000, -0.0002783700000000 ] - [ -0.0004350300000000, 0.0000000000000000, -0.0002990800000000 ] - [ -0.0001581800000000, -0.0000091200000000, -0.0001831300000000 ] - [ -0.0001581800000000, 0.0000091200000000, -0.0001831300000000 ] - [ -0.0031206900000000, 0.0122344700000000, -0.0144439100000000 ] - [ -0.0031206900000000, -0.0122344700000000, -0.0144439100000000 ] - [ -0.0005157000000000, 0.0000000000000000, -0.0007127300000000 ] - [ -0.0017869700000000, 0.0000000000000000, 0.0075968100000000 ] - [ -0.0000084200000000, 0.0000531000000000, 0.0004270600000000 ] - [ -0.0000084200000000, -0.0000531000000000, 0.0004270600000000 ] - [ 0.0009933500000000, -0.0001531000000000, -0.0034612600000000 ] - [ 0.0009933500000000, 0.0001531000000000, -0.0034612600000000 ] - [ 0.0002641100000000, 0.0000000000000000, -0.0008846100000000 ] - [ 0.0043830100000000, 0.0000000000000000, -0.0051534200000000 ] - [ 0.0003829600000000, 0.0003196000000000, -0.0003152700000000 ] - [ 0.0003829600000000, -0.0003196000000000, -0.0003152700000000 ] - [ -0.0013232500000000, -0.0053681100000000, -0.0040397700000000 ] - [ -0.0013232500000000, 0.0053681100000000, -0.0040397700000000 ] - [ -0.0002225800000000, 0.0000000000000000, 0.0007659000000000 ] - [ 0.0007221500000000, 0.0000000000000000, -0.0009871500000000 ] - [ 0.0000105100000000, 0.0000596900000000, -0.0004616200000000 ] - [ 0.0000105100000000, -0.0000596900000000, -0.0004616200000000 ] - [ 0.0019524800000000, 0.0023554700000000, 0.0008798600000000 ] - [ 0.0019524800000000, -0.0023554700000000, 0.0008798600000000 ] - [ -0.0002138500000000, 0.0000000000000000, 0.0001170000000000 ] - [ 0.0004848200000000, 0.0000000000000000, 0.0000610500000000 ] - [ 0.0000059100000000, 0.0000197900000000, 0.0000070200000000 ] - [ 0.0000059100000000, -0.0000197900000000, 0.0000070200000000 ] - [ -0.0004015000000000, -0.0005711000000000, -0.0006963500000000 ] - [ -0.0004015000000000, 0.0005711000000000, -0.0006963500000000 ] - [ 0.0004864300000000, 0.0000000000000000, -0.0008487700000000 ] - [ -0.0318582400000000, 0.0000000000000000, 0.0614868500000000 ] - [ -0.0019096600000000, -0.0050052500000000, 0.0002157200000000 ] - [ -0.0019096600000000, 0.0050052500000000, 0.0002157200000000 ] - [ 0.0006856200000000, -0.0012093700000000, -0.0011972100000000 ] - [ 0.0006856200000000, 0.0012093700000000, -0.0011972100000000 ] - [ 0.0002678200000000, 0.0000000000000000, -0.0004555900000000 ] - [ 0.0047149500000000, 0.0000000000000000, -0.0094780000000000 ] - [ -0.0002829100000000, 0.0015129500000000, -0.0001952900000000 ] - [ -0.0002829100000000, -0.0015129500000000, -0.0001952900000000 ] - [ 0.0065654000000000, -0.0138596100000000, 0.0014240000000000 ] - [ 0.0065654000000000, 0.0138596100000000, 0.0014240000000000 ] - [ 0.0002527800000000, 0.0000000000000000, 0.0000523000000000 ] - [ -0.0022405600000000, 0.0000000000000000, -0.0019291200000000 ] - [ -0.0016993300000000, -0.0012473600000000, -0.0004116700000000 ] - [ -0.0016993300000000, 0.0012473600000000, -0.0004116700000000 ] - [ -0.0000447100000000, 0.0000000000000000, 0.0003788500000000 ] - [ -0.0001751200000000, 0.0000116100000000, 0.0002237400000000 ] - [ -0.0001751200000000, -0.0000116100000000, 0.0002237400000000 ] - [ 0.0001949500000000, 0.0000084000000000, -0.0004607300000000 ] - [ 0.0001949500000000, -0.0000084000000000, -0.0004607300000000 ] - [ 0.0001011700000000, 0.0000000000000000, -0.0004674300000000 ] - [ 0.0003426800000000, 0.0000000000000000, 0.0000765700000000 ] - [ 0.0001447400000000, 0.0000115100000000, -0.0000173700000000 ] - [ 0.0001447400000000, -0.0000115100000000, -0.0000173700000000 ] - [ 0.0008312600000000, -0.0000213700000000, 0.0006555100000000 ] - [ 0.0008312600000000, 0.0000213700000000, 0.0006555100000000 ] - [ 0.0003916900000000, 0.0000000000000000, 0.0001061900000000 ] - [ 0.0005702100000000, 0.0000000000000000, 0.0003066400000000 ] - [ 0.0002371300000000, 0.0000229600000000, 0.0002302000000000 ] - [ 0.0002371300000000, -0.0000229600000000, 0.0002302000000000 ] - [ -0.0008320200000000, -0.0000062700000000, -0.0006889100000000 ] - [ -0.0008320200000000, 0.0000062700000000, -0.0006889100000000 ] - [ -0.0001630600000000, 0.0000000000000000, -0.0001972700000000 ] - [ 0.0005432100000000, 0.0000000000000000, 0.0004423700000000 ] - [ -0.0004093300000000, 0.0000422900000000, 0.0002221400000000 ] - [ -0.0004093300000000, -0.0000422900000000, 0.0002221400000000 ] - [ 0.0007636200000000, 0.0001415200000000, -0.0009446200000000 ] - [ 0.0007636200000000, -0.0001415200000000, -0.0009446200000000 ] - [ 0.0002787300000000, 0.0000000000000000, -0.0002902400000000 ] - [ 0.0011930500000000, 0.0000000000000000, -0.0010223400000000 ] - [ 0.0011008300000000, -0.0000435600000000, -0.0009810500000000 ] - [ 0.0011008300000000, 0.0000435600000000, -0.0009810500000000 ] - [ 0.0007700300000000, -0.0001600100000000, 0.0006095100000000 ] - [ 0.0007700300000000, 0.0001600100000000, 0.0006095100000000 ] - [ 0.0006754900000000, 0.0000000000000000, 0.0006086700000000 ] - [ 0.0004161300000000, 0.0000000000000000, 0.0000896700000000 ] - [ 0.0003687900000000, 0.0000356900000000, 0.0000660500000000 ] - [ 0.0003687900000000, -0.0000356900000000, 0.0000660500000000 ] - [ -0.0006689100000000, -0.0000813600000000, 0.0000096900000000 ] - [ -0.0006689100000000, 0.0000813600000000, 0.0000096900000000 ] - [ -0.0007098100000000, 0.0000000000000000, -0.0000256900000000 ] - [ 0.0018969000000000, 0.0000000000000000, -0.0001298000000000 ] - [ 0.0017556900000000, -0.0000032000000000, -0.0001397900000000 ] - [ 0.0017556900000000, 0.0000032000000000, -0.0001397900000000 ] - [ -0.0009609800000000, -0.0000435500000000, 0.0004500300000000 ] - [ -0.0009609800000000, 0.0000435500000000, 0.0004500300000000 ] - [ -0.0009669900000000, 0.0000000000000000, 0.0004945100000000 ]- atom: 91 displacement: [ 0.0099999983408567, 0.0000000000000000, 0.0000057604567923 ] forces: - [ 0.0225782200000000, 0.0000000000000000, -0.0068180800000000 ] - [ 0.0034223800000000, 0.0010819400000000, 0.0019234800000000 ] - [ 0.0034223800000000, -0.0010819400000000, 0.0019234800000000 ] - [ 0.0084831500000000, 0.0022028900000000, 0.0022323600000000 ] - [ 0.0020660000000000, 0.0000000000000000, 0.0004216800000000 ] - [ 0.0084831500000000, -0.0022028900000000, 0.0022323600000000 ] - [ 0.0167635500000000, 0.0000000000000000, 0.0136380000000000 ] - [ 0.0038903400000000, 0.0067412000000000, -0.0019331400000000 ] - [ 0.0038903400000000, -0.0067412000000000, -0.0019331400000000 ] - [ 0.0230695700000000, 0.0009309700000000, 0.0002083800000000 ] - [ -0.0012725500000000, 0.0000000000000000, -0.0011984900000000 ] - [ 0.0230695700000000, -0.0009309700000000, 0.0002083800000000 ] - [ 0.0004948700000000, 0.0000000000000000, 0.0053491200000000 ] - [ -0.0007533200000000, 0.0017400600000000, 0.0012519700000000 ] - [ -0.0007533200000000, -0.0017400600000000, 0.0012519700000000 ] - [ 0.0018517100000000, -0.0016965000000000, 0.0076256800000000 ] - [ -0.0003315000000000, 0.0000000000000000, 0.0018244100000000 ] - [ 0.0018517100000000, 0.0016965000000000, 0.0076256800000000 ] - [ -0.0014663300000000, 0.0004008000000000, -0.0003141100000000 ] - [ -0.0007212800000000, 0.0000000000000000, -0.0001741100000000 ] - [ -0.0014663300000000, -0.0004008000000000, -0.0003141100000000 ] - [ -0.0021631600000000, 0.0000000000000000, -0.0009834700000000 ] - [ -0.0009978400000000, 0.0000886700000000, -0.0004353000000000 ] - [ -0.0009978400000000, -0.0000886700000000, -0.0004353000000000 ] - [ -0.0009165800000000, 0.0000826500000000, 0.0002767400000000 ] - [ 0.0001756600000000, 0.0000000000000000, 0.0000978800000000 ] - [ -0.0009165800000000, -0.0000826500000000, 0.0002767400000000 ] - [ -0.0033219000000000, 0.0000000000000000, 0.0001763400000000 ] - [ -0.0013701400000000, 0.0002840900000000, -0.0000781800000000 ] - [ -0.0013701400000000, -0.0002840900000000, -0.0000781800000000 ] - [ -0.0032350100000000, -0.0000549300000000, -0.0009920800000000 ] - [ -0.0022609500000000, 0.0000000000000000, -0.0004876100000000 ] - [ -0.0032350100000000, 0.0000549300000000, -0.0009920800000000 ] - [ -0.0048263100000000, 0.0000000000000000, -0.0001516900000000 ] - [ -0.0009443100000000, 0.0005959700000000, 0.0002980200000000 ] - [ -0.0009443100000000, -0.0005959700000000, 0.0002980200000000 ] - [ -0.0007890400000000, -0.0001954900000000, -0.0007012700000000 ] - [ 0.0000918900000000, 0.0000000000000000, 0.0001180200000000 ] - [ -0.0007890400000000, 0.0001954900000000, -0.0007012700000000 ] - [ -0.0022665600000000, 0.0000000000000000, -0.0033813100000000 ] - [ -0.0002308200000000, 0.0001244400000000, -0.0000042800000000 ] - [ -0.0002308200000000, -0.0001244400000000, -0.0000042800000000 ] - [ 0.0000381200000000, 0.0000000000000000, -0.0001588900000000 ] - [ 0.0000623600000000, 0.0000673300000000, -0.0002344600000000 ] - [ 0.0000623600000000, -0.0000673300000000, -0.0002344600000000 ] - [ -0.0046822800000000, 0.0000000000000000, -0.0047595300000000 ] - [ -0.0001186200000000, 0.0001370200000000, -0.0001928300000000 ] - [ -0.0001186200000000, -0.0001370200000000, -0.0001928300000000 ] - [ -0.0007700100000000, 0.0000000000000000, -0.0000195300000000 ] - [ 0.0001536200000000, 0.0000653100000000, 0.0002511500000000 ] - [ 0.0001536200000000, -0.0000653100000000, 0.0002511500000000 ] - [ -0.0016728400000000, -0.0002552700000000, -0.0009999400000000 ] - [ -0.0003769700000000, 0.0000000000000000, -0.0001224900000000 ] - [ -0.0016728400000000, 0.0002552700000000, -0.0009999400000000 ] - [ -0.0000404600000000, -0.0000084800000000, 0.0000336800000000 ] - [ -0.0000109100000000, 0.0000000000000000, -0.0000519000000000 ] - [ -0.0000404600000000, 0.0000084800000000, 0.0000336800000000 ] - [ -0.0008009300000000, -0.0000373300000000, -0.0004186700000000 ] - [ -0.0004402500000000, 0.0000000000000000, -0.0003645800000000 ] - [ -0.0008009300000000, 0.0000373300000000, -0.0004186700000000 ] - [ 0.0004385000000000, 0.0000000000000000, 0.0023321500000000 ] - [ -0.0010973400000000, -0.0002195600000000, -0.0016696100000000 ] - [ -0.0010973400000000, 0.0002195600000000, -0.0016696100000000 ] - [ -0.0016104700000000, 0.0000434800000000, -0.0034357000000000 ] - [ -0.0005048500000000, 0.0000000000000000, -0.0017633500000000 ] - [ -0.0016104700000000, -0.0000434800000000, -0.0034357000000000 ] - [ 0.0179126300000000, 0.0000000000000000, 0.0203513200000000 ] - [ -0.0013238200000000, -0.0004394400000000, 0.0010903600000000 ] - [ -0.0013238200000000, 0.0004394400000000, 0.0010903600000000 ] - [ -0.0040085100000000, 0.0034903800000000, 0.0075068100000000 ] - [ -0.0006587900000000, 0.0000000000000000, 0.0011042000000000 ] - [ -0.0040085100000000, -0.0034903800000000, 0.0075068100000000 ] - [ 0.0155514200000000, 0.0000000000000000, -0.0098454900000000 ] - [ 0.0000563300000000, -0.0006578600000000, 0.0001276300000000 ] - [ 0.0000563300000000, 0.0006578600000000, 0.0001276300000000 ] - [ 0.0047152100000000, 0.0075179300000000, -0.0050338000000000 ] - [ 0.0002229300000000, 0.0000000000000000, -0.0005521000000000 ] - [ 0.0047152100000000, -0.0075179300000000, -0.0050338000000000 ] - [ 0.0002395400000000, 0.0000000000000000, -0.0004520400000000 ] - [ -0.0006862400000000, -0.0001456500000000, 0.0001283300000000 ] - [ -0.0006862400000000, 0.0001456500000000, 0.0001283300000000 ] - [ 0.0006427300000000, 0.0000324500000000, -0.0004260100000000 ] - [ 0.0004207300000000, 0.0000000000000000, -0.0001297000000000 ] - [ 0.0006427300000000, -0.0000324500000000, -0.0004260100000000 ] - [ -0.0012414800000000, 0.0000000000000000, -0.0070267200000000 ] - [ -0.0005661500000000, 0.0010418400000000, -0.0017244200000000 ] - [ -0.0005661500000000, -0.0010418400000000, -0.0017244200000000 ] - [ -0.0009644800000000, -0.0025819800000000, -0.0000698600000000 ] - [ -0.0002925800000000, 0.0000000000000000, 0.0004928000000000 ] - [ -0.0009644800000000, 0.0025819800000000, -0.0000698600000000 ] - [ -0.1152653000000000, 0.0000000000000000, -0.0025264800000000 ] - [ -0.0050145800000000, 0.0079073100000000, -0.0012802500000000 ] - [ -0.0050145800000000, -0.0079073100000000, -0.0012802500000000 ] - [ 0.0026183900000000, -0.0215140900000000, -0.0058055400000000 ] - [ -0.0030749000000000, 0.0000000000000000, -0.0003075900000000 ] - [ 0.0026183900000000, 0.0215140900000000, -0.0058055400000000 ] - [ -0.0000712600000000, 0.0000000000000000, -0.0063961000000000 ] - [ 0.0004371000000000, -0.0005404400000000, -0.0007875800000000 ] - [ 0.0004371000000000, 0.0005404400000000, -0.0007875800000000 ] - [ -0.0056821700000000, -0.0024395400000000, -0.0004139600000000 ] - [ -0.0017733400000000, 0.0000000000000000, -0.0004084400000000 ] - [ -0.0056821700000000, 0.0024395400000000, -0.0004139600000000 ] - [ 0.0002893400000000, -0.0000255500000000, 0.0010327900000000 ] - [ 0.0000452200000000, 0.0000000000000000, 0.0006269900000000 ] - [ 0.0002893400000000, 0.0000255500000000, 0.0010327900000000 ] - [ 0.0010287700000000, 0.0000000000000000, 0.0009996700000000 ] - [ 0.0002793800000000, -0.0000713300000000, -0.0000247900000000 ] - [ 0.0002793800000000, 0.0000713300000000, -0.0000247900000000 ] - [ 0.0009953100000000, -0.0000147300000000, -0.0000597700000000 ] - [ 0.0005584300000000, 0.0000000000000000, 0.0000084600000000 ] - [ 0.0009953100000000, 0.0000147300000000, -0.0000597700000000 ] - [ 0.0013995200000000, 0.0000000000000000, -0.0001229200000000 ] - [ 0.0005467900000000, -0.0000712200000000, -0.0001646400000000 ] - [ 0.0005467900000000, 0.0000712200000000, -0.0001646400000000 ] - [ 0.0020964200000000, 0.0001386600000000, 0.0008764700000000 ] - [ 0.0007717500000000, 0.0000000000000000, 0.0003813000000000 ] - [ 0.0020964200000000, -0.0001386600000000, 0.0008764700000000 ] - [ 0.0028610900000000, 0.0000000000000000, 0.0008878900000000 ] - [ 0.0003543000000000, -0.0001480300000000, -0.0001167000000000 ] - [ 0.0003543000000000, 0.0001480300000000, -0.0001167000000000 ] - [ 0.0007778800000000, 0.0000903000000000, 0.0004141800000000 ] - [ -0.0000905700000000, 0.0000000000000000, 0.0001307600000000 ] - [ 0.0007778800000000, -0.0000903000000000, 0.0004141800000000 ] - [ 0.0055711100000000, 0.0000000000000000, 0.0020835100000000 ] - [ 0.0003187200000000, -0.0001721400000000, -0.0000406300000000 ] - [ 0.0003187200000000, 0.0001721400000000, -0.0000406300000000 ] - [ 0.0017800100000000, -0.0009377700000000, -0.0008975400000000 ] - [ 0.0013834600000000, 0.0000000000000000, -0.0009150700000000 ] - [ 0.0017800100000000, 0.0009377700000000, -0.0008975400000000 ] - [ 0.0014661500000000, 0.0000000000000000, 0.0007135400000000 ] - [ 0.0010309700000000, 0.0001460400000000, 0.0006693700000000 ] - [ 0.0010309700000000, -0.0001460400000000, 0.0006693700000000 ] - [ 0.0010270300000000, -0.0004600500000000, 0.0001083500000000 ] - [ 0.0007008900000000, 0.0000000000000000, 0.0000785200000000 ] - [ 0.0010270300000000, 0.0004600500000000, 0.0001083500000000 ] - [ 0.0001013000000000, 0.0000000000000000, 0.0001033800000000 ] - [ -0.0003575400000000, 0.0000616400000000, -0.0000007500000000 ] - [ -0.0003575400000000, -0.0000616400000000, -0.0000007500000000 ] - [ 0.0022564800000000, -0.0002347400000000, -0.0000346200000000 ] - [ 0.0019718100000000, 0.0000000000000000, -0.0001047700000000 ] - [ 0.0022564800000000, 0.0002347400000000, -0.0000346200000000 ] - [ -0.0000079500000000, 0.0000000000000000, 0.0007010200000000 ] - [ -0.0007219500000000, -0.0001397000000000, 0.0005354200000000 ] - [ -0.0007219500000000, 0.0001397000000000, 0.0005354200000000 ]- atom: 91 displacement: [ -0.0099999983408567, 0.0000000000000000, -0.0000057604567923 ] forces: - [ -0.0225206100000000, 0.0000000000000000, 0.0067414300000000 ] - [ -0.0030815000000000, -0.0010384500000000, -0.0017507400000000 ] - [ -0.0030815000000000, 0.0010384500000000, -0.0017507400000000 ] - [ -0.0088527800000000, -0.0022027900000000, -0.0024866200000000 ] - [ -0.0023940800000000, 0.0000000000000000, -0.0006779400000000 ] - [ -0.0088527800000000, 0.0022027900000000, -0.0024866200000000 ] - [ -0.0172635500000000, 0.0000000000000000, -0.0130021500000000 ] - [ -0.0018366800000000, -0.0067751800000000, 0.0020379700000000 ] - [ -0.0018366800000000, 0.0067751800000000, 0.0020379700000000 ] - [ -0.0245790500000000, -0.0007881000000000, -0.0006580700000000 ] - [ 0.0000005900000000, 0.0000000000000000, 0.0007545800000000 ] - [ -0.0245790500000000, 0.0007881000000000, -0.0006580700000000 ] - [ -0.0033845100000000, 0.0000000000000000, -0.0057504500000000 ] - [ -0.0020986600000000, -0.0017501700000000, -0.0015293300000000 ] - [ -0.0020986600000000, 0.0017501700000000, -0.0015293300000000 ] - [ -0.0025129300000000, 0.0017195700000000, -0.0064727200000000 ] - [ -0.0003653000000000, 0.0000000000000000, -0.0006774300000000 ] - [ -0.0025129300000000, -0.0017195700000000, -0.0064727200000000 ] - [ 0.0018436400000000, -0.0004071400000000, 0.0005064400000000 ] - [ 0.0010944500000000, 0.0000000000000000, 0.0003678100000000 ] - [ 0.0018436400000000, 0.0004071400000000, 0.0005064400000000 ] - [ 0.0018610100000000, 0.0000000000000000, 0.0007422300000000 ] - [ 0.0006831800000000, -0.0000919800000000, 0.0001863700000000 ] - [ 0.0006831800000000, 0.0000919800000000, 0.0001863700000000 ] - [ 0.0029980000000000, -0.0000868200000000, -0.0001961100000000 ] - [ 0.0019037600000000, 0.0000000000000000, -0.0000186500000000 ] - [ 0.0029980000000000, 0.0000868200000000, -0.0001961100000000 ] - [ 0.0020677300000000, 0.0000000000000000, -0.0006384100000000 ] - [ 0.0000933000000000, -0.0002893900000000, -0.0003773600000000 ] - [ 0.0000933000000000, 0.0002893900000000, -0.0003773600000000 ] - [ 0.0004093900000000, 0.0000517200000000, 0.0007374500000000 ] - [ -0.0005698200000000, 0.0000000000000000, 0.0002306500000000 ] - [ 0.0004093900000000, -0.0000517200000000, 0.0007374500000000 ] - [ 0.0041659600000000, 0.0000000000000000, 0.0013118600000000 ] - [ 0.0002299700000000, -0.0006052300000000, 0.0008572300000000 ] - [ 0.0002299700000000, 0.0006052300000000, 0.0008572300000000 ] - [ 0.0014489900000000, 0.0001924800000000, 0.0013679600000000 ] - [ 0.0005580900000000, 0.0000000000000000, 0.0005419000000000 ] - [ 0.0014489900000000, -0.0001924800000000, 0.0013679600000000 ] - [ 0.0022980400000000, 0.0000000000000000, 0.0037636800000000 ] - [ 0.0002490700000000, -0.0001261100000000, 0.0003383200000000 ] - [ 0.0002490700000000, 0.0001261100000000, 0.0003383200000000 ] - [ 0.0000789300000000, 0.0000000000000000, -0.0002798600000000 ] - [ 0.0000581100000000, -0.0000679300000000, -0.0002116100000000 ] - [ 0.0000581100000000, 0.0000679300000000, -0.0002116100000000 ] - [ 0.0045327400000000, 0.0000000000000000, 0.0044846800000000 ] - [ -0.0001105700000000, -0.0001385600000000, -0.0001646200000000 ] - [ -0.0001105700000000, 0.0001385600000000, -0.0001646200000000 ] - [ 0.0014203100000000, 0.0000000000000000, 0.0006725300000000 ] - [ 0.0004888500000000, -0.0000660900000000, 0.0004021900000000 ] - [ 0.0004888500000000, 0.0000660900000000, 0.0004021900000000 ] - [ 0.0016981700000000, 0.0002559200000000, 0.0013390200000000 ] - [ 0.0004013700000000, 0.0000000000000000, 0.0004604300000000 ] - [ 0.0016981700000000, -0.0002559200000000, 0.0013390200000000 ] - [ 0.0001636200000000, 0.0000086300000000, -0.0004850400000000 ] - [ 0.0001344700000000, 0.0000000000000000, -0.0004005400000000 ] - [ 0.0001636200000000, -0.0000086300000000, -0.0004850400000000 ] - [ 0.0005821800000000, 0.0000371000000000, 0.0000691900000000 ] - [ 0.0002210300000000, 0.0000000000000000, 0.0000139100000000 ] - [ 0.0005821800000000, -0.0000371000000000, 0.0000691900000000 ] - [ -0.0008892400000000, 0.0000000000000000, -0.0020017300000000 ] - [ 0.0005994700000000, 0.0002176100000000, 0.0018822900000000 ] - [ 0.0005994700000000, -0.0002176100000000, 0.0018822900000000 ] - [ 0.0016218300000000, -0.0000445800000000, 0.0023560100000000 ] - [ 0.0005103800000000, 0.0000000000000000, 0.0006596200000000 ] - [ 0.0016218300000000, 0.0000445800000000, 0.0023560100000000 ] - [ -0.0181509200000000, 0.0000000000000000, -0.0209181000000000 ] - [ 0.0014826200000000, 0.0004402300000000, -0.0011284200000000 ] - [ 0.0014826200000000, -0.0004402300000000, -0.0011284200000000 ] - [ 0.0043629500000000, -0.0035139500000000, -0.0077230300000000 ] - [ 0.0010178200000000, 0.0000000000000000, -0.0012896400000000 ] - [ 0.0043629500000000, 0.0035139500000000, -0.0077230300000000 ] - [ -0.0156613100000000, 0.0000000000000000, 0.0104800600000000 ] - [ 0.0001688900000000, 0.0006612700000000, 0.0003250300000000 ] - [ 0.0001688900000000, -0.0006612700000000, 0.0003250300000000 ] - [ -0.0049267100000000, -0.0073913900000000, 0.0047390100000000 ] - [ -0.0005137100000000, 0.0000000000000000, 0.0003155400000000 ] - [ -0.0049267100000000, 0.0073913900000000, 0.0047390100000000 ] - [ -0.0014579500000000, 0.0000000000000000, 0.0007438000000000 ] - [ -0.0005327800000000, 0.0001469100000000, 0.0001586700000000 ] - [ -0.0005327800000000, -0.0001469100000000, 0.0001586700000000 ] - [ -0.0004892800000000, -0.0000316200000000, 0.0003668300000000 ] - [ -0.0002624300000000, 0.0000000000000000, 0.0000706200000000 ] - [ -0.0004892800000000, 0.0000316200000000, 0.0003668300000000 ] - [ 0.0031569100000000, 0.0000000000000000, 0.0051760900000000 ] - [ 0.0024696600000000, -0.0010459500000000, -0.0001246200000000 ] - [ 0.0024696600000000, 0.0010459500000000, -0.0001246200000000 ] - [ 0.0020742000000000, 0.0025919100000000, 0.0013041600000000 ] - [ 0.0013936900000000, 0.0000000000000000, 0.0007339700000000 ] - [ 0.0020742000000000, -0.0025919100000000, 0.0013041600000000 ] - [ 0.1196552900000000, 0.0000000000000000, 0.0022843100000000 ] - [ 0.0057107300000000, -0.0079230000000000, 0.0013844200000000 ] - [ 0.0057107300000000, 0.0079230000000000, 0.0013844200000000 ] - [ -0.0041833100000000, 0.0217741700000000, 0.0057693400000000 ] - [ 0.0015200100000000, 0.0000000000000000, 0.0001909200000000 ] - [ -0.0041833100000000, -0.0217741700000000, 0.0057693400000000 ] - [ 0.0033587500000000, 0.0000000000000000, 0.0061365100000000 ] - [ 0.0028392700000000, 0.0005466000000000, 0.0004696100000000 ] - [ 0.0028392700000000, -0.0005466000000000, 0.0004696100000000 ] - [ 0.0036139800000000, 0.0023113100000000, 0.0015142800000000 ] - [ -0.0003185100000000, 0.0000000000000000, 0.0014078000000000 ] - [ 0.0036139800000000, -0.0023113100000000, 0.0015142800000000 ] - [ -0.0008045600000000, 0.0000266400000000, -0.0008619700000000 ] - [ -0.0005608400000000, 0.0000000000000000, -0.0004551500000000 ] - [ -0.0008045600000000, -0.0000266400000000, -0.0008619700000000 ] - [ -0.0010360900000000, 0.0000000000000000, -0.0021219100000000 ] - [ -0.0002735400000000, 0.0000724600000000, -0.0010739900000000 ] - [ -0.0002735400000000, -0.0000724600000000, -0.0010739900000000 ] - [ -0.0008640500000000, 0.0000156300000000, 0.0000357200000000 ] - [ -0.0004276800000000, 0.0000000000000000, -0.0000268200000000 ] - [ -0.0008640500000000, -0.0000156300000000, 0.0000357200000000 ] - [ -0.0010495400000000, 0.0000000000000000, -0.0000467500000000 ] - [ -0.0001852600000000, 0.0000725200000000, -0.0000117300000000 ] - [ -0.0001852600000000, -0.0000725200000000, -0.0000117300000000 ] - [ -0.0018860000000000, -0.0001379900000000, -0.0004263100000000 ] - [ -0.0005571800000000, 0.0000000000000000, 0.0000677000000000 ] - [ -0.0018860000000000, 0.0001379900000000, -0.0004263100000000 ] - [ -0.0031757800000000, 0.0000000000000000, -0.0011392700000000 ] - [ -0.0006382800000000, 0.0001504100000000, -0.0001214600000000 ] - [ -0.0006382800000000, -0.0001504100000000, -0.0001214600000000 ] - [ -0.0020193800000000, -0.0000889900000000, -0.0001315400000000 ] - [ -0.0011443700000000, 0.0000000000000000, 0.0001552900000000 ] - [ -0.0020193800000000, 0.0000889900000000, -0.0001315400000000 ] - [ -0.0054810700000000, 0.0000000000000000, -0.0021878100000000 ] - [ -0.0001475000000000, 0.0001742100000000, -0.0000184800000000 ] - [ -0.0001475000000000, -0.0001742100000000, -0.0000184800000000 ] - [ 0.0001271400000000, 0.0009525000000000, -0.0009528800000000 ] - [ 0.0005292400000000, 0.0000000000000000, -0.0009352100000000 ] - [ 0.0001271400000000, -0.0009525000000000, -0.0009528800000000 ] - [ -0.0003793600000000, 0.0000000000000000, 0.0005122400000000 ] - [ 0.0000614800000000, -0.0001448200000000, 0.0005550400000000 ] - [ 0.0000614800000000, 0.0001448200000000, 0.0005550400000000 ] - [ -0.0003834500000000, 0.0004679500000000, -0.0000138700000000 ] - [ -0.0000539300000000, 0.0000000000000000, 0.0000189500000000 ] - [ -0.0003834500000000, -0.0004679500000000, -0.0000138700000000 ] - [ -0.0016772300000000, 0.0000000000000000, -0.0002230800000000 ] - [ -0.0012139400000000, -0.0000577300000000, -0.0001165000000000 ] - [ -0.0012139400000000, 0.0000577300000000, -0.0001165000000000 ] - [ 0.0010081000000000, 0.0002373000000000, -0.0002874300000000 ] - [ 0.0012947000000000, 0.0000000000000000, -0.0002179200000000 ] - [ 0.0010081000000000, -0.0002373000000000, -0.0002874300000000 ] - [ -0.0020869500000000, 0.0000000000000000, 0.0002917100000000 ] - [ -0.0013632400000000, 0.0001409300000000, 0.0004608700000000 ] - [ -0.0013632400000000, -0.0001409300000000, 0.0004608700000000 ]- atom: 91 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0001921100000000, 0.0236553000000000, -0.0002934400000000 ] - [ 0.0014832900000000, -0.0093822000000000, 0.0045534500000000 ] - [ -0.0010742900000000, -0.0094216800000000, -0.0043232200000000 ] - [ 0.0114796700000000, 0.0029382600000000, -0.0067179600000000 ] - [ -0.0001320600000000, -0.0059183900000000, -0.0001272300000000 ] - [ -0.0116067300000000, 0.0028277600000000, 0.0064727200000000 ] - [ 0.0007357400000000, 0.0242164800000000, 0.0002584200000000 ] - [ 0.0063011400000000, -0.0105932600000000, -0.0014091800000000 ] - [ -0.0041749200000000, -0.0106596300000000, 0.0014793800000000 ] - [ 0.0133423800000000, 0.0463622000000000, 0.0076605900000000 ] - [ -0.0006454400000000, -0.0192354400000000, -0.0002306800000000 ] - [ -0.0132495500000000, 0.0418607200000000, -0.0075337400000000 ] - [ -0.0014218200000000, 0.0059978300000000, -0.0001324100000000 ] - [ -0.0000293100000000, -0.0028699100000000, 0.0003709200000000 ] - [ -0.0027981200000000, -0.0029255700000000, -0.0006176100000000 ] - [ -0.0009353400000000, 0.0037344400000000, 0.0122400800000000 ] - [ -0.0003510200000000, -0.0083158000000000, 0.0005938200000000 ] - [ 0.0003151300000000, 0.0036273900000000, -0.0109295700000000 ] - [ -0.0009767600000000, 0.0004475800000000, -0.0002251300000000 ] - [ 0.0001748400000000, -0.0008844600000000, 0.0000925800000000 ] - [ 0.0013108400000000, 0.0004379000000000, 0.0004041900000000 ] - [ -0.0001786100000000, 0.0011242300000000, -0.0001327100000000 ] - [ -0.0001194600000000, -0.0005599300000000, -0.0000991800000000 ] - [ -0.0002121500000000, -0.0005625600000000, -0.0001541200000000 ] - [ -0.0014540800000000, 0.0006540200000000, 0.0001111700000000 ] - [ 0.0010258200000000, -0.0012959000000000, 0.0000404000000000 ] - [ 0.0034900800000000, 0.0006496900000000, -0.0000253100000000 ] - [ -0.0006649800000000, 0.0009467200000000, -0.0002246300000000 ] - [ -0.0002392300000000, -0.0004697400000000, -0.0001509700000000 ] - [ -0.0010475200000000, -0.0004767100000000, -0.0002996200000000 ] - [ -0.0047235000000000, 0.0008780100000000, -0.0008953400000000 ] - [ -0.0014307600000000, -0.0017498600000000, -0.0001333400000000 ] - [ 0.0018463200000000, 0.0008739000000000, 0.0006254700000000 ] - [ -0.0004006800000000, 0.0009873800000000, 0.0005703600000000 ] - [ 0.0006995000000000, -0.0004885300000000, 0.0006276600000000 ] - [ -0.0014167300000000, -0.0005019900000000, 0.0005216200000000 ] - [ -0.0041225100000000, 0.0004433600000000, -0.0031260100000000 ] - [ 0.0003182800000000, -0.0003915500000000, 0.0003243400000000 ] - [ 0.0047272000000000, 0.0004369600000000, 0.0037544100000000 ] - [ -0.0000162200000000, 0.0003143800000000, 0.0001379200000000 ] - [ 0.0008051300000000, -0.0000235300000000, 0.0008373700000000 ] - [ -0.0007839000000000, -0.0000260900000000, -0.0005003700000000 ] - [ 0.0000583900000000, 0.0000907300000000, -0.0002189700000000 ] - [ 0.0002002000000000, -0.0000522100000000, -0.0004928400000000 ] - [ -0.0000781100000000, -0.0000541700000000, 0.0000434800000000 ] - [ -0.0001558100000000, -0.0001045700000000, -0.0002171000000000 ] - [ 0.0010082600000000, -0.0000928600000000, 0.0007253700000000 ] - [ -0.0012275200000000, -0.0000965800000000, -0.0010752300000000 ] - [ 0.0003085300000000, 0.0000948100000000, 0.0003209100000000 ] - [ 0.0007369500000000, -0.0000413400000000, 0.0006200000000000 ] - [ -0.0000943900000000, -0.0000429400000000, 0.0000344900000000 ] - [ -0.0037468500000000, 0.0002916600000000, -0.0029213500000000 ] - [ 0.0000042800000000, -0.0003957600000000, 0.0001632000000000 ] - [ 0.0037297400000000, 0.0002863700000000, 0.0032211500000000 ] - [ -0.0001699000000000, 0.0001029600000000, 0.0004478100000000 ] - [ 0.0000604400000000, -0.0002218800000000, -0.0002230900000000 ] - [ 0.0002916400000000, 0.0001025700000000, -0.0008953900000000 ] - [ -0.0015078500000000, 0.0001233800000000, -0.0007675100000000 ] - [ -0.0001158000000000, -0.0002156500000000, -0.0001789500000000 ] - [ 0.0012723300000000, 0.0001229100000000, 0.0004126500000000 ] - [ -0.0001970500000000, -0.0011136300000000, 0.0002419300000000 ] - [ -0.0015920100000000, 0.0008948100000000, -0.0031813800000000 ] - [ 0.0010671500000000, 0.0009015900000000, 0.0033324200000000 ] - [ -0.0003545200000000, -0.0006697700000000, 0.0002931000000000 ] - [ -0.0000022100000000, 0.0013894600000000, -0.0005622700000000 ] - [ 0.0003359900000000, -0.0006507800000000, -0.0014097600000000 ] - [ 0.0002026200000000, -0.0049333000000000, 0.0001034300000000 ] - [ -0.0016475700000000, 0.0009028600000000, -0.0016050400000000 ] - [ 0.0017651100000000, 0.0009114700000000, 0.0015743500000000 ] - [ -0.0030698700000000, 0.0034721500000000, 0.0204747900000000 ] - [ 0.0001697400000000, 0.0020300300000000, -0.0000699600000000 ] - [ 0.0033600900000000, 0.0034946900000000, -0.0203059500000000 ] - [ 0.0002369900000000, -0.0003713400000000, 0.0001437600000000 ] - [ -0.0022607900000000, 0.0009714200000000, 0.0011545900000000 ] - [ 0.0024622900000000, 0.0009789800000000, -0.0006946400000000 ] - [ 0.0161815200000000, 0.0017919500000000, -0.0132328800000000 ] - [ -0.0001315500000000, 0.0020025100000000, -0.0001298300000000 ] - [ -0.0161644500000000, 0.0018193100000000, 0.0127481300000000 ] - [ -0.0005929100000000, -0.0003937500000000, 0.0001376000000000 ] - [ -0.0015047500000000, 0.0001782200000000, 0.0002123000000000 ] - [ 0.0002779300000000, 0.0001824500000000, 0.0000756700000000 ] - [ 0.0025225300000000, -0.0003610100000000, -0.0010340400000000 ] - [ 0.0000858500000000, 0.0006209600000000, -0.0000302900000000 ] - [ -0.0023569300000000, -0.0003566200000000, 0.0009634200000000 ] - [ 0.0008609100000000, -0.0101193700000000, -0.0008699300000000 ] - [ 0.0017108300000000, 0.0057301800000000, -0.0021584600000000 ] - [ 0.0001796700000000, 0.0057323700000000, 0.0002968400000000 ] - [ -0.0022782700000000, -0.0021956500000000, 0.0012540200000000 ] - [ 0.0005382800000000, 0.0044648700000000, 0.0006135200000000 ] - [ 0.0033349600000000, -0.0020983800000000, -0.0000257200000000 ] - [ -0.0008926500000000, -0.2215638200000000, -0.0005155700000000 ] - [ -0.0076366200000000, 0.0239392700000000, -0.0032185700000000 ] - [ 0.0081892900000000, 0.0237292900000000, 0.0032860000000000 ] - [ -0.0207425700000000, 0.0172250600000000, 0.0077624000000000 ] - [ -0.0008019700000000, 0.0101018100000000, -0.0000595500000000 ] - [ 0.0188741100000000, 0.0171905800000000, -0.0077574700000000 ] - [ 0.0016370400000000, -0.0067605600000000, -0.0002400600000000 ] - [ 0.0006135700000000, 0.0041557400000000, 0.0010665300000000 ] - [ 0.0026325900000000, 0.0041638700000000, -0.0013871500000000 ] - [ -0.0036875800000000, 0.0137745500000000, -0.0193197500000000 ] - [ -0.0010505000000000, 0.0086931800000000, 0.0004859000000000 ] - [ 0.0015420200000000, 0.0137269500000000, 0.0200522300000000 ] - [ 0.0003661400000000, -0.0001160000000000, 0.0008569400000000 ] - [ -0.0002528700000000, 0.0002343100000000, 0.0000949600000000 ] - [ -0.0008641100000000, -0.0001154800000000, -0.0006547700000000 ] - [ 0.0000121900000000, -0.0002003500000000, -0.0005377200000000 ] - [ -0.0001183000000000, 0.0000972700000000, -0.0006367800000000 ] - [ 0.0001293400000000, 0.0000992000000000, -0.0004526500000000 ] - [ 0.0012659400000000, -0.0001369500000000, 0.0002921500000000 ] - [ 0.0000733300000000, 0.0002671400000000, -0.0000095800000000 ] - [ -0.0011113100000000, -0.0001360200000000, -0.0003193000000000 ] - [ 0.0001925700000000, -0.0002086500000000, -0.0000845500000000 ] - [ -0.0000903200000000, 0.0001013100000000, -0.0002642200000000 ] - [ 0.0004573600000000, 0.0001028800000000, 0.0000842400000000 ] - [ 0.0037730100000000, -0.0002625500000000, 0.0019739600000000 ] - [ 0.0001189800000000, 0.0004703200000000, 0.0002276700000000 ] - [ -0.0035138600000000, -0.0002607700000000, -0.0015032500000000 ] - [ -0.0001120000000000, -0.0002366300000000, -0.0001109200000000 ] - [ -0.0007997900000000, 0.0001093000000000, -0.0004321700000000 ] - [ 0.0005207500000000, 0.0001123500000000, 0.0001909700000000 ] - [ 0.0036126100000000, -0.0002964000000000, 0.0014174700000000 ] - [ -0.0006056600000000, 0.0004445900000000, 0.0001441000000000 ] - [ -0.0047993800000000, -0.0002949200000000, -0.0011166800000000 ] - [ 0.0001376300000000, -0.0001206700000000, -0.0000137000000000 ] - [ -0.0012448800000000, 0.0001049200000000, -0.0002900900000000 ] - [ 0.0014090800000000, 0.0001092500000000, 0.0002300800000000 ] - [ 0.0012193000000000, -0.0004889900000000, -0.0009355200000000 ] - [ 0.0009614900000000, 0.0009580300000000, -0.0009250700000000 ] - [ 0.0007097200000000, -0.0004680400000000, -0.0009140200000000 ] - [ 0.0005559800000000, -0.0021884300000000, 0.0006138900000000 ] - [ 0.0007547400000000, 0.0010891300000000, 0.0006915900000000 ] - [ 0.0003504700000000, 0.0010887000000000, 0.0005349800000000 ] - [ 0.0007941400000000, -0.0003753700000000, 0.0001193000000000 ] - [ 0.0003281700000000, 0.0007411300000000, 0.0000495600000000 ] - [ -0.0001334200000000, -0.0003657600000000, -0.0000229300000000 ] - [ -0.0007764600000000, -0.0015401300000000, -0.0000567300000000 ] - [ -0.0007013000000000, 0.0007695100000000, -0.0000734000000000 ] - [ -0.0008607400000000, 0.0007694500000000, -0.0000420700000000 ] - [ 0.0023466800000000, -0.0003567300000000, -0.0000089200000000 ] - [ 0.0016380000000000, 0.0007042500000000, -0.0001607200000000 ] - [ 0.0009351400000000, -0.0003482000000000, -0.0003100100000000 ] - [ -0.0010320800000000, -0.0008909200000000, 0.0004991200000000 ] - [ -0.0011608600000000, 0.0004432700000000, 0.0004405800000000 ] - [ -0.0009180500000000, 0.0004498600000000, 0.0005558200000000 ]- atom: 91 displacement: [ -0.0020604768976038, 0.0000000000000000, 0.0097854195083523 ] forces: - [ -0.0126531200000000, 0.0000000000000000, -0.0117957100000000 ] - [ -0.0016669900000000, 0.0045346300000000, 0.0007437400000000 ] - [ -0.0016669900000000, -0.0045346300000000, 0.0007437400000000 ] - [ 0.0021850400000000, -0.0026862900000000, -0.0058885600000000 ] - [ -0.0003721100000000, 0.0000000000000000, -0.0014080800000000 ] - [ 0.0021850400000000, 0.0026862900000000, -0.0058885600000000 ] - [ 0.0010361600000000, 0.0000000000000000, 0.0130304900000000 ] - [ 0.0013039800000000, -0.0033053500000000, 0.0018686500000000 ] - [ 0.0013039800000000, 0.0033053500000000, 0.0018686500000000 ] - [ -0.0042791400000000, 0.0024453700000000, 0.0166073700000000 ] - [ -0.0016454300000000, 0.0000000000000000, 0.0008534600000000 ] - [ -0.0042791400000000, -0.0024453700000000, 0.0166073700000000 ] - [ -0.0004952400000000, 0.0000000000000000, -0.0115015900000000 ] - [ -0.0012475600000000, 0.0001349600000000, -0.0020867700000000 ] - [ -0.0012475600000000, -0.0001349600000000, -0.0020867700000000 ] - [ 0.0027196900000000, 0.0047019900000000, -0.0018536000000000 ] - [ 0.0002500500000000, 0.0000000000000000, 0.0004085400000000 ] - [ 0.0027196900000000, -0.0047019900000000, -0.0018536000000000 ] - [ 0.0003273000000000, 0.0000089100000000, 0.0000235700000000 ] - [ 0.0002753100000000, 0.0000000000000000, 0.0000796700000000 ] - [ 0.0003273000000000, -0.0000089100000000, 0.0000235700000000 ] - [ -0.0001888300000000, 0.0000000000000000, -0.0001983400000000 ] - [ -0.0001464600000000, -0.0000025800000000, -0.0001294900000000 ] - [ -0.0001464600000000, 0.0000025800000000, -0.0001294900000000 ] - [ 0.0011254000000000, 0.0000119500000000, 0.0002522200000000 ] - [ 0.0010875900000000, 0.0000000000000000, 0.0001343400000000 ] - [ 0.0011254000000000, -0.0000119500000000, 0.0002522200000000 ] - [ -0.0002097500000000, 0.0000000000000000, -0.0003415100000000 ] - [ -0.0004840000000000, -0.0000180500000000, -0.0002418300000000 ] - [ -0.0004840000000000, 0.0000180500000000, -0.0002418300000000 ] - [ -0.0017915000000000, -0.0000533600000000, -0.0001489400000000 ] - [ -0.0014490400000000, 0.0000000000000000, -0.0001575400000000 ] - [ -0.0017915000000000, 0.0000533600000000, -0.0001489400000000 ] - [ -0.0009226300000000, 0.0000000000000000, 0.0010403100000000 ] - [ -0.0003739400000000, 0.0000377500000000, 0.0006930900000000 ] - [ -0.0003739400000000, -0.0000377500000000, 0.0006930900000000 ] - [ -0.0006977600000000, 0.0000610600000000, -0.0005635100000000 ] - [ 0.0002276600000000, 0.0000000000000000, 0.0002365100000000 ] - [ -0.0006977600000000, -0.0000610600000000, -0.0005635100000000 ] - [ 0.0008119200000000, 0.0000000000000000, 0.0013435800000000 ] - [ 0.0001818900000000, -0.0000245000000000, 0.0003732300000000 ] - [ 0.0001818900000000, 0.0000245000000000, 0.0003732300000000 ] - [ -0.0002227600000000, 0.0000000000000000, -0.0001831400000000 ] - [ 0.0000152700000000, 0.0000216200000000, -0.0002266700000000 ] - [ 0.0000152700000000, -0.0000216200000000, -0.0002266700000000 ] - [ -0.0007868400000000, 0.0000000000000000, -0.0007137300000000 ] - [ -0.0000683100000000, 0.0000268300000000, -0.0000843500000000 ] - [ -0.0000683100000000, -0.0000268300000000, -0.0000843500000000 ] - [ 0.0001158900000000, 0.0000000000000000, 0.0000332600000000 ] - [ 0.0002974200000000, -0.0000036300000000, 0.0002817400000000 ] - [ 0.0002974200000000, 0.0000036300000000, 0.0002817400000000 ] - [ 0.0001455200000000, -0.0001171200000000, 0.0004558600000000 ] - [ 0.0000230000000000, 0.0000000000000000, 0.0002074800000000 ] - [ 0.0001455200000000, 0.0001171200000000, 0.0004558600000000 ] - [ 0.0002815400000000, 0.0000102800000000, -0.0009861700000000 ] - [ 0.0001310700000000, 0.0000000000000000, -0.0004732600000000 ] - [ 0.0002815400000000, -0.0000102800000000, -0.0009861700000000 ] - [ 0.0002124800000000, 0.0000356300000000, 0.0001827000000000 ] - [ 0.0000088600000000, 0.0000000000000000, -0.0000502100000000 ] - [ 0.0002124800000000, -0.0000356300000000, 0.0001827000000000 ] - [ 0.0078533000000000, 0.0000000000000000, 0.0217558100000000 ] - [ 0.0003379900000000, -0.0002962400000000, 0.0018234800000000 ] - [ 0.0003379900000000, 0.0002962400000000, 0.0018234800000000 ] - [ 0.0008908400000000, -0.0004126100000000, 0.0038767300000000 ] - [ 0.0002487100000000, 0.0000000000000000, 0.0006036700000000 ] - [ 0.0008908400000000, 0.0004126100000000, 0.0038767300000000 ] - [ 0.0120701800000000, 0.0000000000000000, -0.0073195800000000 ] - [ 0.0010239200000000, -0.0000672200000000, -0.0021494300000000 ] - [ 0.0010239200000000, 0.0000672200000000, -0.0021494300000000 ] - [ 0.0007113700000000, 0.0066890700000000, 0.0038014300000000 ] - [ 0.0003074400000000, 0.0000000000000000, -0.0001935200000000 ] - [ 0.0007113700000000, -0.0066890700000000, 0.0038014300000000 ] - [ -0.0058393900000000, 0.0000000000000000, 0.0068064400000000 ] - [ -0.0004432700000000, 0.0002690200000000, 0.0006390000000000 ] - [ -0.0004432700000000, -0.0002690200000000, 0.0006390000000000 ] - [ -0.0000748700000000, -0.0028240100000000, -0.0024892900000000 ] - [ 0.0002507500000000, 0.0000000000000000, -0.0009156100000000 ] - [ -0.0000748700000000, 0.0028240100000000, -0.0024892900000000 ] - [ -0.0001973600000000, 0.0000000000000000, 0.0008283600000000 ] - [ -0.0005903400000000, -0.0000050100000000, 0.0002384400000000 ] - [ -0.0005903400000000, 0.0000050100000000, 0.0002384400000000 ] - [ -0.0010980600000000, -0.0001905500000000, 0.0002284400000000 ] - [ -0.0002514000000000, 0.0000000000000000, 0.0000570600000000 ] - [ -0.0010980600000000, 0.0001905500000000, 0.0002284400000000 ] - [ -0.0067267400000000, 0.0000000000000000, 0.0081960500000000 ] - [ 0.0007178800000000, -0.0014643800000000, -0.0006443900000000 ] - [ 0.0007178800000000, 0.0014643800000000, -0.0006443900000000 ] - [ -0.0005466300000000, -0.0005158400000000, 0.0016993200000000 ] - [ 0.0003099900000000, 0.0000000000000000, 0.0010547700000000 ] - [ -0.0005466300000000, 0.0005158400000000, 0.0016993200000000 ] - [ 0.0226207900000000, 0.0000000000000000, -0.0771670000000000 ] - [ 0.0001509300000000, 0.0015039600000000, -0.0006519100000000 ] - [ 0.0001509300000000, -0.0015039600000000, -0.0006519100000000 ] - [ -0.0068024100000000, 0.0130275900000000, 0.0001001300000000 ] - [ -0.0003391700000000, 0.0000000000000000, 0.0003529100000000 ] - [ -0.0068024100000000, -0.0130275900000000, 0.0001001300000000 ] - [ -0.0030198100000000, 0.0000000000000000, 0.0072290000000000 ] - [ 0.0009250300000000, 0.0008631100000000, 0.0003087600000000 ] - [ 0.0009250300000000, -0.0008631100000000, 0.0003087600000000 ] - [ -0.0004441300000000, -0.0169635500000000, 0.0084802300000000 ] - [ -0.0015549400000000, 0.0000000000000000, -0.0003802500000000 ] - [ -0.0004441300000000, 0.0169635500000000, 0.0084802300000000 ] - [ -0.0002265200000000, 0.0000007700000000, 0.0002383900000000 ] - [ -0.0002644500000000, 0.0000000000000000, 0.0001325000000000 ] - [ -0.0002265200000000, -0.0000007700000000, 0.0002383900000000 ] - [ 0.0000766600000000, 0.0000000000000000, -0.0004547100000000 ] - [ 0.0000057300000000, -0.0000043100000000, -0.0005417000000000 ] - [ 0.0000057300000000, 0.0000043100000000, -0.0005417000000000 ] - [ -0.0002166100000000, -0.0000123300000000, -0.0002222900000000 ] - [ -0.0000484600000000, 0.0000000000000000, -0.0000935800000000 ] - [ -0.0002166100000000, 0.0000123300000000, -0.0002222900000000 ] - [ 0.0001960300000000, 0.0000000000000000, 0.0001385600000000 ] - [ 0.0001596000000000, 0.0000056200000000, -0.0000503600000000 ] - [ 0.0001596000000000, -0.0000056200000000, -0.0000503600000000 ] - [ 0.0000603900000000, 0.0000492200000000, 0.0000183500000000 ] - [ 0.0001073500000000, 0.0000000000000000, 0.0001802500000000 ] - [ 0.0000603900000000, -0.0000492200000000, 0.0000183500000000 ] - [ -0.0007176300000000, 0.0000000000000000, -0.0006995300000000 ] - [ -0.0003048900000000, 0.0000129000000000, -0.0002468800000000 ] - [ -0.0003048900000000, -0.0000129000000000, -0.0002468800000000 ] - [ -0.0000250300000000, -0.0000113100000000, 0.0009861500000000 ] - [ -0.0005875600000000, 0.0000000000000000, 0.0003271000000000 ] - [ -0.0000250300000000, 0.0000113100000000, 0.0009861500000000 ] - [ 0.0011145000000000, 0.0000000000000000, 0.0001869100000000 ] - [ 0.0001112100000000, -0.0000317900000000, -0.0000949400000000 ] - [ 0.0001112100000000, 0.0000317900000000, -0.0000949400000000 ] - [ 0.0009632100000000, -0.0000614800000000, -0.0009545300000000 ] - [ 0.0009407800000000, 0.0000000000000000, -0.0009368000000000 ] - [ 0.0009632100000000, 0.0000614800000000, -0.0009545300000000 ] - [ 0.0006341000000000, 0.0000000000000000, 0.0006092200000000 ] - [ 0.0005801800000000, 0.0000467900000000, 0.0006099800000000 ] - [ 0.0005801800000000, -0.0000467900000000, 0.0006099800000000 ] - [ 0.0002376400000000, 0.0000271800000000, 0.0000153400000000 ] - [ 0.0002760100000000, 0.0000000000000000, 0.0000314900000000 ] - [ 0.0002376400000000, -0.0000271800000000, 0.0000153400000000 ] - [ -0.0008318500000000, 0.0000000000000000, -0.0000780400000000 ] - [ -0.0008221000000000, -0.0000134700000000, -0.0000797600000000 ] - [ -0.0008221000000000, 0.0000134700000000, -0.0000797600000000 ] - [ 0.0016566500000000, -0.0000022500000000, -0.0002059300000000 ] - [ 0.0016292400000000, 0.0000000000000000, -0.0001805200000000 ] - [ 0.0016566500000000, 0.0000022500000000, -0.0002059300000000 ] - [ -0.0010757500000000, 0.0000000000000000, 0.0004298300000000 ] - [ -0.0010791200000000, -0.0000132100000000, 0.0004722600000000 ] - [ -0.0010791200000000, 0.0000132100000000, 0.0004722600000000 ]- atom: 91 displacement: [ 0.0020604768976038, 0.0000000000000000, -0.0097854195083523 ] forces: - [ 0.0127490400000000, 0.0000000000000000, 0.0109866300000000 ] - [ 0.0020227500000000, -0.0045608400000000, -0.0005889900000000 ] - [ 0.0020227500000000, 0.0045608400000000, -0.0005889900000000 ] - [ -0.0025567000000000, 0.0026570300000000, 0.0056784100000000 ] - [ 0.0000373800000000, 0.0000000000000000, 0.0011637300000000 ] - [ -0.0025567000000000, -0.0026570300000000, 0.0056784100000000 ] - [ 0.0005883900000000, 0.0000000000000000, -0.0129940600000000 ] - [ 0.0007356900000000, 0.0033086800000000, -0.0017802600000000 ] - [ 0.0007356900000000, -0.0033086800000000, -0.0017802600000000 ] - [ 0.0028846200000000, -0.0025847400000000, -0.0171429500000000 ] - [ 0.0003834700000000, 0.0000000000000000, -0.0013025600000000 ] - [ 0.0028846200000000, 0.0025847400000000, -0.0171429500000000 ] - [ -0.0023035100000000, 0.0000000000000000, 0.0113449600000000 ] - [ -0.0015918900000000, -0.0001604600000000, 0.0018316200000000 ] - [ -0.0015918900000000, 0.0001604600000000, 0.0018316200000000 ] - [ -0.0034497300000000, -0.0047601600000000, 0.0029462600000000 ] - [ -0.0009626300000000, 0.0000000000000000, 0.0007308600000000 ] - [ -0.0034497300000000, 0.0047601600000000, 0.0029462600000000 ] - [ 0.0000429400000000, -0.0000102800000000, 0.0001659700000000 ] - [ 0.0000948700000000, 0.0000000000000000, 0.0001123900000000 ] - [ 0.0000429400000000, 0.0000102800000000, 0.0001659700000000 ] - [ -0.0001188300000000, 0.0000000000000000, -0.0000494800000000 ] - [ -0.0001672900000000, 0.0000012100000000, -0.0001197300000000 ] - [ -0.0001672900000000, -0.0000012100000000, -0.0001197300000000 ] - [ 0.0009587900000000, -0.0000130800000000, -0.0001743300000000 ] - [ 0.0009906700000000, 0.0000000000000000, -0.0000565600000000 ] - [ 0.0009587900000000, 0.0000130800000000, -0.0001743300000000 ] - [ -0.0010658100000000, 0.0000000000000000, -0.0001126100000000 ] - [ -0.0007924800000000, 0.0000168500000000, -0.0002113600000000 ] - [ -0.0007924800000000, -0.0000168500000000, -0.0002113600000000 ] - [ -0.0010429900000000, 0.0000535800000000, -0.0001011200000000 ] - [ -0.0013880500000000, 0.0000000000000000, -0.0000981800000000 ] - [ -0.0010429900000000, -0.0000535800000000, -0.0001011200000000 ] - [ 0.0002276400000000, 0.0000000000000000, 0.0001105700000000 ] - [ -0.0003346700000000, -0.0000403800000000, 0.0004598000000000 ] - [ -0.0003346700000000, 0.0000403800000000, 0.0004598000000000 ] - [ 0.0013517500000000, -0.0000576900000000, 0.0012272600000000 ] - [ 0.0004211800000000, 0.0000000000000000, 0.0004225400000000 ] - [ 0.0013517500000000, 0.0000576900000000, 0.0012272600000000 ] - [ -0.0007745200000000, 0.0000000000000000, -0.0010237100000000 ] - [ -0.0001609200000000, 0.0000241700000000, -0.0000382000000000 ] - [ -0.0001609200000000, -0.0000241700000000, -0.0000382000000000 ] - [ 0.0003513000000000, 0.0000000000000000, -0.0002800600000000 ] - [ 0.0001084300000000, -0.0000222700000000, -0.0002251600000000 ] - [ 0.0001084300000000, 0.0000222700000000, -0.0002251600000000 ] - [ 0.0005705200000000, 0.0000000000000000, 0.0003612600000000 ] - [ -0.0001570800000000, -0.0000274900000000, -0.0002719600000000 ] - [ -0.0001570800000000, 0.0000274900000000, -0.0002719600000000 ] - [ 0.0005425600000000, 0.0000000000000000, 0.0006350000000000 ] - [ 0.0003506400000000, 0.0000032400000000, 0.0003765300000000 ] - [ 0.0003506400000000, -0.0000032400000000, 0.0003765300000000 ] - [ -0.0001134900000000, 0.0001195000000000, -0.0001112800000000 ] - [ -0.0000006500000000, 0.0000000000000000, 0.0001292100000000 ] - [ -0.0001134900000000, -0.0001195000000000, -0.0001112800000000 ] - [ -0.0001608600000000, -0.0000106300000000, 0.0005415800000000 ] - [ -0.0000087400000000, 0.0000000000000000, 0.0000247100000000 ] - [ -0.0001608600000000, 0.0000106300000000, 0.0005415800000000 ] - [ -0.0004365300000000, -0.0000361400000000, -0.0005402600000000 ] - [ -0.0002316600000000, 0.0000000000000000, -0.0003043300000000 ] - [ -0.0004365300000000, 0.0000361400000000, -0.0005402600000000 ] - [ -0.0085058100000000, 0.0000000000000000, -0.0219622200000000 ] - [ -0.0008428900000000, 0.0002988200000000, -0.0016283200000000 ] - [ -0.0008428900000000, -0.0002988200000000, -0.0016283200000000 ] - [ -0.0008785000000000, 0.0004207000000000, -0.0049758100000000 ] - [ -0.0002420100000000, 0.0000000000000000, -0.0017111200000000 ] - [ -0.0008785000000000, -0.0004207000000000, -0.0049758100000000 ] - [ -0.0119574000000000, 0.0000000000000000, 0.0073493400000000 ] - [ -0.0008803900000000, 0.0000688700000000, 0.0021378100000000 ] - [ -0.0008803900000000, -0.0000688700000000, 0.0021378100000000 ] - [ -0.0003035800000000, -0.0066208400000000, -0.0039890800000000 ] - [ 0.0000573000000000, 0.0000000000000000, 0.0000013100000000 ] - [ -0.0003035800000000, 0.0066208400000000, -0.0039890800000000 ] - [ 0.0060805600000000, 0.0000000000000000, -0.0063316400000000 ] - [ 0.0006686300000000, -0.0002678300000000, -0.0001967800000000 ] - [ 0.0006686300000000, 0.0002678300000000, -0.0001967800000000 ] - [ -0.0002457800000000, 0.0028038100000000, 0.0023039500000000 ] - [ -0.0005419800000000, 0.0000000000000000, 0.0006901700000000 ] - [ -0.0002457800000000, -0.0028038100000000, 0.0023039500000000 ] - [ -0.0010603000000000, 0.0000000000000000, -0.0005383400000000 ] - [ -0.0006388800000000, 0.0000067800000000, 0.0000482600000000 ] - [ -0.0006388800000000, -0.0000067800000000, 0.0000482600000000 ] - [ 0.0012735600000000, 0.0001938500000000, -0.0002827000000000 ] - [ 0.0004203000000000, 0.0000000000000000, -0.0001158200000000 ] - [ 0.0012735600000000, -0.0001938500000000, -0.0002827000000000 ] - [ 0.0088561600000000, 0.0000000000000000, -0.0102404500000000 ] - [ 0.0011989600000000, 0.0014740800000000, -0.0011998100000000 ] - [ 0.0011989600000000, -0.0014740800000000, -0.0011998100000000 ] - [ 0.0016533700000000, 0.0005565400000000, -0.0004849700000000 ] - [ 0.0007925300000000, 0.0000000000000000, 0.0001666700000000 ] - [ 0.0016533700000000, -0.0005565400000000, -0.0004849700000000 ] - [ -0.0211387700000000, 0.0000000000000000, 0.0788741400000000 ] - [ 0.0005485800000000, -0.0016004200000000, 0.0007766100000000 ] - [ 0.0005485800000000, 0.0016004200000000, 0.0007766100000000 ] - [ 0.0052572700000000, -0.0129917500000000, -0.0002764000000000 ] - [ -0.0012164400000000, 0.0000000000000000, -0.0004794500000000 ] - [ 0.0052572700000000, 0.0129917500000000, -0.0002764000000000 ] - [ 0.0062283400000000, 0.0000000000000000, -0.0074037000000000 ] - [ 0.0023480000000000, -0.0008531100000000, -0.0006391600000000 ] - [ 0.0023480000000000, 0.0008531100000000, -0.0006391600000000 ] - [ -0.0016481100000000, 0.0171771700000000, -0.0075212500000000 ] - [ -0.0005226500000000, 0.0000000000000000, 0.0013953900000000 ] - [ -0.0016481100000000, -0.0171771700000000, -0.0075212500000000 ] - [ -0.0002853000000000, -0.0000001900000000, -0.0000643700000000 ] - [ -0.0002493200000000, 0.0000000000000000, 0.0000406000000000 ] - [ -0.0002853000000000, 0.0000001900000000, -0.0000643700000000 ] - [ -0.0000760700000000, 0.0000000000000000, -0.0006535500000000 ] - [ 0.0000004200000000, 0.0000046100000000, -0.0005549300000000 ] - [ 0.0000004200000000, -0.0000046100000000, -0.0005549300000000 ] - [ 0.0003534200000000, 0.0000126500000000, 0.0002023300000000 ] - [ 0.0001827400000000, 0.0000000000000000, 0.0000763800000000 ] - [ 0.0003534200000000, -0.0000126500000000, 0.0002023300000000 ] - [ 0.0001530000000000, 0.0000000000000000, -0.0003195800000000 ] - [ 0.0002003500000000, -0.0000050600000000, -0.0001303700000000 ] - [ 0.0002003500000000, 0.0000050600000000, -0.0001303700000000 ] - [ 0.0001446400000000, -0.0000498400000000, 0.0004284800000000 ] - [ 0.0001082800000000, 0.0000000000000000, 0.0002696600000000 ] - [ 0.0001446400000000, 0.0000498400000000, 0.0004284800000000 ] - [ 0.0004303300000000, 0.0000000000000000, 0.0004606600000000 ] - [ 0.0000208200000000, -0.0000121400000000, 0.0000082500000000 ] - [ 0.0000208200000000, 0.0000121400000000, 0.0000082500000000 ] - [ -0.0012053100000000, 0.0000106700000000, -0.0007061500000000 ] - [ -0.0006415200000000, 0.0000000000000000, -0.0000435700000000 ] - [ -0.0012053100000000, -0.0000106700000000, -0.0007061500000000 ] - [ -0.0009625000000000, 0.0000000000000000, -0.0002393800000000 ] - [ 0.0000546000000000, 0.0000327000000000, 0.0000387500000000 ] - [ 0.0000546000000000, -0.0000327000000000, 0.0000387500000000 ] - [ 0.0009471700000000, 0.0000658300000000, -0.0008953200000000 ] - [ 0.0009723200000000, 0.0000000000000000, -0.0009130400000000 ] - [ 0.0009471700000000, -0.0000658300000000, -0.0008953200000000 ] - [ 0.0004552600000000, 0.0000000000000000, 0.0006156900000000 ] - [ 0.0005135100000000, -0.0000474300000000, 0.0006138500000000 ] - [ 0.0005135100000000, 0.0000474300000000, 0.0006138500000000 ] - [ 0.0004090400000000, -0.0000243400000000, 0.0000789600000000 ] - [ 0.0003733700000000, 0.0000000000000000, 0.0000653300000000 ] - [ 0.0004090400000000, 0.0000243400000000, 0.0000789600000000 ] - [ -0.0007416300000000, 0.0000000000000000, -0.0000427400000000 ] - [ -0.0007492500000000, 0.0000139500000000, -0.0000379600000000 ] - [ -0.0007492500000000, -0.0000139500000000, -0.0000379600000000 ] - [ 0.0016088200000000, 0.0000029700000000, -0.0001165900000000 ] - [ 0.0016384500000000, 0.0000000000000000, -0.0001416400000000 ] - [ 0.0016088200000000, -0.0000029700000000, -0.0001165900000000 ] - [ -0.0010111300000000, 0.0000000000000000, 0.0005646900000000 ] - [ -0.0010061800000000, 0.0000118100000000, 0.0005238300000000 ] - [ -0.0010061800000000, -0.0000118100000000, 0.0005238300000000 ]- atom: 94 displacement: [ 0.0099999983408567, 0.0000000000000000, 0.0000057604567923 ] forces: - [ 0.0089299200000000, 0.0028097700000000, 0.0022150700000000 ] - [ 0.0089299200000000, -0.0028097700000000, 0.0022150700000000 ] - [ 0.0027411000000000, 0.0000000000000000, 0.0004372700000000 ] - [ 0.0171890500000000, 0.0000000000000000, -0.0075141700000000 ] - [ 0.0023511800000000, -0.0011300600000000, 0.0016721100000000 ] - [ 0.0023511800000000, 0.0011300600000000, 0.0016721100000000 ] - [ 0.0224031200000000, 0.0017001100000000, 0.0015433200000000 ] - [ 0.0224031200000000, -0.0017001100000000, 0.0015433200000000 ] - [ 0.0010529400000000, 0.0000000000000000, -0.0015755900000000 ] - [ 0.0014782400000000, 0.0000000000000000, 0.0191992400000000 ] - [ 0.0017903700000000, -0.0051526000000000, -0.0017958000000000 ] - [ 0.0017903700000000, 0.0051526000000000, -0.0017958000000000 ] - [ 0.0007698500000000, -0.0017229700000000, 0.0059342600000000 ] - [ 0.0007698500000000, 0.0017229700000000, 0.0059342600000000 ] - [ -0.0013208000000000, 0.0000000000000000, 0.0011225700000000 ] - [ 0.0021213700000000, 0.0000000000000000, 0.0079264300000000 ] - [ 0.0001443600000000, -0.0017965400000000, 0.0017075100000000 ] - [ 0.0001443600000000, 0.0017965400000000, 0.0017075100000000 ] - [ -0.0018694100000000, 0.0000000000000000, -0.0006898200000000 ] - [ -0.0007374900000000, -0.0000658100000000, -0.0002411100000000 ] - [ -0.0007374900000000, 0.0000658100000000, -0.0002411100000000 ] - [ -0.0015680900000000, 0.0003107400000000, -0.0004638900000000 ] - [ -0.0015680900000000, -0.0003107400000000, -0.0004638900000000 ] - [ -0.0009471300000000, 0.0000000000000000, -0.0003566100000000 ] - [ -0.0015135800000000, 0.0000000000000000, 0.0001732500000000 ] - [ 0.0002687100000000, -0.0002764900000000, 0.0001513100000000 ] - [ 0.0002687100000000, 0.0002764900000000, 0.0001513100000000 ] - [ -0.0024538100000000, 0.0000558900000000, 0.0001129200000000 ] - [ -0.0024538100000000, -0.0000558900000000, 0.0001129200000000 ] - [ -0.0014015900000000, 0.0000000000000000, -0.0001399400000000 ] - [ -0.0053106900000000, 0.0000000000000000, -0.0008033500000000 ] - [ -0.0020658100000000, -0.0005588900000000, -0.0004431700000000 ] - [ -0.0020658100000000, 0.0005588900000000, -0.0004431700000000 ] - [ -0.0020167200000000, -0.0000661700000000, -0.0003035100000000 ] - [ -0.0020167200000000, 0.0000661700000000, -0.0003035100000000 ] - [ -0.0011408900000000, 0.0000000000000000, 0.0002623600000000 ] - [ -0.0044337200000000, 0.0000000000000000, -0.0043217500000000 ] - [ 0.0003162000000000, -0.0001261400000000, 0.0003127500000000 ] - [ 0.0003162000000000, 0.0001261400000000, 0.0003127500000000 ] - [ -0.0019569600000000, -0.0001362100000000, -0.0013011000000000 ] - [ -0.0019569600000000, 0.0001362100000000, -0.0013011000000000 ] - [ -0.0003683100000000, 0.0000000000000000, -0.0001464000000000 ] - [ 0.0000161300000000, -0.0000039400000000, -0.0001245700000000 ] - [ 0.0000161300000000, 0.0000039400000000, -0.0001245700000000 ] - [ 0.0000170900000000, 0.0000000000000000, -0.0001142100000000 ] - [ -0.0009984700000000, -0.0002124200000000, -0.0010292500000000 ] - [ -0.0009984700000000, 0.0002124200000000, -0.0010292500000000 ] - [ -0.0003757400000000, 0.0000000000000000, -0.0004053600000000 ] - [ -0.0001838600000000, -0.0000293900000000, 0.0002256800000000 ] - [ -0.0001838600000000, 0.0000293900000000, 0.0002256800000000 ] - [ 0.0000516800000000, 0.0000000000000000, 0.0001765600000000 ] - [ -0.0024650700000000, 0.0000000000000000, -0.0018105100000000 ] - [ -0.0002050100000000, -0.0001180900000000, 0.0000148900000000 ] - [ -0.0002050100000000, 0.0001180900000000, 0.0000148900000000 ] - [ 0.0000152100000000, 0.0000000000000000, 0.0001477400000000 ] - [ 0.0000361100000000, -0.0000758700000000, -0.0001753400000000 ] - [ 0.0000361100000000, 0.0000758700000000, -0.0001753400000000 ] - [ -0.0014877500000000, 0.0000000000000000, -0.0006649500000000 ] - [ -0.0003218800000000, -0.0000665800000000, -0.0002963500000000 ] - [ -0.0003218800000000, 0.0000665800000000, -0.0002963500000000 ] - [ -0.0018376500000000, -0.0000172000000000, -0.0029704400000000 ] - [ -0.0018376500000000, 0.0000172000000000, -0.0029704400000000 ] - [ -0.0007536300000000, 0.0000000000000000, -0.0010808600000000 ] - [ 0.0005460400000000, 0.0000000000000000, 0.0022908600000000 ] - [ -0.0007170600000000, 0.0002628400000000, -0.0021007700000000 ] - [ -0.0007170600000000, -0.0002628400000000, -0.0021007700000000 ] - [ -0.0039872900000000, 0.0032455300000000, 0.0071243600000000 ] - [ -0.0039872900000000, -0.0032455300000000, 0.0071243600000000 ] - [ -0.0008701200000000, 0.0000000000000000, 0.0015608100000000 ] - [ 0.0175825300000000, 0.0000000000000000, 0.0162618600000000 ] - [ -0.0009954400000000, 0.0004457400000000, 0.0008216800000000 ] - [ -0.0009954400000000, -0.0004457400000000, 0.0008216800000000 ] - [ 0.0053930600000000, 0.0070838200000000, -0.0032077800000000 ] - [ 0.0053930600000000, -0.0070838200000000, -0.0032077800000000 ] - [ 0.0004687500000000, 0.0000000000000000, -0.0000180600000000 ] - [ 0.0154640500000000, 0.0000000000000000, -0.0153351400000000 ] - [ -0.0002427300000000, 0.0005654500000000, -0.0002394300000000 ] - [ -0.0002427300000000, -0.0005654500000000, -0.0002394300000000 ] - [ -0.0004989000000000, 0.0000263400000000, -0.0001446500000000 ] - [ -0.0004989000000000, -0.0000263400000000, -0.0001446500000000 ] - [ -0.0003938800000000, 0.0000000000000000, 0.0000743400000000 ] - [ 0.0016344500000000, 0.0000000000000000, -0.0009574500000000 ] - [ 0.0001072300000000, 0.0001680200000000, -0.0000513400000000 ] - [ 0.0001072300000000, -0.0001680200000000, -0.0000513400000000 ] - [ -0.0008525700000000, -0.0027908600000000, -0.0014689200000000 ] - [ -0.0008525700000000, 0.0027908600000000, -0.0014689200000000 ] - [ -0.0000354800000000, 0.0000000000000000, -0.0010203700000000 ] - [ -0.0005676100000000, 0.0000000000000000, -0.0051636900000000 ] - [ -0.0005507800000000, -0.0006692600000000, -0.0001332100000000 ] - [ -0.0005507800000000, 0.0006692600000000, -0.0001332100000000 ] - [ 0.0037169000000000, -0.0198909500000000, -0.0054262700000000 ] - [ 0.0037169000000000, 0.0198909500000000, -0.0054262700000000 ] - [ -0.0019787400000000, 0.0000000000000000, 0.0000153700000000 ] - [ -0.0970626300000000, 0.0000000000000000, -0.0044674200000000 ] - [ -0.0044052400000000, -0.0084077100000000, -0.0019146800000000 ] - [ -0.0044052400000000, 0.0084077100000000, -0.0019146800000000 ] - [ -0.0028766100000000, -0.0019149200000000, -0.0010414300000000 ] - [ -0.0028766100000000, 0.0019149200000000, -0.0010414300000000 ] - [ 0.0010440700000000, 0.0000000000000000, -0.0012094900000000 ] - [ -0.0032523800000000, 0.0000000000000000, -0.0058587900000000 ] - [ -0.0022571000000000, 0.0007787000000000, 0.0000583000000000 ] - [ -0.0022571000000000, -0.0007787000000000, 0.0000583000000000 ] - [ 0.0006965400000000, 0.0000000000000000, 0.0015194500000000 ] - [ 0.0000368200000000, 0.0000608300000000, 0.0006613500000000 ] - [ 0.0000368200000000, -0.0000608300000000, 0.0006613500000000 ] - [ 0.0004930200000000, -0.0000238600000000, 0.0002512800000000 ] - [ 0.0004930200000000, 0.0000238600000000, 0.0002512800000000 ] - [ 0.0002774600000000, 0.0000000000000000, -0.0000789100000000 ] - [ 0.0013884800000000, 0.0000000000000000, 0.0002216900000000 ] - [ 0.0004703300000000, 0.0000603700000000, -0.0000256600000000 ] - [ 0.0004703300000000, -0.0000603700000000, -0.0000256600000000 ] - [ 0.0009783500000000, -0.0000069400000000, -0.0003140800000000 ] - [ 0.0009783500000000, 0.0000069400000000, -0.0003140800000000 ] - [ 0.0006137100000000, 0.0000000000000000, -0.0001294400000000 ] - [ 0.0029747000000000, 0.0000000000000000, 0.0012329100000000 ] - [ 0.0005914200000000, 0.0001362400000000, 0.0002602800000000 ] - [ 0.0005914200000000, -0.0001362400000000, 0.0002602800000000 ] - [ 0.0017452400000000, 0.0001168300000000, 0.0005817300000000 ] - [ 0.0017452400000000, -0.0001168300000000, 0.0005817300000000 ] - [ 0.0004632700000000, 0.0000000000000000, 0.0000100200000000 ] - [ 0.0045241800000000, 0.0000000000000000, 0.0023487600000000 ] - [ -0.0003603300000000, 0.0001551100000000, 0.0001005200000000 ] - [ -0.0003603300000000, -0.0001551100000000, 0.0001005200000000 ] - [ 0.0012888900000000, 0.0001085400000000, 0.0002590300000000 ] - [ 0.0012888900000000, -0.0001085400000000, 0.0002590300000000 ] - [ 0.0006168400000000, 0.0000000000000000, 0.0000040500000000 ] - [ 0.0018674600000000, 0.0000000000000000, -0.0008307800000000 ] - [ 0.0014498600000000, -0.0001642100000000, -0.0008736700000000 ] - [ 0.0014498600000000, 0.0001642100000000, -0.0008736700000000 ] - [ 0.0012715300000000, -0.0008114300000000, 0.0006465600000000 ] - [ 0.0012715300000000, 0.0008114300000000, 0.0006465600000000 ] - [ 0.0009261100000000, 0.0000000000000000, 0.0006160500000000 ] - [ 0.0012156700000000, 0.0000000000000000, 0.0001887600000000 ] - [ 0.0007532400000000, -0.0000784800000000, 0.0001004400000000 ] - [ 0.0007532400000000, 0.0000784800000000, 0.0001004400000000 ] - [ -0.0001627700000000, -0.0004364600000000, 0.0000091000000000 ] - [ -0.0001627700000000, 0.0004364600000000, 0.0000091000000000 ] - [ -0.0004458600000000, 0.0000000000000000, -0.0000183500000000 ] - [ 0.0026286900000000, 0.0000000000000000, -0.0000767000000000 ] - [ 0.0019631600000000, 0.0000937100000000, -0.0001404300000000 ] - [ 0.0019631600000000, -0.0000937100000000, -0.0001404300000000 ] - [ -0.0004686300000000, -0.0002018700000000, 0.0006733900000000 ] - [ -0.0004686300000000, 0.0002018700000000, 0.0006733900000000 ] - [ -0.0007322500000000, 0.0000000000000000, 0.0005757600000000 ]- atom: 94 displacement: [ -0.0099999983408567, 0.0000000000000000, -0.0000057604567923 ] forces: - [ -0.0085208700000000, -0.0028012400000000, -0.0020298400000000 ] - [ -0.0085208700000000, 0.0028012400000000, -0.0020298400000000 ] - [ -0.0023651200000000, 0.0000000000000000, -0.0002520700000000 ] - [ -0.0173035100000000, 0.0000000000000000, 0.0074870500000000 ] - [ -0.0026487500000000, 0.0011552700000000, -0.0019083000000000 ] - [ -0.0026487500000000, -0.0011552700000000, -0.0019083000000000 ] - [ -0.0201307900000000, -0.0017381300000000, -0.0014383700000000 ] - [ -0.0201307900000000, 0.0017381300000000, -0.0014383700000000 ] - [ 0.0010046900000000, 0.0000000000000000, 0.0016434600000000 ] - [ -0.0011196900000000, 0.0000000000000000, -0.0198340200000000 ] - [ -0.0030540100000000, 0.0051393600000000, 0.0013274500000000 ] - [ -0.0030540100000000, -0.0051393600000000, 0.0013274500000000 ] - [ -0.0036517000000000, 0.0017065500000000, -0.0061861800000000 ] - [ -0.0036517000000000, -0.0017065500000000, -0.0061861800000000 ] - [ -0.0015319700000000, 0.0000000000000000, -0.0013778000000000 ] - [ -0.0027756300000000, 0.0000000000000000, -0.0065935600000000 ] - [ -0.0008433800000000, 0.0017817700000000, -0.0005425600000000 ] - [ -0.0008433800000000, -0.0017817700000000, -0.0005425600000000 ] - [ 0.0022159900000000, 0.0000000000000000, 0.0008673100000000 ] - [ 0.0011021100000000, 0.0000622900000000, 0.0004319800000000 ] - [ 0.0011021100000000, -0.0000622900000000, 0.0004319800000000 ] - [ 0.0012425900000000, -0.0003037500000000, 0.0002121200000000 ] - [ 0.0012425900000000, 0.0003037500000000, 0.0002121200000000 ] - [ 0.0006241500000000, 0.0000000000000000, 0.0001048600000000 ] - [ 0.0035624500000000, 0.0000000000000000, -0.0000876900000000 ] - [ 0.0018029400000000, 0.0002704800000000, -0.0000708200000000 ] - [ 0.0018029400000000, -0.0002704800000000, -0.0000708200000000 ] - [ 0.0011690300000000, -0.0000518900000000, -0.0005662700000000 ] - [ 0.0011690300000000, 0.0000518900000000, -0.0005662700000000 ] - [ 0.0001169200000000, 0.0000000000000000, -0.0003137800000000 ] - [ 0.0024282500000000, 0.0000000000000000, 0.0005391500000000 ] - [ -0.0007719300000000, 0.0005502900000000, 0.0001836900000000 ] - [ -0.0007719300000000, -0.0005502900000000, 0.0001836900000000 ] - [ 0.0012929900000000, 0.0000693800000000, 0.0014548800000000 ] - [ 0.0012929900000000, -0.0000693800000000, 0.0014548800000000 ] - [ 0.0004196600000000, 0.0000000000000000, 0.0008894900000000 ] - [ 0.0050139800000000, 0.0000000000000000, 0.0049107200000000 ] - [ 0.0003342400000000, 0.0001248500000000, 0.0003473800000000 ] - [ 0.0003342400000000, -0.0001248500000000, 0.0003473800000000 ] - [ 0.0019751600000000, 0.0001324900000000, 0.0016355000000000 ] - [ 0.0019751600000000, -0.0001324900000000, 0.0016355000000000 ] - [ 0.0003839000000000, 0.0000000000000000, 0.0004783000000000 ] - [ 0.0001048700000000, 0.0000039400000000, -0.0003229600000000 ] - [ 0.0001048700000000, -0.0000039400000000, -0.0003229600000000 ] - [ 0.0001037100000000, 0.0000000000000000, -0.0003332400000000 ] - [ 0.0007624900000000, 0.0002152000000000, 0.0006666700000000 ] - [ 0.0007624900000000, -0.0002152000000000, 0.0006666700000000 ] - [ 0.0001460100000000, 0.0000000000000000, 0.0000469300000000 ] - [ 0.0008247400000000, 0.0000295400000000, 0.0004258700000000 ] - [ 0.0008247400000000, -0.0000295400000000, 0.0004258700000000 ] - [ 0.0005890200000000, 0.0000000000000000, 0.0004759600000000 ] - [ 0.0024598400000000, 0.0000000000000000, 0.0021226100000000 ] - [ 0.0002279500000000, 0.0001166600000000, 0.0003221800000000 ] - [ 0.0002279500000000, -0.0001166600000000, 0.0003221800000000 ] - [ 0.0001100800000000, 0.0000000000000000, -0.0005989200000000 ] - [ 0.0000870100000000, 0.0000751000000000, -0.0002765800000000 ] - [ 0.0000870100000000, -0.0000751000000000, -0.0002765800000000 ] - [ 0.0012535400000000, 0.0000000000000000, 0.0003097400000000 ] - [ 0.0000994200000000, 0.0000657000000000, -0.0000568200000000 ] - [ 0.0000994200000000, -0.0000657000000000, -0.0000568200000000 ] - [ 0.0013208200000000, 0.0000167100000000, 0.0031304500000000 ] - [ 0.0013208200000000, -0.0000167100000000, 0.0031304500000000 ] - [ 0.0002459400000000, 0.0000000000000000, 0.0012746500000000 ] - [ -0.0005788200000000, 0.0000000000000000, -0.0035217100000000 ] - [ 0.0007130800000000, -0.0002633500000000, 0.0009726200000000 ] - [ 0.0007130800000000, 0.0002633500000000, 0.0009726200000000 ] - [ 0.0041386300000000, -0.0032289600000000, -0.0071199800000000 ] - [ 0.0041386300000000, 0.0032289600000000, -0.0071199800000000 ] - [ 0.0010083200000000, 0.0000000000000000, -0.0015750200000000 ] - [ -0.0168680600000000, 0.0000000000000000, -0.0160333100000000 ] - [ 0.0013373000000000, -0.0004450800000000, -0.0009897000000000 ] - [ 0.0013373000000000, 0.0004450800000000, -0.0009897000000000 ] - [ -0.0052520800000000, -0.0071918600000000, 0.0037089000000000 ] - [ -0.0052520800000000, 0.0071918600000000, 0.0037089000000000 ] - [ -0.0002415900000000, 0.0000000000000000, 0.0004668900000000 ] - [ -0.0153878700000000, 0.0000000000000000, 0.0147957200000000 ] - [ -0.0000471000000000, -0.0005630400000000, 0.0000015100000000 ] - [ -0.0000471000000000, 0.0005630400000000, 0.0000015100000000 ] - [ -0.0007180900000000, -0.0000269600000000, 0.0004326500000000 ] - [ -0.0007180900000000, 0.0000269600000000, 0.0004326500000000 ] - [ -0.0008262000000000, 0.0000000000000000, 0.0002129500000000 ] - [ -0.0014662900000000, 0.0000000000000000, 0.0008851400000000 ] - [ 0.0000507300000000, -0.0001658700000000, -0.0000072800000000 ] - [ 0.0000507300000000, 0.0001658700000000, -0.0000072800000000 ] - [ 0.0027503000000000, 0.0027731100000000, -0.0003882100000000 ] - [ 0.0027503000000000, -0.0027731100000000, -0.0003882100000000 ] - [ 0.0019398300000000, 0.0000000000000000, -0.0008301400000000 ] - [ 0.0016608500000000, 0.0000000000000000, 0.0063912200000000 ] - [ 0.0016551800000000, 0.0006650200000000, 0.0013573100000000 ] - [ 0.0016551800000000, -0.0006650200000000, 0.0013573100000000 ] - [ -0.0030840600000000, 0.0197165900000000, 0.0054672500000000 ] - [ -0.0030840600000000, -0.0197165900000000, 0.0054672500000000 ] - [ 0.0026157700000000, 0.0000000000000000, 0.0000858700000000 ] - [ 0.0929095700000000, 0.0000000000000000, 0.0044627900000000 ] - [ 0.0027972000000000, 0.0083711000000000, 0.0017858300000000 ] - [ 0.0027972000000000, -0.0083711000000000, 0.0017858300000000 ] - [ 0.0061469400000000, 0.0020135500000000, 0.0006287000000000 ] - [ 0.0061469400000000, -0.0020135500000000, 0.0006287000000000 ] - [ 0.0022297800000000, 0.0000000000000000, 0.0008815000000000 ] - [ 0.0011371500000000, 0.0000000000000000, 0.0067984400000000 ] - [ 0.0001649700000000, -0.0007685600000000, 0.0009381700000000 ] - [ 0.0001649700000000, 0.0007685600000000, 0.0009381700000000 ] - [ -0.0011941400000000, 0.0000000000000000, -0.0013140500000000 ] - [ -0.0005489500000000, -0.0000595200000000, -0.0004836600000000 ] - [ -0.0005489500000000, 0.0000595200000000, -0.0004836600000000 ] - [ -0.0004845100000000, 0.0000229000000000, -0.0013473900000000 ] - [ -0.0004845100000000, -0.0000229000000000, -0.0013473900000000 ] - [ -0.0002673900000000, 0.0000000000000000, -0.0010125500000000 ] - [ -0.0012379500000000, 0.0000000000000000, -0.0002521000000000 ] - [ -0.0003357100000000, -0.0000593300000000, 0.0000030800000000 ] - [ -0.0003357100000000, 0.0000593300000000, 0.0000030800000000 ] - [ -0.0006154200000000, 0.0000059200000000, 0.0001387000000000 ] - [ -0.0006154200000000, -0.0000059200000000, 0.0001387000000000 ] - [ -0.0002465000000000, 0.0000000000000000, -0.0000473500000000 ] - [ -0.0027285500000000, 0.0000000000000000, -0.0007692700000000 ] - [ -0.0003736000000000, -0.0001342400000000, 0.0001887300000000 ] - [ -0.0003736000000000, 0.0001342400000000, 0.0001887300000000 ] - [ -0.0020239500000000, -0.0001180700000000, -0.0008211900000000 ] - [ -0.0020239500000000, 0.0001180700000000, -0.0008211900000000 ] - [ -0.0007390500000000, 0.0000000000000000, -0.0002478100000000 ] - [ -0.0056855600000000, 0.0000000000000000, -0.0020231200000000 ] - [ -0.0008714100000000, -0.0001529900000000, 0.0001851500000000 ] - [ -0.0008714100000000, 0.0001529900000000, 0.0001851500000000 ] - [ -0.0011091000000000, -0.0001101200000000, -0.0003155800000000 ] - [ -0.0011091000000000, 0.0001101200000000, -0.0003155800000000 ] - [ -0.0004439700000000, 0.0000000000000000, -0.0000621700000000 ] - [ 0.0000503200000000, 0.0000000000000000, -0.0010195300000000 ] - [ 0.0004668100000000, 0.0001676100000000, -0.0009769100000000 ] - [ 0.0004668100000000, -0.0001676100000000, -0.0009769100000000 ] - [ -0.0001711700000000, 0.0007972600000000, 0.0005795100000000 ] - [ -0.0001711700000000, -0.0007972600000000, 0.0005795100000000 ] - [ 0.0001693700000000, 0.0000000000000000, 0.0006091000000000 ] - [ -0.0005627800000000, 0.0000000000000000, -0.0000929100000000 ] - [ -0.0001036300000000, 0.0000806300000000, -0.0000043900000000 ] - [ -0.0001036300000000, -0.0000806300000000, -0.0000043900000000 ] - [ -0.0014038200000000, 0.0004272900000000, -0.0001260500000000 ] - [ -0.0014038200000000, -0.0004272900000000, -0.0001260500000000 ] - [ -0.0011220200000000, 0.0000000000000000, -0.0000989200000000 ] - [ 0.0006507300000000, 0.0000000000000000, -0.0002436600000000 ] - [ 0.0013055500000000, -0.0000933700000000, -0.0001822600000000 ] - [ 0.0013055500000000, 0.0000933700000000, -0.0001822600000000 ] - [ -0.0016129600000000, 0.0002016500000000, 0.0003220300000000 ] - [ -0.0016129600000000, -0.0002016500000000, 0.0003220300000000 ] - [ -0.0013492000000000, 0.0000000000000000, 0.0004208900000000 ]- atom: 94 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0144078700000000, 0.0035503100000000, -0.0084718900000000 ] - [ -0.0142782100000000, 0.0036816900000000, 0.0086973000000000 ] - [ 0.0001515100000000, -0.0078872900000000, 0.0001026600000000 ] - [ -0.0001480900000000, 0.0213722400000000, 0.0002789700000000 ] - [ -0.0013661500000000, -0.0082995200000000, -0.0053938200000000 ] - [ 0.0010229900000000, -0.0083474200000000, 0.0050971400000000 ] - [ 0.0163210900000000, 0.0348859700000000, 0.0051810000000000 ] - [ -0.0155633200000000, 0.0397380800000000, -0.0057190800000000 ] - [ 0.0010411000000000, -0.0269926900000000, 0.0000514300000000 ] - [ -0.0002850100000000, 0.0248634800000000, -0.0004907100000000 ] - [ -0.0060624200000000, -0.0101146900000000, 0.0014513900000000 ] - [ 0.0047290500000000, -0.0101626200000000, -0.0018995700000000 ] - [ -0.0040652300000000, 0.0040887800000000, 0.0078609400000000 ] - [ 0.0011550700000000, 0.0042153900000000, -0.0081853000000000 ] - [ -0.0014242000000000, -0.0087517300000000, -0.0001437300000000 ] - [ -0.0003595800000000, 0.0067154100000000, 0.0005639200000000 ] - [ -0.0017514900000000, -0.0031925000000000, 0.0009281800000000 ] - [ 0.0010326000000000, -0.0032458200000000, 0.0002287700000000 ] - [ 0.0002020800000000, 0.0014021700000000, 0.0000986900000000 ] - [ 0.0002287800000000, -0.0006977200000000, 0.0000907000000000 ] - [ 0.0001557500000000, -0.0007010100000000, 0.0001052400000000 ] - [ -0.0013795500000000, 0.0004407100000000, -0.0005556800000000 ] - [ 0.0010880400000000, 0.0004475000000000, 0.0003175500000000 ] - [ -0.0001504500000000, -0.0008877400000000, -0.0001212700000000 ] - [ 0.0010604300000000, 0.0011006900000000, 0.0000413600000000 ] - [ 0.0005640500000000, -0.0005463200000000, -0.0001073000000000 ] - [ 0.0015161700000000, -0.0005537300000000, 0.0001840300000000 ] - [ -0.0031651300000000, 0.0006439200000000, 0.0000957100000000 ] - [ 0.0019161700000000, 0.0006485900000000, -0.0005552300000000 ] - [ -0.0006289000000000, -0.0012870500000000, -0.0002278500000000 ] - [ -0.0013799800000000, 0.0011328400000000, -0.0001223300000000 ] - [ -0.0024573100000000, -0.0005621800000000, -0.0001640400000000 ] - [ -0.0003766000000000, -0.0005762000000000, -0.0000893200000000 ] - [ -0.0044225600000000, 0.0009326300000000, -0.0002513000000000 ] - [ 0.0037506600000000, 0.0009369700000000, 0.0014124600000000 ] - [ -0.0003430200000000, -0.0018683600000000, 0.0005796200000000 ] - [ 0.0003701700000000, -0.0001745000000000, 0.0003712400000000 ] - [ -0.0009991300000000, -0.0000980300000000, -0.0007765800000000 ] - [ 0.0016380200000000, -0.0001018800000000, 0.0014271900000000 ] - [ -0.0040821900000000, 0.0007953300000000, -0.0038929100000000 ] - [ 0.0041289900000000, 0.0008125900000000, 0.0042688300000000 ] - [ 0.0000169300000000, -0.0003843400000000, 0.0001732300000000 ] - [ -0.0000773200000000, 0.0001006400000000, 0.0001181300000000 ] - [ 0.0001975600000000, 0.0001011800000000, -0.0005615500000000 ] - [ 0.0000614800000000, -0.0002135500000000, -0.0002252900000000 ] - [ -0.0049509900000000, 0.0004209500000000, -0.0039756600000000 ] - [ 0.0047773100000000, 0.0004270800000000, 0.0036575500000000 ] - [ -0.0001057500000000, -0.0004435800000000, -0.0001719400000000 ] - [ -0.0008645800000000, 0.0001189700000000, -0.0002397100000000 ] - [ 0.0015156900000000, 0.0001195600000000, 0.0008936000000000 ] - [ 0.0003257700000000, -0.0002090300000000, 0.0003293900000000 ] - [ 0.0000369800000000, 0.0001658900000000, 0.0001880600000000 ] - [ -0.0008788000000000, -0.0000697100000000, -0.0004844300000000 ] - [ 0.0008964400000000, -0.0000723700000000, 0.0008170100000000 ] - [ 0.0000642200000000, 0.0001240600000000, -0.0002325100000000 ] - [ -0.0000965600000000, -0.0000629200000000, 0.0001256800000000 ] - [ 0.0002190000000000, -0.0000650800000000, -0.0005747800000000 ] - [ -0.0000953100000000, 0.0001221900000000, -0.0001698300000000 ] - [ -0.0006232900000000, -0.0000531900000000, -0.0004821200000000 ] - [ 0.0004007500000000, -0.0000548500000000, 0.0001284000000000 ] - [ -0.0000862200000000, -0.0006529300000000, 0.0021298700000000 ] - [ -0.0004093000000000, -0.0006716700000000, -0.0019658800000000 ] - [ -0.0002513400000000, 0.0013599800000000, 0.0000989200000000 ] - [ -0.0000405600000000, -0.0011878700000000, -0.0007141800000000 ] - [ 0.0011576200000000, 0.0009768000000000, 0.0025626600000000 ] - [ -0.0011416200000000, 0.0009858400000000, -0.0036452800000000 ] - [ -0.0035988200000000, 0.0034408000000000, 0.0248500800000000 ] - [ 0.0038115800000000, 0.0033940900000000, -0.0253302800000000 ] - [ 0.0000796800000000, 0.0023474300000000, -0.0000393600000000 ] - [ 0.0000451700000000, -0.0046771100000000, -0.0001801600000000 ] - [ 0.0020329500000000, 0.0009760300000000, 0.0015679400000000 ] - [ -0.0016587700000000, 0.0009851900000000, -0.0017282600000000 ] - [ 0.0150054400000000, 0.0026935800000000, -0.0069897200000000 ] - [ -0.0150224300000000, 0.0026583000000000, 0.0075753200000000 ] - [ 0.0000958400000000, 0.0022354000000000, 0.0002342100000000 ] - [ -0.0002744400000000, -0.0009663100000000, 0.0000031900000000 ] - [ 0.0026180500000000, 0.0010119000000000, -0.0018154200000000 ] - [ -0.0028750100000000, 0.0010190000000000, 0.0015612300000000 ] - [ 0.0011910500000000, -0.0003141000000000, -0.0003769700000000 ] - [ -0.0024075000000000, -0.0003185500000000, 0.0006695700000000 ] - [ -0.0006153100000000, 0.0005966100000000, 0.0001442200000000 ] - [ 0.0000548300000000, -0.0004868700000000, -0.0000201900000000 ] - [ 0.0012919800000000, 0.0002163500000000, -0.0001982200000000 ] - [ -0.0011237800000000, 0.0002206200000000, 0.0001378500000000 ] - [ -0.0026228600000000, -0.0022527400000000, -0.0002848600000000 ] - [ 0.0045926100000000, -0.0023564600000000, -0.0015727000000000 ] - [ 0.0009688900000000, 0.0047890900000000, -0.0009267400000000 ] - [ 0.0006355800000000, -0.0102878500000000, 0.0005508400000000 ] - [ -0.0006909700000000, 0.0057949600000000, 0.0018977700000000 ] - [ 0.0017991200000000, 0.0058182700000000, -0.0006632100000000 ] - [ -0.0211645000000000, 0.0171906000000000, 0.0087217200000000 ] - [ 0.0221325300000000, 0.0172231500000000, -0.0087505400000000 ] - [ 0.0003442000000000, 0.0101025900000000, 0.0000465300000000 ] - [ 0.0002500600000000, -0.2187433500000000, 0.0006727000000000 ] - [ 0.0076556200000000, 0.0319305800000000, 0.0046857600000000 ] - [ -0.0091167700000000, 0.0316603000000000, -0.0047499300000000 ] - [ 0.0007658600000000, 0.0129626100000000, -0.0199853200000000 ] - [ 0.0025400400000000, 0.0129850100000000, 0.0199061600000000 ] - [ 0.0016416000000000, 0.0082302500000000, -0.0001465100000000 ] - [ -0.0010395400000000, -0.0088506700000000, 0.0005882500000000 ] - [ 0.0001503200000000, 0.0053195800000000, -0.0011045700000000 ] - [ -0.0022103000000000, 0.0053279900000000, 0.0020952900000000 ] - [ -0.0002626400000000, -0.0002084400000000, 0.0000829100000000 ] - [ -0.0001455400000000, 0.0001021800000000, 0.0001104800000000 ] - [ -0.0003718400000000, 0.0001035200000000, 0.0000543500000000 ] - [ 0.0007358400000000, -0.0001347900000000, 0.0003868100000000 ] - [ -0.0007412000000000, -0.0001357400000000, -0.0015080200000000 ] - [ 0.0000008700000000, 0.0002720400000000, -0.0005530700000000 ] - [ 0.0000562000000000, -0.0002270300000000, -0.0000195800000000 ] - [ 0.0003787100000000, 0.0001109800000000, 0.0002382500000000 ] - [ -0.0002498500000000, 0.0001127500000000, -0.0002570900000000 ] - [ 0.0013123200000000, -0.0001532100000000, 0.0000098700000000 ] - [ -0.0009644800000000, -0.0001542000000000, -0.0001822600000000 ] - [ 0.0001773000000000, 0.0002987400000000, -0.0000886000000000 ] - [ 0.0000789000000000, -0.0002403900000000, 0.0002155500000000 ] - [ 0.0009667400000000, 0.0001140800000000, 0.0006251100000000 ] - [ -0.0007481900000000, 0.0001173000000000, -0.0001717200000000 ] - [ 0.0033157600000000, -0.0002824000000000, 0.0014691400000000 ] - [ -0.0036283800000000, -0.0002844900000000, -0.0017183200000000 ] - [ -0.0001489800000000, 0.0005088500000000, -0.0001221800000000 ] - [ -0.0006656200000000, -0.0001161900000000, 0.0001260000000000 ] - [ 0.0007959000000000, 0.0001092000000000, 0.0004690100000000 ] - [ -0.0020192900000000, 0.0001130600000000, -0.0001797600000000 ] - [ 0.0050215600000000, -0.0003246800000000, 0.0015042900000000 ] - [ -0.0049026000000000, -0.0003263000000000, -0.0015835700000000 ] - [ 0.0000713100000000, 0.0005199100000000, -0.0000310700000000 ] - [ 0.0009473200000000, -0.0024953700000000, -0.0009250400000000 ] - [ 0.0007068000000000, 0.0012426500000000, -0.0009757800000000 ] - [ 0.0011985800000000, 0.0012397400000000, -0.0008753900000000 ] - [ 0.0008057500000000, -0.0005291400000000, 0.0005872100000000 ] - [ 0.0002769300000000, -0.0005461400000000, 0.0006379100000000 ] - [ 0.0005436200000000, 0.0010763100000000, 0.0006127100000000 ] - [ 0.0003158600000000, -0.0015380200000000, 0.0000460200000000 ] - [ 0.0002613100000000, 0.0007668100000000, 0.0000499200000000 ] - [ 0.0003798900000000, 0.0007696500000000, 0.0000460100000000 ] - [ -0.0003580800000000, -0.0004441100000000, 0.0000459300000000 ] - [ -0.0012221100000000, -0.0004523100000000, -0.0001638700000000 ] - [ -0.0007881000000000, 0.0008969300000000, -0.0000589600000000 ] - [ 0.0016252600000000, -0.0009345800000000, -0.0001616100000000 ] - [ 0.0017566700000000, 0.0004651100000000, -0.0001307200000000 ] - [ 0.0015067300000000, 0.0004716900000000, -0.0001925500000000 ] - [ -0.0002582300000000, -0.0004248000000000, 0.0007470000000000 ] - [ -0.0018382000000000, -0.0004364000000000, 0.0002460100000000 ] - [ -0.0010449500000000, 0.0008626200000000, 0.0004973200000000 ]- atom: 94 displacement: [ -0.0020604768976038, 0.0000000000000000, 0.0097854195083523 ] forces: - [ 0.0027624400000000, -0.0030699400000000, -0.0060002000000000 ] - [ 0.0027624400000000, 0.0030699400000000, -0.0060002000000000 ] - [ 0.0000051800000000, 0.0000000000000000, -0.0014781300000000 ] - [ -0.0083434700000000, 0.0000000000000000, -0.0126470600000000 ] - [ -0.0019829400000000, -0.0041853400000000, 0.0009279400000000 ] - [ -0.0019829400000000, 0.0041853400000000, 0.0009279400000000 ] - [ -0.0001774700000000, 0.0023234800000000, 0.0178325800000000 ] - [ -0.0001774700000000, -0.0023234800000000, 0.0178325800000000 ] - [ -0.0001021200000000, 0.0000000000000000, 0.0008002500000000 ] - [ 0.0058691000000000, 0.0000000000000000, 0.0071696300000000 ] - [ 0.0000219300000000, 0.0023036600000000, 0.0011760800000000 ] - [ 0.0000219300000000, -0.0023036600000000, 0.0011760800000000 ] - [ 0.0019583900000000, 0.0048705100000000, -0.0036744500000000 ] - [ 0.0019583900000000, -0.0048705100000000, -0.0036744500000000 ] - [ -0.0009961800000000, 0.0000000000000000, -0.0004765900000000 ] - [ 0.0000021500000000, 0.0000000000000000, -0.0114836300000000 ] - [ -0.0002513200000000, -0.0001456500000000, -0.0014353600000000 ] - [ -0.0002513200000000, 0.0001456500000000, -0.0014353600000000 ] - [ 0.0000365900000000, 0.0000000000000000, -0.0000412100000000 ] - [ 0.0001679000000000, -0.0000259400000000, 0.0000690800000000 ] - [ 0.0001679000000000, 0.0000259400000000, 0.0000690800000000 ] - [ -0.0000616300000000, 0.0000515200000000, -0.0002141700000000 ] - [ -0.0000616300000000, -0.0000515200000000, -0.0002141700000000 ] - [ -0.0001183300000000, 0.0000000000000000, -0.0001553200000000 ] - [ 0.0013257900000000, 0.0000000000000000, -0.0000214700000000 ] - [ 0.0011828200000000, -0.0000153800000000, 0.0000567200000000 ] - [ 0.0011828200000000, 0.0000153800000000, 0.0000567200000000 ] - [ -0.0006260500000000, 0.0000408200000000, -0.0000123300000000 ] - [ -0.0006260500000000, -0.0000408200000000, -0.0000123300000000 ] - [ -0.0006816600000000, 0.0000000000000000, -0.0001137400000000 ] - [ -0.0022465700000000, 0.0000000000000000, 0.0002136300000000 ] - [ -0.0014462200000000, -0.0001037700000000, -0.0000515500000000 ] - [ -0.0014462200000000, 0.0001037700000000, -0.0000515500000000 ] - [ -0.0008241200000000, -0.0000241200000000, 0.0005747500000000 ] - [ -0.0008241200000000, 0.0000241200000000, 0.0005747500000000 ] - [ -0.0004891000000000, 0.0000000000000000, 0.0005203700000000 ] - [ -0.0009811800000000, 0.0000000000000000, -0.0008407300000000 ] - [ 0.0003794300000000, -0.0000432000000000, 0.0004135700000000 ] - [ 0.0003794300000000, 0.0000432000000000, 0.0004135700000000 ] - [ 0.0000921600000000, -0.0004120300000000, 0.0004376800000000 ] - [ 0.0000921600000000, 0.0004120300000000, 0.0004376800000000 ] - [ -0.0000669100000000, 0.0000000000000000, 0.0001059400000000 ] - [ 0.0002538300000000, 0.0000056300000000, -0.0009823600000000 ] - [ 0.0002538300000000, -0.0000056300000000, -0.0009823600000000 ] - [ 0.0001274300000000, 0.0000000000000000, -0.0004795000000000 ] - [ -0.0011183600000000, 0.0000155800000000, -0.0010528600000000 ] - [ -0.0011183600000000, -0.0000155800000000, -0.0010528600000000 ] - [ -0.0002860600000000, 0.0000000000000000, -0.0003424000000000 ] - [ 0.0006717800000000, 0.0000327100000000, 0.0007034600000000 ] - [ 0.0006717800000000, -0.0000327100000000, 0.0007034600000000 ] - [ 0.0004392900000000, 0.0000000000000000, 0.0004604100000000 ] - [ 0.0006723200000000, 0.0000000000000000, 0.0008724300000000 ] - [ 0.0001909700000000, 0.0000136700000000, 0.0003433300000000 ] - [ 0.0001909700000000, -0.0000136700000000, 0.0003433300000000 ] - [ -0.0000593500000000, 0.0000000000000000, -0.0004192900000000 ] - [ 0.0000388900000000, -0.0000300400000000, -0.0002968900000000 ] - [ 0.0000388900000000, 0.0000300400000000, -0.0002968900000000 ] - [ -0.0002826400000000, 0.0000000000000000, -0.0003515300000000 ] - [ -0.0001003900000000, -0.0000004000000000, -0.0001739700000000 ] - [ -0.0001003900000000, 0.0000004000000000, -0.0001739700000000 ] - [ 0.0008700700000000, -0.0003695100000000, 0.0051542600000000 ] - [ 0.0008700700000000, 0.0003695100000000, 0.0051542600000000 ] - [ 0.0001209100000000, 0.0000000000000000, 0.0016010300000000 ] - [ 0.0063981600000000, 0.0000000000000000, 0.0221669400000000 ] - [ 0.0005543800000000, 0.0003209300000000, 0.0009847600000000 ] - [ 0.0005543800000000, -0.0003209300000000, 0.0009847600000000 ] - [ 0.0004459600000000, 0.0072042100000000, 0.0041750400000000 ] - [ 0.0004459600000000, -0.0072042100000000, 0.0041750400000000 ] - [ 0.0001487400000000, 0.0000000000000000, 0.0001919200000000 ] - [ 0.0113030300000000, 0.0000000000000000, -0.0044808200000000 ] - [ 0.0010255800000000, 0.0000976200000000, -0.0020705000000000 ] - [ 0.0010255800000000, -0.0000976200000000, -0.0020705000000000 ] - [ -0.0004903700000000, -0.0021554100000000, -0.0017038100000000 ] - [ -0.0004903700000000, 0.0021554100000000, -0.0017038100000000 ] - [ 0.0006198000000000, 0.0000000000000000, -0.0004529000000000 ] - [ -0.0067702000000000, 0.0000000000000000, 0.0083615700000000 ] - [ -0.0008345200000000, -0.0001582500000000, 0.0005550900000000 ] - [ -0.0008345200000000, 0.0001582500000000, 0.0005550900000000 ] - [ -0.0017315600000000, -0.0001982400000000, 0.0004173900000000 ] - [ -0.0017315600000000, 0.0001982400000000, 0.0004173900000000 ] - [ -0.0009241100000000, 0.0000000000000000, 0.0002277500000000 ] - [ 0.0003996100000000, 0.0000000000000000, 0.0009296900000000 ] - [ -0.0000042400000000, 0.0000147300000000, 0.0001223400000000 ] - [ -0.0000042400000000, -0.0000147300000000, 0.0001223400000000 ] - [ -0.0002083500000000, -0.0004123000000000, 0.0002147100000000 ] - [ -0.0002083500000000, 0.0004123000000000, 0.0002147100000000 ] - [ 0.0006758300000000, 0.0000000000000000, -0.0004664700000000 ] - [ -0.0069752000000000, 0.0000000000000000, 0.0095976600000000 ] - [ 0.0003102200000000, 0.0018678400000000, 0.0008068900000000 ] - [ 0.0003102200000000, -0.0018678400000000, 0.0008068900000000 ] - [ -0.0060509700000000, 0.0116642200000000, 0.0001967800000000 ] - [ -0.0060509700000000, -0.0116642200000000, 0.0001967800000000 ] - [ 0.0005457200000000, 0.0000000000000000, 0.0004258900000000 ] - [ 0.0141155800000000, 0.0000000000000000, -0.0774598700000000 ] - [ -0.0018739000000000, -0.0029455600000000, -0.0009056400000000 ] - [ -0.0018739000000000, 0.0029455600000000, -0.0009056400000000 ] - [ 0.0014751700000000, -0.0162013100000000, 0.0078930100000000 ] - [ 0.0014751700000000, 0.0162013100000000, 0.0078930100000000 ] - [ 0.0011536300000000, 0.0000000000000000, -0.0010976800000000 ] - [ -0.0054980700000000, 0.0000000000000000, 0.0081141000000000 ] - [ -0.0017780500000000, -0.0009741500000000, 0.0009896600000000 ] - [ -0.0017780500000000, 0.0009741500000000, 0.0009896600000000 ] - [ -0.0001039500000000, 0.0000000000000000, 0.0002902600000000 ] - [ -0.0002417500000000, 0.0000122400000000, 0.0001284200000000 ] - [ -0.0002417500000000, -0.0000122400000000, 0.0001284200000000 ] - [ 0.0000535400000000, -0.0000060900000000, -0.0003658100000000 ] - [ 0.0000535400000000, 0.0000060900000000, -0.0003658100000000 ] - [ 0.0000200600000000, 0.0000000000000000, -0.0004684100000000 ] - [ 0.0001302000000000, 0.0000000000000000, 0.0001592300000000 ] - [ 0.0000313700000000, 0.0000018000000000, -0.0000040000000000 ] - [ 0.0000313700000000, -0.0000018000000000, -0.0000040000000000 ] - [ -0.0001023700000000, -0.0000205700000000, -0.0003164300000000 ] - [ -0.0001023700000000, 0.0000205700000000, -0.0003164300000000 ] - [ 0.0000895000000000, 0.0000000000000000, -0.0001877000000000 ] - [ -0.0003771400000000, 0.0000000000000000, -0.0002503800000000 ] - [ -0.0000652500000000, -0.0000001500000000, 0.0000913800000000 ] - [ -0.0000652500000000, 0.0000001500000000, 0.0000913800000000 ] - [ -0.0001281400000000, 0.0000314100000000, -0.0003523000000000 ] - [ -0.0001281400000000, -0.0000314100000000, -0.0003523000000000 ] - [ -0.0000448300000000, 0.0000000000000000, -0.0001366200000000 ] - [ 0.0007866400000000, 0.0000000000000000, 0.0008555300000000 ] - [ -0.0006222700000000, 0.0000491500000000, 0.0001233300000000 ] - [ -0.0006222700000000, -0.0000491500000000, 0.0001233300000000 ] - [ 0.0007602700000000, 0.0000043600000000, 0.0007224000000000 ] - [ 0.0007602700000000, -0.0000043600000000, 0.0007224000000000 ] - [ 0.0002153000000000, 0.0000000000000000, 0.0001744000000000 ] - [ 0.0010858800000000, 0.0000000000000000, -0.0009277400000000 ] - [ 0.0010105600000000, -0.0000222100000000, -0.0009227000000000 ] - [ 0.0010105600000000, 0.0000222100000000, -0.0009227000000000 ] - [ 0.0005974100000000, -0.0001438600000000, 0.0005791600000000 ] - [ 0.0005974100000000, 0.0001438600000000, 0.0005791600000000 ] - [ 0.0005533800000000, 0.0000000000000000, 0.0005964300000000 ] - [ 0.0003025500000000, 0.0000000000000000, 0.0000352600000000 ] - [ 0.0002940900000000, 0.0000321200000000, 0.0000283400000000 ] - [ 0.0002940900000000, -0.0000321200000000, 0.0000283400000000 ] - [ -0.0008452800000000, -0.0000162000000000, -0.0000931800000000 ] - [ -0.0008452800000000, 0.0000162000000000, -0.0000931800000000 ] - [ -0.0008139100000000, 0.0000000000000000, -0.0000775500000000 ] - [ 0.0016801500000000, 0.0000000000000000, -0.0002388800000000 ] - [ 0.0016086500000000, 0.0000333400000000, -0.0001916100000000 ] - [ 0.0016086500000000, -0.0000333400000000, -0.0001916100000000 ] - [ -0.0010105700000000, -0.0000288300000000, 0.0004695000000000 ] - [ -0.0010105700000000, 0.0000288300000000, 0.0004695000000000 ] - [ -0.0010250000000000, 0.0000000000000000, 0.0004903000000000 ]- atom: 94 displacement: [ 0.0020604768976038, 0.0000000000000000, -0.0097854195083523 ] forces: - [ -0.0023517900000000, 0.0030993400000000, 0.0061447100000000 ] - [ -0.0023517900000000, -0.0030993400000000, 0.0061447100000000 ] - [ 0.0003802000000000, 0.0000000000000000, 0.0016529200000000 ] - [ 0.0083153600000000, 0.0000000000000000, 0.0132310100000000 ] - [ 0.0016707000000000, 0.0041567300000000, -0.0011452200000000 ] - [ 0.0016707000000000, -0.0041567300000000, -0.0011452200000000 ] - [ 0.0023368600000000, -0.0021790700000000, -0.0176276100000000 ] - [ 0.0023368600000000, 0.0021790700000000, -0.0176276100000000 ] - [ 0.0021581500000000, 0.0000000000000000, -0.0007340000000000 ] - [ -0.0068206300000000, 0.0000000000000000, -0.0075883400000000 ] - [ -0.0012686900000000, -0.0023004200000000, -0.0016363300000000 ] - [ -0.0012686900000000, 0.0023004200000000, -0.0016363300000000 ] - [ -0.0047796300000000, -0.0048181100000000, 0.0034558100000000 ] - [ -0.0047796300000000, 0.0048181100000000, 0.0034558100000000 ] - [ -0.0018439700000000, 0.0000000000000000, 0.0002265100000000 ] - [ -0.0007410400000000, 0.0000000000000000, 0.0125340000000000 ] - [ -0.0004609100000000, 0.0001222000000000, 0.0025811200000000 ] - [ -0.0004609100000000, -0.0001222000000000, 0.0025811200000000 ] - [ 0.0003150500000000, 0.0000000000000000, 0.0002231400000000 ] - [ 0.0001960600000000, 0.0000246800000000, 0.0001215900000000 ] - [ 0.0001960600000000, -0.0000246800000000, 0.0001215900000000 ] - [ -0.0002601900000000, -0.0000480800000000, -0.0000356100000000 ] - [ -0.0002601900000000, 0.0000480800000000, -0.0000356100000000 ] - [ -0.0002026400000000, 0.0000000000000000, -0.0000952800000000 ] - [ 0.0007372000000000, 0.0000000000000000, 0.0001036600000000 ] - [ 0.0008875900000000, 0.0000127300000000, 0.0000223800000000 ] - [ 0.0008875900000000, -0.0000127300000000, 0.0000223800000000 ] - [ -0.0006639400000000, -0.0000397100000000, -0.0004375700000000 ] - [ -0.0006639400000000, 0.0000397100000000, -0.0004375700000000 ] - [ -0.0006022000000000, 0.0000000000000000, -0.0003383000000000 ] - [ -0.0006100600000000, 0.0000000000000000, -0.0004721900000000 ] - [ -0.0013968000000000, 0.0001007900000000, -0.0002061200000000 ] - [ -0.0013968000000000, -0.0001007900000000, -0.0002061200000000 ] - [ 0.0001068400000000, 0.0000240900000000, 0.0005700700000000 ] - [ 0.0001068400000000, -0.0000240900000000, 0.0005700700000000 ] - [ -0.0002266800000000, 0.0000000000000000, 0.0006297900000000 ] - [ 0.0016233800000000, 0.0000000000000000, 0.0014978000000000 ] - [ 0.0002678100000000, 0.0000425200000000, 0.0002447200000000 ] - [ 0.0002678100000000, -0.0000425200000000, 0.0002447200000000 ] - [ -0.0000847200000000, 0.0004079300000000, -0.0001145000000000 ] - [ -0.0000847200000000, -0.0004079300000000, -0.0001145000000000 ] - [ 0.0000844200000000, 0.0000000000000000, 0.0002265500000000 ] - [ -0.0001294600000000, -0.0000053200000000, 0.0005277100000000 ] - [ -0.0001294600000000, 0.0000053200000000, 0.0005277100000000 ] - [ -0.0000044800000000, 0.0000000000000000, 0.0000280400000000 ] - [ 0.0008879900000000, -0.0000190800000000, 0.0006919400000000 ] - [ 0.0008879900000000, 0.0000190800000000, 0.0006919400000000 ] - [ 0.0000581200000000, 0.0000000000000000, -0.0000155400000000 ] - [ -0.0000243800000000, -0.0000322600000000, -0.0000427100000000 ] - [ -0.0000243800000000, 0.0000322600000000, -0.0000427100000000 ] - [ 0.0002060700000000, 0.0000000000000000, 0.0001967300000000 ] - [ -0.0006629200000000, 0.0000000000000000, -0.0005405200000000 ] - [ -0.0001706400000000, -0.0000141000000000, -0.0000078800000000 ] - [ -0.0001706400000000, 0.0000141000000000, -0.0000078800000000 ] - [ 0.0001747200000000, 0.0000000000000000, -0.0000184400000000 ] - [ 0.0000824200000000, 0.0000293200000000, -0.0001505200000000 ] - [ 0.0000824200000000, -0.0000293200000000, -0.0001505200000000 ] - [ 0.0000471400000000, 0.0000000000000000, -0.0000107500000000 ] - [ -0.0001257800000000, -0.0000000600000000, -0.0001823200000000 ] - [ -0.0001257800000000, 0.0000000600000000, -0.0001823200000000 ] - [ -0.0013840600000000, 0.0003617000000000, -0.0049702400000000 ] - [ -0.0013840600000000, -0.0003617000000000, -0.0049702400000000 ] - [ -0.0006278400000000, 0.0000000000000000, -0.0014008100000000 ] - [ -0.0062889200000000, 0.0000000000000000, -0.0228598400000000 ] - [ -0.0005516100000000, -0.0003178100000000, -0.0020978000000000 ] - [ -0.0005516100000000, 0.0003178100000000, -0.0020978000000000 ] - [ -0.0003544300000000, -0.0072881600000000, -0.0042016400000000 ] - [ -0.0003544300000000, 0.0072881600000000, -0.0042016400000000 ] - [ -0.0000157400000000, 0.0000000000000000, -0.0001961700000000 ] - [ -0.0109110900000000, 0.0000000000000000, 0.0042297300000000 ] - [ -0.0006699400000000, -0.0000965100000000, 0.0018832300000000 ] - [ -0.0006699400000000, 0.0000965100000000, 0.0018832300000000 ] - [ 0.0007414700000000, 0.0021767200000000, 0.0021195900000000 ] - [ 0.0007414700000000, -0.0021767200000000, 0.0021195900000000 ] - [ -0.0003927400000000, 0.0000000000000000, 0.0008937200000000 ] - [ 0.0064743500000000, 0.0000000000000000, -0.0086003300000000 ] - [ 0.0005437500000000, 0.0001598800000000, -0.0007819900000000 ] - [ 0.0005437500000000, -0.0001598800000000, -0.0007819900000000 ] - [ 0.0004959600000000, 0.0001951600000000, -0.0001328100000000 ] - [ 0.0004959600000000, -0.0001951600000000, -0.0001328100000000 ] - [ -0.0003043300000000, 0.0000000000000000, 0.0000594900000000 ] - [ -0.0002055000000000, 0.0000000000000000, -0.0009897100000000 ] - [ 0.0001725000000000, -0.0000126000000000, -0.0001807800000000 ] - [ 0.0001725000000000, 0.0000126000000000, -0.0001807800000000 ] - [ 0.0021123900000000, 0.0003785300000000, -0.0020550700000000 ] - [ 0.0021123900000000, -0.0003785300000000, -0.0020550700000000 ] - [ 0.0012276300000000, 0.0000000000000000, -0.0013802400000000 ] - [ 0.0078842700000000, 0.0000000000000000, -0.0081895800000000 ] - [ 0.0007842000000000, -0.0018532100000000, 0.0004129800000000 ] - [ 0.0007842000000000, 0.0018532100000000, 0.0004129800000000 ] - [ 0.0066757900000000, -0.0116861800000000, -0.0000392400000000 ] - [ 0.0066757900000000, 0.0116861800000000, -0.0000392400000000 ] - [ 0.0000879600000000, 0.0000000000000000, -0.0003179900000000 ] - [ -0.0163561900000000, 0.0000000000000000, 0.0758854400000000 ] - [ 0.0002619000000000, 0.0028326200000000, 0.0007537400000000 ] - [ 0.0002619000000000, -0.0028326200000000, 0.0007537400000000 ] - [ 0.0018005100000000, 0.0159970500000000, -0.0081692200000000 ] - [ 0.0018005100000000, -0.0159970500000000, -0.0081692200000000 ] - [ 0.0021082900000000, 0.0000000000000000, 0.0007558700000000 ] - [ 0.0034732100000000, 0.0000000000000000, -0.0072643500000000 ] - [ -0.0003101500000000, 0.0009896300000000, 0.0000153500000000 ] - [ -0.0003101500000000, -0.0009896300000000, 0.0000153500000000 ] - [ -0.0003983000000000, 0.0000000000000000, -0.0000924800000000 ] - [ -0.0002692500000000, -0.0000115700000000, 0.0000491900000000 ] - [ -0.0002692500000000, 0.0000115700000000, 0.0000491900000000 ] - [ -0.0000462900000000, 0.0000056100000000, -0.0007314600000000 ] - [ -0.0000462900000000, -0.0000056100000000, -0.0007314600000000 ] - [ -0.0000106500000000, 0.0000000000000000, -0.0006234600000000 ] - [ 0.0000219900000000, 0.0000000000000000, -0.0001840400000000 ] - [ 0.0001065000000000, -0.0000014200000000, -0.0000160400000000 ] - [ 0.0001065000000000, 0.0000014200000000, -0.0000160400000000 ] - [ 0.0004625300000000, 0.0000200300000000, 0.0001353900000000 ] - [ 0.0004625300000000, -0.0000200300000000, 0.0001353900000000 ] - [ 0.0002759000000000, 0.0000000000000000, 0.0000078100000000 ] - [ 0.0006038000000000, 0.0000000000000000, 0.0007043100000000 ] - [ 0.0002854100000000, 0.0000009100000000, 0.0003590100000000 ] - [ 0.0002854100000000, -0.0000009100000000, 0.0003590100000000 ] - [ -0.0001428900000000, -0.0000313400000000, 0.0001191700000000 ] - [ -0.0001428900000000, 0.0000313400000000, 0.0001191700000000 ] - [ -0.0002319400000000, 0.0000000000000000, -0.0001002300000000 ] - [ -0.0020008300000000, 0.0000000000000000, -0.0005765400000000 ] - [ -0.0006026700000000, -0.0000478500000000, 0.0001606000000000 ] - [ -0.0006026700000000, 0.0000478500000000, 0.0001606000000000 ] - [ -0.0005895200000000, -0.0000037600000000, -0.0007753100000000 ] - [ -0.0005895200000000, 0.0000037600000000, -0.0007753100000000 ] - [ -0.0000467400000000, 0.0000000000000000, -0.0002301000000000 ] - [ 0.0008299400000000, 0.0000000000000000, -0.0009214700000000 ] - [ 0.0009056200000000, 0.0000235500000000, -0.0009271300000000 ] - [ 0.0009056200000000, -0.0000235500000000, -0.0009271300000000 ] - [ 0.0005012000000000, 0.0001375300000000, 0.0006470000000000 ] - [ 0.0005012000000000, -0.0001375300000000, 0.0006470000000000 ] - [ 0.0005424500000000, 0.0000000000000000, 0.0006289300000000 ] - [ 0.0003497400000000, 0.0000000000000000, 0.0000613800000000 ] - [ 0.0003570900000000, -0.0000320100000000, 0.0000677400000000 ] - [ 0.0003570900000000, 0.0000320100000000, 0.0000677400000000 ] - [ -0.0007222400000000, 0.0000116500000000, -0.0000244200000000 ] - [ -0.0007222400000000, -0.0000116500000000, -0.0000244200000000 ] - [ -0.0007539200000000, 0.0000000000000000, -0.0000399400000000 ] - [ 0.0015926500000000, 0.0000000000000000, -0.0000816300000000 ] - [ 0.0016605400000000, -0.0000346400000000, -0.0001304900000000 ] - [ 0.0016605400000000, 0.0000346400000000, -0.0001304900000000 ] - [ -0.0010713000000000, 0.0000304500000000, 0.0005264800000000 ] - [ -0.0010713000000000, -0.0000304500000000, 0.0005264800000000 ] - [ -0.0010572600000000, 0.0000000000000000, 0.0005064700000000 ]- atom: 97 displacement: [ 0.0099999983408567, 0.0000000000000000, 0.0000057604567923 ] forces: - [ 0.0095067500000000, 0.0000000000000000, 0.0100864300000000 ] - [ 0.0024770100000000, 0.0004126000000000, 0.0023180500000000 ] - [ 0.0024770100000000, -0.0004126000000000, 0.0023180500000000 ] - [ 0.0217191800000000, 0.0000872500000000, 0.0037463800000000 ] - [ 0.0005643900000000, 0.0000000000000000, -0.0015236000000000 ] - [ 0.0217191800000000, -0.0000872500000000, 0.0037463800000000 ] - [ 0.0186867500000000, 0.0000000000000000, 0.0006691200000000 ] - [ 0.0034576600000000, 0.0007889700000000, 0.0009790100000000 ] - [ 0.0034576600000000, -0.0007889700000000, 0.0009790100000000 ] - [ 0.0006542500000000, -0.0014356500000000, 0.0071790400000000 ] - [ -0.0006764100000000, 0.0000000000000000, 0.0004347300000000 ] - [ 0.0006542500000000, 0.0014356500000000, 0.0071790400000000 ] - [ 0.0123406600000000, 0.0000000000000000, -0.0000792700000000 ] - [ 0.0018457700000000, 0.0074659100000000, -0.0002195900000000 ] - [ 0.0018457700000000, -0.0074659100000000, -0.0002195900000000 ] - [ -0.0003855600000000, 0.0001989900000000, -0.0033012600000000 ] - [ -0.0006581200000000, 0.0000000000000000, 0.0002000400000000 ] - [ -0.0003855600000000, -0.0001989900000000, -0.0033012600000000 ] - [ -0.0012746000000000, 0.0005277900000000, -0.0005027900000000 ] - [ -0.0006594800000000, 0.0000000000000000, -0.0002385300000000 ] - [ -0.0012746000000000, -0.0005277900000000, -0.0005027900000000 ] - [ -0.0030980000000000, 0.0000000000000000, -0.0003259900000000 ] - [ -0.0010176100000000, 0.0002446700000000, -0.0002865000000000 ] - [ -0.0010176100000000, -0.0002446700000000, -0.0002865000000000 ] - [ -0.0004006400000000, 0.0003614400000000, 0.0000493600000000 ] - [ 0.0002017500000000, 0.0000000000000000, 0.0000090200000000 ] - [ -0.0004006400000000, -0.0003614400000000, 0.0000493600000000 ] - [ -0.0029515100000000, 0.0000000000000000, -0.0010983800000000 ] - [ -0.0009768100000000, 0.0004451300000000, -0.0003238600000000 ] - [ -0.0009768100000000, -0.0004451300000000, -0.0003238600000000 ] - [ -0.0038759800000000, 0.0001119600000000, -0.0004048200000000 ] - [ -0.0026007800000000, 0.0000000000000000, -0.0003403300000000 ] - [ -0.0038759800000000, -0.0001119600000000, -0.0004048200000000 ] - [ -0.0035823500000000, 0.0000000000000000, 0.0000767500000000 ] - [ -0.0005921700000000, 0.0006221400000000, 0.0005210500000000 ] - [ -0.0005921700000000, -0.0006221400000000, 0.0005210500000000 ] - [ -0.0015132500000000, -0.0002199700000000, -0.0010348500000000 ] - [ -0.0000677000000000, 0.0000000000000000, 0.0000121900000000 ] - [ -0.0015132500000000, 0.0002199700000000, -0.0010348500000000 ] - [ -0.0027922300000000, 0.0000000000000000, -0.0024224200000000 ] - [ 0.0001476900000000, 0.0000559100000000, 0.0003038800000000 ] - [ 0.0001476900000000, -0.0000559100000000, 0.0003038800000000 ] - [ -0.0004979700000000, 0.0000000000000000, 0.0038117600000000 ] - [ -0.0000470500000000, 0.0001431800000000, 0.0001175600000000 ] - [ -0.0000470500000000, -0.0001431800000000, 0.0001175600000000 ] - [ -0.0007825200000000, 0.0000000000000000, -0.0002916400000000 ] - [ 0.0003351700000000, 0.0000926100000000, 0.0001985300000000 ] - [ 0.0003351700000000, -0.0000926100000000, 0.0001985300000000 ] - [ -0.0026769400000000, 0.0000000000000000, -0.0046390700000000 ] - [ 0.0000333300000000, 0.0001234700000000, 0.0001059600000000 ] - [ 0.0000333300000000, -0.0001234700000000, 0.0001059600000000 ] - [ -0.0008116800000000, -0.0000327200000000, -0.0002596900000000 ] - [ -0.0004127000000000, 0.0000000000000000, -0.0000993600000000 ] - [ -0.0008116800000000, 0.0000327200000000, -0.0002596900000000 ] - [ -0.0001971300000000, -0.0001068100000000, -0.0000954500000000 ] - [ -0.0000776000000000, 0.0000000000000000, 0.0000045000000000 ] - [ -0.0001971300000000, 0.0001068100000000, -0.0000954500000000 ] - [ -0.0009071800000000, 0.0000078400000000, -0.0006714600000000 ] - [ -0.0005775100000000, 0.0000000000000000, -0.0004961300000000 ] - [ -0.0009071800000000, -0.0000078400000000, -0.0006714600000000 ] - [ -0.0043678800000000, 0.0000000000000000, -0.0172552700000000 ] - [ -0.0015298100000000, -0.0005725500000000, -0.0029860600000000 ] - [ -0.0015298100000000, 0.0005725500000000, -0.0029860600000000 ] - [ 0.0008915900000000, 0.0036301700000000, 0.0062011000000000 ] - [ -0.0000495600000000, 0.0000000000000000, 0.0000641100000000 ] - [ 0.0008915900000000, -0.0036301700000000, 0.0062011000000000 ] - [ 0.0006004400000000, 0.0000000000000000, 0.0026042900000000 ] - [ -0.0005545500000000, -0.0000911700000000, -0.0009320000000000 ] - [ -0.0005545500000000, 0.0000911700000000, -0.0009320000000000 ] - [ 0.0053800600000000, 0.0072514800000000, -0.0060401800000000 ] - [ 0.0002799400000000, 0.0000000000000000, -0.0001716700000000 ] - [ 0.0053800600000000, -0.0072514800000000, -0.0060401800000000 ] - [ 0.0119070300000000, 0.0000000000000000, 0.0141830000000000 ] - [ -0.0011500400000000, -0.0004628200000000, 0.0009449800000000 ] - [ -0.0011500400000000, 0.0004628200000000, 0.0009449800000000 ] - [ 0.0007684700000000, -0.0000399800000000, -0.0004225100000000 ] - [ 0.0001122400000000, 0.0000000000000000, 0.0000080200000000 ] - [ 0.0007684700000000, 0.0000399800000000, -0.0004225100000000 ] - [ 0.0141901900000000, 0.0000000000000000, 0.0015002700000000 ] - [ -0.0005733900000000, -0.0004637600000000, 0.0000269600000000 ] - [ -0.0005733900000000, 0.0004637600000000, 0.0000269600000000 ] - [ 0.0010991000000000, 0.0000473800000000, 0.0002241600000000 ] - [ 0.0007133200000000, 0.0000000000000000, -0.0000066400000000 ] - [ 0.0010991000000000, -0.0000473800000000, 0.0002241600000000 ] - [ -0.0023559900000000, 0.0000000000000000, -0.0002695800000000 ] - [ -0.0000764500000000, 0.0009505800000000, -0.0003410500000000 ] - [ -0.0000764500000000, -0.0009505800000000, -0.0003410500000000 ] - [ 0.0042647200000000, -0.0257806400000000, -0.0036455900000000 ] - [ -0.0024835500000000, 0.0000000000000000, 0.0013720800000000 ] - [ 0.0042647200000000, 0.0257806400000000, -0.0036455900000000 ] - [ -0.0013929200000000, 0.0000000000000000, -0.0050389400000000 ] - [ -0.0008799100000000, 0.0010088100000000, -0.0009292400000000 ] - [ -0.0008799100000000, -0.0010088100000000, -0.0009292400000000 ] - [ -0.0052932500000000, -0.0009565500000000, -0.0011289400000000 ] - [ -0.0013804700000000, 0.0000000000000000, -0.0006715000000000 ] - [ -0.0052932500000000, 0.0009565500000000, -0.0011289400000000 ] - [ -0.1018563900000000, 0.0000000000000000, -0.0002958500000000 ] - [ -0.0025958500000000, 0.0071004000000000, -0.0019970500000000 ] - [ -0.0025958500000000, -0.0071004000000000, -0.0019970500000000 ] - [ -0.0025583200000000, -0.0011172100000000, -0.0007613100000000 ] - [ -0.0015976800000000, 0.0000000000000000, 0.0000194900000000 ] - [ -0.0025583200000000, 0.0011172100000000, -0.0007613100000000 ] - [ 0.0003683700000000, -0.0000475000000000, 0.0010676200000000 ] - [ 0.0000871600000000, 0.0000000000000000, 0.0006396400000000 ] - [ 0.0003683700000000, 0.0000475000000000, 0.0010676200000000 ] - [ 0.0009290800000000, 0.0000000000000000, 0.0002618200000000 ] - [ 0.0002253000000000, -0.0001013400000000, -0.0002224800000000 ] - [ 0.0002253000000000, 0.0001013400000000, -0.0002224800000000 ] - [ 0.0009268000000000, -0.0000606500000000, 0.0002629500000000 ] - [ 0.0005896200000000, 0.0000000000000000, 0.0001616200000000 ] - [ 0.0009268000000000, 0.0000606500000000, 0.0002629500000000 ] - [ 0.0035282300000000, 0.0000000000000000, 0.0019811000000000 ] - [ 0.0005902000000000, -0.0001293300000000, -0.0000266500000000 ] - [ 0.0005902000000000, 0.0001293300000000, -0.0000266500000000 ] - [ 0.0013555600000000, -0.0000026700000000, 0.0003563600000000 ] - [ 0.0008026300000000, 0.0000000000000000, 0.0003189700000000 ] - [ 0.0013555600000000, 0.0000026700000000, 0.0003563600000000 ] - [ 0.0026074400000000, 0.0000000000000000, 0.0013519000000000 ] - [ -0.0000982800000000, -0.0001362900000000, -0.0002032600000000 ] - [ -0.0000982800000000, 0.0001362900000000, -0.0002032600000000 ] - [ 0.0016075300000000, 0.0001406300000000, 0.0005870200000000 ] - [ 0.0002222400000000, 0.0000000000000000, 0.0001216400000000 ] - [ 0.0016075300000000, -0.0001406300000000, 0.0005870200000000 ] - [ 0.0028075600000000, 0.0000000000000000, -0.0019978000000000 ] - [ -0.0000348100000000, -0.0001655500000000, -0.0004090500000000 ] - [ -0.0000348100000000, 0.0001655500000000, -0.0004090500000000 ] - [ 0.0016160600000000, -0.0009563100000000, -0.0009259300000000 ] - [ 0.0013048600000000, 0.0000000000000000, -0.0009348800000000 ] - [ 0.0016160600000000, 0.0009563100000000, -0.0009259300000000 ] - [ 0.0016624000000000, 0.0000000000000000, 0.0005815900000000 ] - [ 0.0011013500000000, 0.0000633200000000, 0.0006052600000000 ] - [ 0.0011013500000000, -0.0000633200000000, 0.0006052600000000 ] - [ 0.0009467100000000, -0.0007008500000000, 0.0002030900000000 ] - [ 0.0006626800000000, 0.0000000000000000, 0.0001155800000000 ] - [ 0.0009467100000000, 0.0007008500000000, 0.0002030900000000 ] - [ 0.0002010200000000, 0.0000000000000000, 0.0001928200000000 ] - [ -0.0004561700000000, -0.0001227400000000, -0.0000158700000000 ] - [ -0.0004561700000000, 0.0001227400000000, -0.0000158700000000 ] - [ 0.0023572500000000, -0.0004054600000000, -0.0001351100000000 ] - [ 0.0020297800000000, 0.0000000000000000, -0.0001344200000000 ] - [ 0.0023572500000000, 0.0004054600000000, -0.0001351100000000 ] - [ -0.0000452700000000, 0.0000000000000000, 0.0008918800000000 ] - [ -0.0008169200000000, -0.0002128700000000, 0.0005526500000000 ] - [ -0.0008169200000000, 0.0002128700000000, 0.0005526500000000 ]- atom: 97 displacement: [ -0.0099999983408567, 0.0000000000000000, -0.0000057604567923 ] forces: - [ -0.0091468100000000, 0.0000000000000000, -0.0100322500000000 ] - [ -0.0021124300000000, -0.0004157500000000, -0.0021419700000000 ] - [ -0.0021124300000000, 0.0004157500000000, -0.0021419700000000 ] - [ -0.0223048900000000, -0.0000487700000000, -0.0040008800000000 ] - [ -0.0008759900000000, 0.0000000000000000, 0.0012813200000000 ] - [ -0.0223048900000000, 0.0000487700000000, -0.0040008800000000 ] - [ -0.0166357800000000, 0.0000000000000000, -0.0009277600000000 ] - [ -0.0014001500000000, -0.0007501000000000, -0.0009096100000000 ] - [ -0.0014001500000000, 0.0007501000000000, -0.0009096100000000 ] - [ -0.0018931700000000, 0.0014508700000000, -0.0076244500000000 ] - [ -0.0005977700000000, 0.0000000000000000, -0.0008941000000000 ] - [ -0.0018931700000000, -0.0014508700000000, -0.0076244500000000 ] - [ -0.0175116600000000, 0.0000000000000000, 0.0008321200000000 ] - [ -0.0047147600000000, -0.0074929100000000, -0.0000310100000000 ] - [ -0.0047147600000000, 0.0074929100000000, -0.0000310100000000 ] - [ -0.0003148000000000, -0.0001998200000000, 0.0044829700000000 ] - [ -0.0000416300000000, 0.0000000000000000, 0.0009583500000000 ] - [ -0.0003148000000000, 0.0001998200000000, 0.0044829700000000 ] - [ 0.0016479400000000, -0.0005328500000000, 0.0006938400000000 ] - [ 0.0010306700000000, 0.0000000000000000, 0.0004317300000000 ] - [ 0.0016479400000000, 0.0005328500000000, 0.0006938400000000 ] - [ 0.0028060700000000, 0.0000000000000000, 0.0000745700000000 ] - [ 0.0007020900000000, -0.0002492400000000, 0.0000363900000000 ] - [ 0.0007020900000000, 0.0002492400000000, 0.0000363900000000 ] - [ 0.0024812300000000, -0.0003666800000000, 0.0000340300000000 ] - [ 0.0018766500000000, 0.0000000000000000, 0.0000717200000000 ] - [ 0.0024812300000000, 0.0003666800000000, 0.0000340300000000 ] - [ 0.0016823300000000, 0.0000000000000000, 0.0006563200000000 ] - [ -0.0003036700000000, -0.0004505200000000, -0.0001280900000000 ] - [ -0.0003036700000000, 0.0004505200000000, -0.0001280900000000 ] - [ 0.0010454500000000, -0.0001159500000000, 0.0001490000000000 ] - [ -0.0002308300000000, 0.0000000000000000, 0.0000822000000000 ] - [ 0.0010454500000000, 0.0001159500000000, 0.0001490000000000 ] - [ 0.0028921200000000, 0.0000000000000000, 0.0010747200000000 ] - [ -0.0001240500000000, -0.0006290600000000, 0.0006308900000000 ] - [ -0.0001240500000000, 0.0006290600000000, 0.0006308900000000 ] - [ 0.0021624400000000, 0.0002199200000000, 0.0016935900000000 ] - [ 0.0007182600000000, 0.0000000000000000, 0.0006478400000000 ] - [ 0.0021624400000000, -0.0002199200000000, 0.0016935900000000 ] - [ 0.0028258400000000, 0.0000000000000000, 0.0027688200000000 ] - [ -0.0001322100000000, -0.0000566600000000, 0.0000274700000000 ] - [ -0.0001322100000000, 0.0000566600000000, 0.0000274700000000 ] - [ 0.0006333400000000, 0.0000000000000000, -0.0043197300000000 ] - [ 0.0001692400000000, -0.0001447900000000, -0.0005668800000000 ] - [ 0.0001692400000000, 0.0001447900000000, -0.0005668800000000 ] - [ 0.0005358400000000, 0.0000000000000000, -0.0000780300000000 ] - [ -0.0005662000000000, -0.0000931600000000, -0.0005583100000000 ] - [ -0.0005662000000000, 0.0000931600000000, -0.0005583100000000 ] - [ 0.0033595100000000, 0.0000000000000000, 0.0053615400000000 ] - [ 0.0006106400000000, -0.0001249600000000, 0.0005492400000000 ] - [ 0.0006106400000000, 0.0001249600000000, 0.0005492400000000 ] - [ 0.0008367000000000, 0.0000327300000000, 0.0005987900000000 ] - [ 0.0004365500000000, 0.0000000000000000, 0.0004369600000000 ] - [ 0.0008367000000000, -0.0000327300000000, 0.0005987900000000 ] - [ 0.0003222900000000, 0.0001063500000000, -0.0003584600000000 ] - [ 0.0002018300000000, 0.0000000000000000, -0.0004568400000000 ] - [ 0.0003222900000000, -0.0001063500000000, -0.0003584600000000 ] - [ 0.0006894000000000, -0.0000078000000000, 0.0003213000000000 ] - [ 0.0003583000000000, 0.0000000000000000, 0.0001450400000000 ] - [ 0.0006894000000000, 0.0000078000000000, 0.0003213000000000 ] - [ 0.0039474400000000, 0.0000000000000000, 0.0177148000000000 ] - [ 0.0010265300000000, 0.0005741800000000, 0.0031858800000000 ] - [ 0.0010265300000000, -0.0005741800000000, 0.0031858800000000 ] - [ -0.0009147500000000, -0.0036334200000000, -0.0073189000000000 ] - [ 0.0000520700000000, 0.0000000000000000, -0.0011792900000000 ] - [ -0.0009147500000000, 0.0036334200000000, -0.0073189000000000 ] - [ -0.0005108700000000, 0.0000000000000000, -0.0024545200000000 ] - [ 0.0006952900000000, 0.0000881600000000, 0.0009272800000000 ] - [ 0.0006952900000000, -0.0000881600000000, 0.0009272800000000 ] - [ -0.0049499100000000, -0.0071502300000000, 0.0058010400000000 ] - [ 0.0000710400000000, 0.0000000000000000, -0.0000032900000000 ] - [ -0.0049499100000000, 0.0071502300000000, 0.0058010400000000 ] - [ -0.0119195900000000, 0.0000000000000000, -0.0139984500000000 ] - [ 0.0013848900000000, 0.0004638900000000, -0.0004993300000000 ] - [ 0.0013848900000000, -0.0004638900000000, -0.0004993300000000 ] - [ -0.0010569400000000, 0.0000394300000000, 0.0001785600000000 ] - [ -0.0003996400000000, 0.0000000000000000, -0.0002468900000000 ] - [ -0.0010569400000000, -0.0000394300000000, 0.0001785600000000 ] - [ -0.0156863700000000, 0.0000000000000000, -0.0012350700000000 ] - [ -0.0006462800000000, 0.0004651100000000, 0.0002608900000000 ] - [ -0.0006462800000000, -0.0004651100000000, 0.0002608900000000 ] - [ -0.0009447900000000, -0.0000463500000000, -0.0002820100000000 ] - [ -0.0005528600000000, 0.0000000000000000, -0.0000516800000000 ] - [ -0.0009447900000000, 0.0000463500000000, -0.0002820100000000 ] - [ 0.0042761400000000, 0.0000000000000000, -0.0015896500000000 ] - [ 0.0019917100000000, -0.0009549100000000, -0.0015112500000000 ] - [ 0.0019917100000000, 0.0009549100000000, -0.0015112500000000 ] - [ -0.0031439800000000, 0.0260774500000000, 0.0049077300000000 ] - [ 0.0036055100000000, 0.0000000000000000, -0.0001544600000000 ] - [ -0.0031439800000000, -0.0260774500000000, 0.0049077300000000 ] - [ 0.0020379900000000, 0.0000000000000000, 0.0051260000000000 ] - [ 0.0015216700000000, -0.0010086500000000, 0.0010291600000000 ] - [ 0.0015216700000000, 0.0010086500000000, 0.0010291600000000 ] - [ 0.0037297800000000, 0.0008387900000000, 0.0010945100000000 ] - [ -0.0001948700000000, 0.0000000000000000, 0.0005549200000000 ] - [ 0.0037297800000000, -0.0008387900000000, 0.0010945100000000 ] - [ 0.1081640400000000, 0.0000000000000000, -0.0008879300000000 ] - [ 0.0059154100000000, -0.0071229000000000, 0.0016756300000000 ] - [ 0.0059154100000000, 0.0071229000000000, 0.0016756300000000 ] - [ 0.0004760600000000, 0.0011310500000000, 0.0017650400000000 ] - [ -0.0004875800000000, 0.0000000000000000, 0.0009797100000000 ] - [ 0.0004760600000000, -0.0011310500000000, 0.0017650400000000 ] - [ -0.0008811800000000, 0.0000486800000000, -0.0008920700000000 ] - [ -0.0006016600000000, 0.0000000000000000, -0.0004664400000000 ] - [ -0.0008811800000000, -0.0000486800000000, -0.0008920700000000 ] - [ -0.0009317100000000, 0.0000000000000000, -0.0013681700000000 ] - [ -0.0002179400000000, 0.0001026200000000, -0.0008724600000000 ] - [ -0.0002179400000000, -0.0001026200000000, -0.0008724600000000 ] - [ -0.0007938000000000, 0.0000614800000000, -0.0002880700000000 ] - [ -0.0004577800000000, 0.0000000000000000, -0.0001804800000000 ] - [ -0.0007938000000000, -0.0000614800000000, -0.0002880700000000 ] - [ -0.0032089400000000, 0.0000000000000000, -0.0021835300000000 ] - [ -0.0002280000000000, 0.0001311600000000, -0.0001522500000000 ] - [ -0.0002280000000000, -0.0001311600000000, -0.0001522500000000 ] - [ -0.0011427800000000, 0.0000035400000000, 0.0000934400000000 ] - [ -0.0005865600000000, 0.0000000000000000, 0.0001300100000000 ] - [ -0.0011427800000000, -0.0000035400000000, 0.0000934400000000 ] - [ -0.0029076600000000, 0.0000000000000000, -0.0016047300000000 ] - [ -0.0001809800000000, 0.0001379000000000, -0.0000333500000000 ] - [ -0.0001809800000000, -0.0001379000000000, -0.0000333500000000 ] - [ -0.0028408000000000, -0.0001398300000000, -0.0002987700000000 ] - [ -0.0014561700000000, 0.0000000000000000, 0.0001648800000000 ] - [ -0.0028408000000000, 0.0001398300000000, -0.0002987700000000 ] - [ -0.0026486900000000, 0.0000000000000000, 0.0019796200000000 ] - [ 0.0002079700000000, 0.0001670200000000, 0.0003539200000000 ] - [ 0.0002079700000000, -0.0001670200000000, 0.0003539200000000 ] - [ 0.0002946300000000, 0.0009673900000000, -0.0009235500000000 ] - [ 0.0006096000000000, 0.0000000000000000, -0.0009147400000000 ] - [ 0.0002946300000000, -0.0009673900000000, -0.0009235500000000 ] - [ -0.0005747100000000, 0.0000000000000000, 0.0006447700000000 ] - [ -0.0000072000000000, -0.0000606000000000, 0.0006196100000000 ] - [ -0.0000072000000000, 0.0000606000000000, 0.0006196100000000 ] - [ -0.0003015500000000, 0.0007098900000000, -0.0001093000000000 ] - [ -0.0000141800000000, 0.0000000000000000, -0.0000181300000000 ] - [ -0.0003015500000000, -0.0007098900000000, -0.0001093000000000 ] - [ -0.0017778500000000, 0.0000000000000000, -0.0003138000000000 ] - [ -0.0011138000000000, 0.0001267800000000, -0.0001013000000000 ] - [ -0.0011138000000000, -0.0001267800000000, -0.0001013000000000 ] - [ 0.0009080400000000, 0.0004091500000000, -0.0001872200000000 ] - [ 0.0012375500000000, 0.0000000000000000, -0.0001883000000000 ] - [ 0.0009080400000000, -0.0004091500000000, -0.0001872200000000 ] - [ -0.0020441000000000, 0.0000000000000000, 0.0001006600000000 ] - [ -0.0012665900000000, 0.0002135100000000, 0.0004441300000000 ] - [ -0.0012665900000000, -0.0002135100000000, 0.0004441300000000 ]- atom: 97 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0003251200000000, 0.0059729200000000, 0.0001402300000000 ] - [ -0.0005878300000000, -0.0029594300000000, -0.0013705600000000 ] - [ 0.0010000200000000, -0.0029907100000000, 0.0015571300000000 ] - [ 0.0131201400000000, 0.0494090800000000, 0.0063418100000000 ] - [ -0.0001572300000000, -0.0166749400000000, -0.0001302000000000 ] - [ -0.0121169000000000, 0.0449618600000000, -0.0058463700000000 ] - [ 0.0010786500000000, 0.0190337000000000, -0.0002965700000000 ] - [ 0.0020794600000000, -0.0087475500000000, 0.0042162800000000 ] - [ 0.0000239700000000, -0.0088087900000000, -0.0041060200000000 ] - [ -0.0015350500000000, 0.0028715600000000, 0.0108287400000000 ] - [ -0.0006315300000000, -0.0057682100000000, -0.0002172100000000 ] - [ 0.0003516200000000, 0.0027788800000000, -0.0111855800000000 ] - [ -0.0017374600000000, 0.0323906500000000, 0.0000125100000000 ] - [ 0.0023039900000000, -0.0127568400000000, -0.0018480700000000 ] - [ -0.0050984700000000, -0.0128281500000000, 0.0015872200000000 ] - [ -0.0028023800000000, 0.0036823600000000, -0.0132322300000000 ] - [ -0.0003605800000000, -0.0070070700000000, 0.0005643200000000 ] - [ 0.0020713100000000, 0.0036595100000000, 0.0141674500000000 ] - [ -0.0005354700000000, 0.0003878800000000, -0.0001650200000000 ] - [ 0.0001753100000000, -0.0007629400000000, 0.0000922300000000 ] - [ 0.0008701100000000, 0.0003748200000000, 0.0003430800000000 ] - [ -0.0001864500000000, 0.0008297000000000, -0.0001288100000000 ] - [ 0.0002107700000000, -0.0004122600000000, -0.0000570200000000 ] - [ -0.0005398400000000, -0.0004183000000000, -0.0001947000000000 ] - [ 0.0000133800000000, 0.0004307000000000, -0.0001627000000000 ] - [ 0.0010277800000000, -0.0008537100000000, 0.0000389600000000 ] - [ 0.0020334300000000, 0.0004224500000000, 0.0002418200000000 ] - [ -0.0006652300000000, 0.0007881300000000, -0.0002334600000000 ] - [ -0.0000587200000000, -0.0003907400000000, -0.0000205700000000 ] - [ -0.0012235300000000, -0.0004009700000000, -0.0004312000000000 ] - [ -0.0040526000000000, 0.0006569800000000, -0.0001170300000000 ] - [ -0.0014332000000000, -0.0013042000000000, -0.0001314200000000 ] - [ 0.0011703900000000, 0.0006508000000000, -0.0001434400000000 ] - [ -0.0003967900000000, 0.0009063300000000, 0.0005706900000000 ] - [ 0.0008541600000000, -0.0004453200000000, 0.0006103800000000 ] - [ -0.0015650500000000, -0.0004614400000000, 0.0005395600000000 ] - [ -0.0027032400000000, 0.0002878100000000, -0.0021814100000000 ] - [ 0.0003180100000000, -0.0003611700000000, 0.0003246500000000 ] - [ 0.0033253600000000, 0.0002828000000000, 0.0028158100000000 ] - [ -0.0000206000000000, -0.0008491600000000, 0.0001407900000000 ] - [ 0.0009033400000000, -0.0000068700000000, 0.0008603800000000 ] - [ -0.0008780800000000, -0.0000100300000000, -0.0005209400000000 ] - [ 0.0000564600000000, 0.0003097900000000, -0.0001913500000000 ] - [ 0.0003989500000000, -0.0001059700000000, -0.0011982600000000 ] - [ -0.0002748500000000, -0.0001086700000000, 0.0007431000000000 ] - [ -0.0001389200000000, 0.0002882300000000, -0.0001917500000000 ] - [ 0.0006863200000000, -0.0000761500000000, 0.0003658200000000 ] - [ -0.0009035800000000, -0.0000790900000000, -0.0007154200000000 ] - [ 0.0002955200000000, 0.0003887900000000, 0.0002861500000000 ] - [ 0.0012136600000000, -0.0000820400000000, 0.0011473700000000 ] - [ -0.0005656100000000, -0.0000847000000000, -0.0004873900000000 ] - [ -0.0012049200000000, 0.0000845200000000, -0.0004824100000000 ] - [ 0.0000052100000000, -0.0001576700000000, 0.0001644000000000 ] - [ 0.0012121700000000, 0.0000842900000000, 0.0008115000000000 ] - [ -0.0005022900000000, 0.0001267400000000, 0.0004165100000000 ] - [ 0.0000589600000000, -0.0002452000000000, -0.0002210500000000 ] - [ 0.0006155900000000, 0.0001257000000000, -0.0008524200000000 ] - [ -0.0013673800000000, 0.0000457100000000, -0.0008621100000000 ] - [ -0.0001178900000000, -0.0001298700000000, -0.0001813500000000 ] - [ 0.0011232800000000, 0.0000461700000000, 0.0004952000000000 ] - [ -0.0002763600000000, -0.0025973300000000, -0.0000368400000000 ] - [ 0.0000525500000000, 0.0012172900000000, 0.0025253800000000 ] - [ -0.0005719300000000, 0.0012276400000000, -0.0023502100000000 ] - [ 0.0083229300000000, 0.0012002800000000, 0.0257471600000000 ] - [ 0.0000043300000000, 0.0018119600000000, -0.0005425400000000 ] - [ -0.0081867800000000, 0.0012316200000000, -0.0263610100000000 ] - [ 0.0000394500000000, -0.0001464300000000, 0.0001465400000000 ] - [ -0.0002018200000000, 0.0009405300000000, -0.0020405300000000 ] - [ 0.0003264800000000, 0.0009465200000000, 0.0020082700000000 ] - [ 0.0122966700000000, 0.0028436300000000, -0.0114700300000000 ] - [ 0.0001858100000000, 0.0017005400000000, -0.0000979800000000 ] - [ -0.0117553100000000, 0.0028443300000000, 0.0111146000000000 ] - [ 0.0002028000000000, -0.0022097400000000, 0.0003030300000000 ] - [ -0.0014610900000000, 0.0008932000000000, -0.0008337800000000 ] - [ 0.0016601500000000, 0.0009059700000000, 0.0012768600000000 ] - [ 0.0016908200000000, -0.0005814000000000, -0.0000492600000000 ] - [ -0.0001409800000000, 0.0010524800000000, -0.0001120900000000 ] - [ -0.0019843300000000, -0.0005746600000000, -0.0001553900000000 ] - [ -0.0004889800000000, -0.0009411600000000, 0.0001514700000000 ] - [ -0.0028314500000000, 0.0007080200000000, 0.0003737400000000 ] - [ 0.0015868000000000, 0.0007120900000000, -0.0000857400000000 ] - [ 0.0027213600000000, -0.0002761200000000, 0.0003092100000000 ] - [ 0.0000911800000000, 0.0005000000000000, -0.0000289300000000 ] - [ -0.0025210200000000, -0.0002739900000000, -0.0003628100000000 ] - [ 0.0009065100000000, -0.0102236900000000, -0.0009007200000000 ] - [ 0.0011351300000000, 0.0049064500000000, 0.0004707800000000 ] - [ 0.0007484900000000, 0.0048784800000000, -0.0022942400000000 ] - [ -0.0255306900000000, 0.0214197300000000, 0.0094010400000000 ] - [ 0.0005308600000000, 0.0124129900000000, 0.0006168300000000 ] - [ 0.0262138300000000, 0.0213578400000000, -0.0080416400000000 ] - [ 0.0002597500000000, -0.0067578500000000, 0.0000826100000000 ] - [ 0.0008595500000000, 0.0041560700000000, -0.0007182100000000 ] - [ -0.0002285200000000, 0.0041605800000000, 0.0008086000000000 ] - [ -0.0027622600000000, 0.0129828700000000, -0.0170356900000000 ] - [ -0.0007955700000000, 0.0082307800000000, -0.0000671500000000 ] - [ 0.0011484200000000, 0.0129649900000000, 0.0166922500000000 ] - [ 0.0006549800000000, -0.2313658700000000, -0.0009938300000000 ] - [ -0.0055204600000000, 0.0208743800000000, -0.0043886000000000 ] - [ 0.0086974300000000, 0.0206888500000000, 0.0040267600000000 ] - [ -0.0020161600000000, -0.0020325600000000, -0.0002553900000000 ] - [ -0.0010511700000000, 0.0043047100000000, 0.0004969400000000 ] - [ -0.0001102700000000, -0.0019732600000000, 0.0012486100000000 ] - [ 0.0002000900000000, -0.0000919700000000, 0.0005757300000000 ] - [ -0.0002524800000000, 0.0001845500000000, 0.0000948300000000 ] - [ -0.0006974500000000, -0.0000909500000000, -0.0003751700000000 ] - [ 0.0000126800000000, -0.0001750400000000, -0.0005406800000000 ] - [ -0.0001924500000000, 0.0000865700000000, -0.0006791100000000 ] - [ 0.0002022500000000, 0.0000892900000000, -0.0004125200000000 ] - [ 0.0009556300000000, -0.0000880200000000, 0.0005276300000000 ] - [ 0.0000739400000000, 0.0001754500000000, -0.0000080000000000 ] - [ -0.0007968500000000, -0.0000866000000000, -0.0005452700000000 ] - [ 0.0002086800000000, -0.0002345100000000, -0.0000704700000000 ] - [ -0.0004816600000000, 0.0001019800000000, -0.0005240300000000 ] - [ 0.0008445400000000, 0.0001047600000000, 0.0003417000000000 ] - [ 0.0014518900000000, -0.0001280900000000, 0.0005682400000000 ] - [ 0.0001171200000000, 0.0002509400000000, 0.0002260500000000 ] - [ -0.0012139600000000, -0.0001275000000000, -0.0001149900000000 ] - [ -0.0001105200000000, -0.0001712000000000, -0.0001061200000000 ] - [ -0.0009041200000000, 0.0001017400000000, -0.0004853900000000 ] - [ 0.0006212200000000, 0.0001051700000000, 0.0002442000000000 ] - [ 0.0026842300000000, -0.0002362700000000, 0.0008652800000000 ] - [ -0.0006035400000000, 0.0004099700000000, 0.0001420600000000 ] - [ -0.0038726300000000, -0.0002348400000000, -0.0005775900000000 ] - [ 0.0001251900000000, -0.0002877700000000, -0.0000390000000000 ] - [ -0.0012380800000000, 0.0001139800000000, 0.0002362100000000 ] - [ 0.0013967500000000, 0.0001184400000000, -0.0002939200000000 ] - [ 0.0010836100000000, -0.0004942100000000, -0.0009309000000000 ] - [ 0.0009605800000000, 0.0009646600000000, -0.0009251400000000 ] - [ 0.0008434600000000, -0.0004697900000000, -0.0009188600000000 ] - [ 0.0005575300000000, -0.0015597100000000, 0.0006128400000000 ] - [ 0.0006393100000000, 0.0007779300000000, 0.0006276800000000 ] - [ 0.0004659900000000, 0.0007801600000000, 0.0005972300000000 ] - [ 0.0005658000000000, -0.0003603800000000, 0.0001016900000000 ] - [ 0.0003277900000000, 0.0007047500000000, 0.0000495200000000 ] - [ 0.0000944500000000, -0.0003450500000000, -0.0000039900000000 ] - [ -0.0007751100000000, -0.0009355700000000, -0.0000565400000000 ] - [ -0.0008754300000000, 0.0004673600000000, -0.0001123500000000 ] - [ -0.0006884700000000, 0.0004706800000000, -0.0000041700000000 ] - [ 0.0020486100000000, -0.0003118200000000, -0.0001435700000000 ] - [ 0.0016382000000000, 0.0006112600000000, -0.0001611000000000 ] - [ 0.0012332200000000, -0.0003005600000000, -0.0001776600000000 ] - [ -0.0010311800000000, -0.0006821900000000, 0.0005009400000000 ] - [ -0.0012300800000000, 0.0003362700000000, 0.0004266700000000 ] - [ -0.0008506500000000, 0.0003447000000000, 0.0005700000000000 ]- atom: 97 displacement: [ -0.0020604768976038, 0.0000000000000000, 0.0097854195083523 ] forces: - [ 0.0052737200000000, 0.0000000000000000, -0.0153085200000000 ] - [ 0.0008035500000000, 0.0003993600000000, -0.0028018000000000 ] - [ 0.0008035500000000, -0.0003993600000000, -0.0028018000000000 ] - [ -0.0013529500000000, 0.0037637300000000, 0.0199078900000000 ] - [ -0.0016782700000000, 0.0000000000000000, 0.0004512900000000 ] - [ -0.0013529500000000, -0.0037637300000000, 0.0199078900000000 ] - [ 0.0010102500000000, 0.0000000000000000, -0.0098637800000000 ] - [ -0.0006737500000000, 0.0060942400000000, 0.0014362400000000 ] - [ -0.0006737500000000, -0.0060942400000000, 0.0014362400000000 ] - [ 0.0039513200000000, 0.0036728900000000, -0.0013920500000000 ] - [ 0.0003915200000000, 0.0000000000000000, 0.0000796600000000 ] - [ 0.0039513200000000, -0.0036728900000000, -0.0013920500000000 ] - [ -0.0007624500000000, 0.0000000000000000, 0.0159403400000000 ] - [ -0.0014335400000000, -0.0043521500000000, 0.0000990600000000 ] - [ -0.0014335400000000, 0.0043521500000000, 0.0000990600000000 ] - [ -0.0009367300000000, -0.0002897300000000, -0.0037995700000000 ] - [ -0.0004449100000000, 0.0000000000000000, -0.0004251700000000 ] - [ -0.0009367300000000, 0.0002897300000000, -0.0037995700000000 ] - [ 0.0001557100000000, 0.0000574300000000, 0.0000976400000000 ] - [ 0.0001963300000000, 0.0000000000000000, 0.0000903500000000 ] - [ 0.0001557100000000, -0.0000574300000000, 0.0000976400000000 ] - [ 0.0005842400000000, 0.0000000000000000, -0.0003561600000000 ] - [ 0.0000337300000000, -0.0000505200000000, -0.0001441700000000 ] - [ 0.0000337300000000, 0.0000505200000000, -0.0001441700000000 ] - [ 0.0012661000000000, -0.0000275600000000, 0.0000335900000000 ] - [ 0.0011480200000000, 0.0000000000000000, 0.0000451100000000 ] - [ 0.0012661000000000, 0.0000275600000000, 0.0000335900000000 ] - [ -0.0014830900000000, 0.0000000000000000, 0.0010600600000000 ] - [ -0.0007552100000000, 0.0000044900000000, 0.0000437500000000 ] - [ -0.0007552100000000, -0.0000044900000000, 0.0000437500000000 ] - [ -0.0012457700000000, -0.0000186600000000, -0.0000202100000000 ] - [ -0.0013632000000000, 0.0000000000000000, -0.0000717000000000 ] - [ -0.0012457700000000, 0.0000186600000000, -0.0000202100000000 ] - [ -0.0006788800000000, 0.0000000000000000, -0.0004424800000000 ] - [ -0.0003943900000000, 0.0000435900000000, 0.0003581100000000 ] - [ -0.0003943900000000, -0.0000435900000000, 0.0003581100000000 ] - [ 0.0007404600000000, -0.0000827700000000, 0.0008656900000000 ] - [ 0.0003779400000000, 0.0000000000000000, 0.0004108400000000 ] - [ 0.0007404600000000, 0.0000827700000000, 0.0008656900000000 ] - [ -0.0017246300000000, 0.0000000000000000, -0.0013979600000000 ] - [ -0.0001562100000000, 0.0000954000000000, 0.0000127100000000 ] - [ -0.0001562100000000, -0.0000954000000000, 0.0000127100000000 ] - [ 0.0003521500000000, 0.0000000000000000, -0.0040081800000000 ] - [ 0.0002474000000000, -0.0000533900000000, -0.0008195800000000 ] - [ 0.0002474000000000, 0.0000533900000000, -0.0008195800000000 ] - [ -0.0034295100000000, 0.0000000000000000, -0.0025472000000000 ] - [ -0.0004948300000000, 0.0000343300000000, -0.0005693800000000 ] - [ -0.0004948300000000, -0.0000343300000000, -0.0005693800000000 ] - [ 0.0018706800000000, 0.0000000000000000, 0.0038754300000000 ] - [ 0.0006826800000000, -0.0000544600000000, 0.0007203400000000 ] - [ 0.0006826800000000, 0.0000544600000000, 0.0007203400000000 ] - [ 0.0002890100000000, 0.0000189000000000, 0.0003850500000000 ] - [ 0.0001016000000000, 0.0000000000000000, 0.0002445800000000 ] - [ 0.0002890100000000, -0.0000189000000000, 0.0003850500000000 ] - [ -0.0001170800000000, -0.0000143500000000, -0.0000647000000000 ] - [ 0.0000285300000000, 0.0000000000000000, -0.0002071100000000 ] - [ -0.0001170800000000, 0.0000143500000000, -0.0000647000000000 ] - [ -0.0002191900000000, -0.0000043200000000, -0.0002557800000000 ] - [ -0.0001230600000000, 0.0000000000000000, -0.0001945700000000 ] - [ -0.0002191900000000, 0.0000043200000000, -0.0002557800000000 ] - [ -0.0026712500000000, 0.0000000000000000, 0.0179974700000000 ] - [ 0.0003661400000000, 0.0002845900000000, 0.0026118500000000 ] - [ 0.0003661400000000, -0.0002845900000000, 0.0026118500000000 ] - [ 0.0026348400000000, 0.0059612900000000, 0.0019609700000000 ] - [ 0.0002125000000000, 0.0000000000000000, -0.0000450300000000 ] - [ 0.0026348400000000, -0.0059612900000000, 0.0019609700000000 ] - [ -0.0040417700000000, 0.0000000000000000, 0.0241648700000000 ] - [ -0.0002650600000000, -0.0005790000000000, 0.0015797700000000 ] - [ -0.0002650600000000, 0.0005790000000000, 0.0015797700000000 ] - [ -0.0002095400000000, -0.0025758000000000, -0.0026482700000000 ] - [ 0.0005876200000000, 0.0000000000000000, -0.0011244200000000 ] - [ -0.0002095400000000, 0.0025758000000000, -0.0026482700000000 ] - [ 0.0106368100000000, 0.0000000000000000, -0.0013220500000000 ] - [ 0.0011883600000000, -0.0000508800000000, -0.0013648400000000 ] - [ 0.0011883600000000, 0.0000508800000000, -0.0013648400000000 ] - [ -0.0017120600000000, -0.0001143300000000, 0.0016185700000000 ] - [ -0.0005524100000000, 0.0000000000000000, 0.0003904800000000 ] - [ -0.0017120600000000, 0.0001143300000000, 0.0016185700000000 ] - [ -0.0112965000000000, 0.0000000000000000, 0.0010007900000000 ] - [ -0.0013782800000000, 0.0002739300000000, 0.0002706800000000 ] - [ -0.0013782800000000, -0.0002739300000000, 0.0002706800000000 ] - [ 0.0003716800000000, -0.0000017000000000, 0.0001227700000000 ] - [ 0.0001012100000000, 0.0000000000000000, 0.0000346100000000 ] - [ 0.0003716800000000, 0.0000017000000000, 0.0001227700000000 ] - [ 0.0002542600000000, 0.0000000000000000, 0.0008543400000000 ] - [ 0.0006787700000000, 0.0002627100000000, -0.0003604400000000 ] - [ 0.0006787700000000, -0.0002627100000000, -0.0003604400000000 ] - [ -0.0067789700000000, 0.0159939000000000, -0.0014822700000000 ] - [ 0.0012369500000000, 0.0000000000000000, 0.0002530700000000 ] - [ -0.0067789700000000, -0.0159939000000000, -0.0014822700000000 ] - [ -0.0053828500000000, 0.0000000000000000, 0.0070582500000000 ] - [ -0.0000391600000000, -0.0014046700000000, 0.0005980600000000 ] - [ -0.0000391600000000, 0.0014046700000000, 0.0005980600000000 ] - [ -0.0006766200000000, -0.0192089700000000, 0.0080084600000000 ] - [ -0.0016789000000000, 0.0000000000000000, -0.0010664900000000 ] - [ -0.0006766200000000, 0.0192089700000000, 0.0080084600000000 ] - [ 0.0243409300000000, 0.0000000000000000, -0.0877662500000000 ] - [ 0.0007377200000000, 0.0026079900000000, -0.0022499900000000 ] - [ 0.0007377200000000, -0.0026079900000000, -0.0022499900000000 ] - [ -0.0017265100000000, -0.0005517500000000, 0.0022555100000000 ] - [ -0.0013208000000000, 0.0000000000000000, 0.0009850100000000 ] - [ -0.0017265100000000, 0.0005517500000000, 0.0022555100000000 ] - [ -0.0002716500000000, 0.0000015800000000, 0.0000639800000000 ] - [ -0.0002631300000000, 0.0000000000000000, 0.0000776800000000 ] - [ -0.0002716500000000, -0.0000015800000000, 0.0000639800000000 ] - [ -0.0000001900000000, 0.0000000000000000, -0.0001011900000000 ] - [ -0.0000198300000000, 0.0000111200000000, -0.0004517900000000 ] - [ -0.0000198300000000, -0.0000111200000000, -0.0004517900000000 ] - [ 0.0001178100000000, -0.0000048600000000, 0.0000457100000000 ] - [ 0.0000573400000000, 0.0000000000000000, 0.0000048600000000 ] - [ 0.0001178100000000, 0.0000048600000000, 0.0000457100000000 ] - [ -0.0013775400000000, 0.0000000000000000, -0.0018674100000000 ] - [ -0.0000724800000000, 0.0000279500000000, -0.0003739700000000 ] - [ -0.0000724800000000, -0.0000279500000000, -0.0003739700000000 ] - [ -0.0001971900000000, -0.0000088700000000, 0.0000809800000000 ] - [ -0.0000073100000000, 0.0000000000000000, 0.0001684200000000 ] - [ -0.0001971900000000, 0.0000088700000000, 0.0000809800000000 ] - [ 0.0014973700000000, 0.0000000000000000, 0.0006362700000000 ] - [ 0.0000622300000000, -0.0000373700000000, -0.0000791800000000 ] - [ 0.0000622300000000, 0.0000373700000000, -0.0000791800000000 ] - [ -0.0008741100000000, 0.0000409000000000, -0.0002313700000000 ] - [ -0.0006469200000000, 0.0000000000000000, 0.0000817000000000 ] - [ -0.0008741100000000, -0.0000409000000000, -0.0002313700000000 ] - [ 0.0012999700000000, 0.0000000000000000, 0.0033081600000000 ] - [ 0.0001967300000000, -0.0000039900000000, 0.0004779600000000 ] - [ 0.0001967300000000, 0.0000039900000000, 0.0004779600000000 ] - [ 0.0009822800000000, -0.0000586500000000, -0.0008594000000000 ] - [ 0.0009609300000000, 0.0000000000000000, -0.0008987100000000 ] - [ 0.0009822800000000, 0.0000586500000000, -0.0008594000000000 ] - [ 0.0004001400000000, 0.0000000000000000, 0.0006073500000000 ] - [ 0.0004880100000000, -0.0000070300000000, 0.0006044500000000 ] - [ 0.0004880100000000, 0.0000070300000000, 0.0006044500000000 ] - [ 0.0003182800000000, 0.0000007300000000, -0.0000031100000000 ] - [ 0.0003104500000000, 0.0000000000000000, 0.0000273500000000 ] - [ 0.0003182800000000, -0.0000007300000000, -0.0000031100000000 ] - [ -0.0009087900000000, 0.0000000000000000, -0.0001732700000000 ] - [ -0.0008326900000000, -0.0000035900000000, -0.0000935600000000 ] - [ -0.0008326900000000, 0.0000035900000000, -0.0000935600000000 ] - [ 0.0015087800000000, 0.0000683300000000, -0.0001984600000000 ] - [ 0.0015785600000000, 0.0000000000000000, -0.0001840800000000 ] - [ 0.0015087800000000, -0.0000683300000000, -0.0001984600000000 ] - [ -0.0008722800000000, 0.0000000000000000, 0.0005501400000000 ] - [ -0.0010385000000000, -0.0000145900000000, 0.0004907300000000 ] - [ -0.0010385000000000, 0.0000145900000000, 0.0004907300000000 ]- atom: 97 displacement: [ 0.0020604768976038, 0.0000000000000000, -0.0097854195083523 ] forces: - [ -0.0050887000000000, 0.0000000000000000, 0.0154945700000000 ] - [ -0.0004519300000000, -0.0004208200000000, 0.0030062500000000 ] - [ -0.0004519300000000, 0.0004208200000000, 0.0030062500000000 ] - [ 0.0009975700000000, -0.0037825800000000, -0.0203597100000000 ] - [ 0.0013790800000000, 0.0000000000000000, -0.0006958100000000 ] - [ 0.0009975700000000, 0.0037825800000000, -0.0203597100000000 ] - [ 0.0004772000000000, 0.0000000000000000, 0.0087076400000000 ] - [ 0.0027416900000000, -0.0061376700000000, -0.0013839400000000 ] - [ 0.0027416900000000, 0.0061376700000000, -0.0013839400000000 ] - [ -0.0052642300000000, -0.0037200700000000, 0.0008525500000000 ] - [ -0.0016820700000000, 0.0000000000000000, -0.0005482200000000 ] - [ -0.0052642300000000, 0.0037200700000000, 0.0008525500000000 ] - [ -0.0029160600000000, 0.0000000000000000, -0.0161289700000000 ] - [ -0.0014402300000000, 0.0043561300000000, -0.0003509300000000 ] - [ -0.0014402300000000, -0.0043561300000000, -0.0003509300000000 ] - [ 0.0002229300000000, 0.0002708200000000, 0.0050213300000000 ] - [ -0.0002591200000000, 0.0000000000000000, 0.0015951300000000 ] - [ 0.0002229300000000, -0.0002708200000000, 0.0050213300000000 ] - [ 0.0002186900000000, -0.0000610000000000, 0.0000941000000000 ] - [ 0.0001755200000000, 0.0000000000000000, 0.0001032400000000 ] - [ 0.0002186900000000, 0.0000610000000000, 0.0000941000000000 ] - [ -0.0008908700000000, 0.0000000000000000, 0.0001131300000000 ] - [ -0.0003487700000000, 0.0000484600000000, -0.0001045100000000 ] - [ -0.0003487700000000, -0.0000484600000000, -0.0001045100000000 ] - [ 0.0008128500000000, 0.0000251400000000, 0.0000465700000000 ] - [ 0.0009296800000000, 0.0000000000000000, 0.0000339500000000 ] - [ 0.0008128500000000, -0.0000251400000000, 0.0000465700000000 ] - [ 0.0002145500000000, 0.0000000000000000, -0.0015197700000000 ] - [ -0.0005211300000000, -0.0000071600000000, -0.0004993700000000 ] - [ -0.0005211300000000, 0.0000071600000000, -0.0004993700000000 ] - [ -0.0015808500000000, 0.0000174900000000, -0.0002351100000000 ] - [ -0.0014695700000000, 0.0000000000000000, -0.0001858600000000 ] - [ -0.0015808500000000, -0.0000174900000000, -0.0002351100000000 ] - [ 0.0000061100000000, 0.0000000000000000, 0.0015938100000000 ] - [ -0.0003157400000000, -0.0000499800000000, 0.0007965900000000 ] - [ -0.0003157400000000, 0.0000499800000000, 0.0007965900000000 ] - [ -0.0000831100000000, 0.0000850700000000, -0.0002005300000000 ] - [ 0.0002706200000000, 0.0000000000000000, 0.0002477800000000 ] - [ -0.0000831100000000, -0.0000850700000000, -0.0002005300000000 ] - [ 0.0017534100000000, 0.0000000000000000, 0.0017450000000000 ] - [ 0.0001765200000000, -0.0000963700000000, 0.0003226500000000 ] - [ 0.0001765200000000, 0.0000963700000000, 0.0003226500000000 ] - [ -0.0002350400000000, 0.0000000000000000, 0.0035454200000000 ] - [ -0.0001266700000000, 0.0000525500000000, 0.0003754500000000 ] - [ -0.0001266700000000, -0.0000525500000000, 0.0003754500000000 ] - [ 0.0032509700000000, 0.0000000000000000, 0.0022209900000000 ] - [ 0.0002707300000000, -0.0000359500000000, 0.0002158900000000 ] - [ 0.0002707300000000, 0.0000359500000000, 0.0002158900000000 ] - [ -0.0012230000000000, 0.0000000000000000, -0.0032176000000000 ] - [ -0.0000399600000000, 0.0000536900000000, -0.0000674900000000 ] - [ -0.0000399600000000, -0.0000536900000000, -0.0000674900000000 ] - [ -0.0002663100000000, -0.0000191800000000, -0.0000497500000000 ] - [ -0.0000801700000000, 0.0000000000000000, 0.0000909000000000 ] - [ -0.0002663100000000, 0.0000191800000000, -0.0000497500000000 ] - [ 0.0002411500000000, 0.0000148900000000, -0.0003831000000000 ] - [ 0.0000947900000000, 0.0000000000000000, -0.0002429500000000 ] - [ 0.0002411500000000, -0.0000148900000000, -0.0003831000000000 ] - [ -0.0000005300000000, 0.0000042500000000, -0.0000961900000000 ] - [ -0.0000976700000000, 0.0000000000000000, -0.0001574700000000 ] - [ -0.0000005300000000, -0.0000042500000000, -0.0000961900000000 ] - [ 0.0020960200000000, 0.0000000000000000, -0.0176606300000000 ] - [ -0.0008761500000000, -0.0002835000000000, -0.0024405600000000 ] - [ -0.0008761500000000, 0.0002835000000000, -0.0024405600000000 ] - [ -0.0026200700000000, -0.0059311900000000, -0.0031088400000000 ] - [ -0.0002133300000000, 0.0000000000000000, -0.0010808000000000 ] - [ -0.0026200700000000, 0.0059311900000000, -0.0031088400000000 ] - [ 0.0042600700000000, 0.0000000000000000, -0.0245776500000000 ] - [ 0.0004105100000000, 0.0005838700000000, -0.0016044200000000 ] - [ 0.0004105100000000, -0.0005838700000000, -0.0016044200000000 ] - [ 0.0005238600000000, 0.0025553700000000, 0.0025526300000000 ] - [ -0.0002376000000000, 0.0000000000000000, 0.0009617900000000 ] - [ 0.0005238600000000, -0.0025553700000000, 0.0025526300000000 ] - [ -0.0104910300000000, 0.0000000000000000, 0.0018356200000000 ] - [ -0.0009705500000000, 0.0000543600000000, 0.0018256400000000 ] - [ -0.0009705500000000, -0.0000543600000000, 0.0018256400000000 ] - [ 0.0014352400000000, 0.0001181800000000, -0.0018655900000000 ] - [ 0.0002709900000000, 0.0000000000000000, -0.0006325800000000 ] - [ 0.0014352400000000, -0.0001181800000000, -0.0018655900000000 ] - [ 0.0100133700000000, 0.0000000000000000, -0.0006447800000000 ] - [ 0.0001624900000000, -0.0002740500000000, 0.0000156600000000 ] - [ 0.0001624900000000, 0.0002740500000000, 0.0000156600000000 ] - [ -0.0002097500000000, 0.0000033500000000, -0.0001855700000000 ] - [ 0.0000622200000000, 0.0000000000000000, -0.0000950400000000 ] - [ -0.0002097500000000, -0.0000033500000000, -0.0001855700000000 ] - [ 0.0017300800000000, 0.0000000000000000, -0.0027300400000000 ] - [ 0.0012421000000000, -0.0002649300000000, -0.0014986800000000 ] - [ 0.0012421000000000, 0.0002649300000000, -0.0014986800000000 ] - [ 0.0079215400000000, -0.0159746800000000, 0.0026173900000000 ] - [ -0.0001282500000000, 0.0000000000000000, 0.0009649300000000 ] - [ 0.0079215400000000, 0.0159746800000000, 0.0026173900000000 ] - [ 0.0061825700000000, 0.0000000000000000, -0.0070856200000000 ] - [ 0.0006964500000000, 0.0014127700000000, -0.0004951500000000 ] - [ 0.0006964500000000, -0.0014127700000000, -0.0004951500000000 ] - [ -0.0008929400000000, 0.0194629900000000, -0.0081679900000000 ] - [ 0.0001220000000000, 0.0000000000000000, 0.0009648000000000 ] - [ -0.0008929400000000, -0.0194629900000000, -0.0081679900000000 ] - [ -0.0195830000000000, 0.0000000000000000, 0.0894322100000000 ] - [ 0.0025756500000000, -0.0026959600000000, 0.0019744000000000 ] - [ 0.0025756500000000, 0.0026959600000000, 0.0019744000000000 ] - [ -0.0003381900000000, 0.0005955200000000, -0.0012584000000000 ] - [ -0.0007586700000000, 0.0000000000000000, 0.0000127200000000 ] - [ -0.0003381900000000, -0.0005955200000000, -0.0012584000000000 ] - [ -0.0002423100000000, -0.0000007400000000, 0.0001081300000000 ] - [ -0.0002515800000000, 0.0000000000000000, 0.0000947200000000 ] - [ -0.0002423100000000, 0.0000007400000000, 0.0001081300000000 ] - [ -0.0000037300000000, 0.0000000000000000, -0.0010141300000000 ] - [ 0.0000254600000000, -0.0000103400000000, -0.0006468200000000 ] - [ 0.0000254600000000, 0.0000103400000000, -0.0006468200000000 ] - [ 0.0000161500000000, 0.0000054700000000, -0.0000687500000000 ] - [ 0.0000752000000000, 0.0000000000000000, -0.0000232200000000 ] - [ 0.0000161500000000, -0.0000054700000000, -0.0000687500000000 ] - [ 0.0017306000000000, 0.0000000000000000, 0.0016937300000000 ] - [ 0.0004348700000000, -0.0000270200000000, 0.0001970300000000 ] - [ 0.0004348700000000, 0.0000270200000000, 0.0001970300000000 ] - [ 0.0004105600000000, 0.0000095700000000, 0.0003717500000000 ] - [ 0.0002239200000000, 0.0000000000000000, 0.0002817800000000 ] - [ 0.0004105600000000, -0.0000095700000000, 0.0003717500000000 ] - [ -0.0017930300000000, 0.0000000000000000, -0.0008745300000000 ] - [ -0.0003476400000000, 0.0000389000000000, -0.0001583100000000 ] - [ -0.0003476400000000, -0.0000389000000000, -0.0001583100000000 ] - [ -0.0003644000000000, -0.0000415000000000, 0.0005141800000000 ] - [ -0.0005850900000000, 0.0000000000000000, 0.0002037500000000 ] - [ -0.0003644000000000, 0.0000415000000000, 0.0005141800000000 ] - [ -0.0011827300000000, 0.0000000000000000, -0.0033715000000000 ] - [ -0.0000301100000000, 0.0000059600000000, -0.0005391300000000 ] - [ -0.0000301100000000, -0.0000059600000000, -0.0005391300000000 ] - [ 0.0009256100000000, 0.0000683300000000, -0.0009906000000000 ] - [ 0.0009516400000000, 0.0000000000000000, -0.0009513800000000 ] - [ 0.0009256100000000, -0.0000683300000000, -0.0009906000000000 ] - [ 0.0006875300000000, 0.0000000000000000, 0.0006185800000000 ] - [ 0.0006046600000000, 0.0000070600000000, 0.0006201200000000 ] - [ 0.0006046600000000, -0.0000070600000000, 0.0006201200000000 ] - [ 0.0003275800000000, 0.0000044300000000, 0.0000979700000000 ] - [ 0.0003380700000000, 0.0000000000000000, 0.0000703700000000 ] - [ 0.0003275800000000, -0.0000044300000000, 0.0000979700000000 ] - [ -0.0006647100000000, 0.0000000000000000, 0.0000538700000000 ] - [ -0.0007383300000000, 0.0000058500000000, -0.0000235800000000 ] - [ -0.0007383300000000, -0.0000058500000000, -0.0000235800000000 ] - [ 0.0017563500000000, -0.0000669200000000, -0.0001234000000000 ] - [ 0.0016885100000000, 0.0000000000000000, -0.0001382000000000 ] - [ 0.0017563500000000, 0.0000669200000000, -0.0001234000000000 ] - [ -0.0012183600000000, 0.0000000000000000, 0.0004448500000000 ] - [ -0.0010470000000000, 0.0000143200000000, 0.0005058600000000 ] - [ -0.0010470000000000, -0.0000143200000000, 0.0005058600000000 ]- atom: 100 displacement: [ 0.0099999983408567, 0.0000000000000000, 0.0000057604567923 ] forces: - [ 0.0187461200000000, 0.0000631200000000, 0.0044468300000000 ] - [ 0.0187461200000000, -0.0000631200000000, 0.0044468300000000 ] - [ 0.0012127000000000, 0.0000000000000000, -0.0012622300000000 ] - [ 0.0083016500000000, 0.0000000000000000, 0.0058652900000000 ] - [ 0.0018268600000000, -0.0003806400000000, 0.0016207400000000 ] - [ 0.0018268600000000, 0.0003806400000000, 0.0016207400000000 ] - [ 0.0037739100000000, -0.0011506600000000, 0.0074190000000000 ] - [ 0.0037739100000000, 0.0011506600000000, 0.0074190000000000 ] - [ 0.0010519500000000, 0.0000000000000000, 0.0005144200000000 ] - [ 0.0252438200000000, 0.0000000000000000, -0.0050828800000000 ] - [ 0.0015848700000000, -0.0012252900000000, 0.0006152400000000 ] - [ 0.0015848700000000, 0.0012252900000000, 0.0006152400000000 ] - [ -0.0013013000000000, 0.0000475100000000, -0.0039941400000000 ] - [ -0.0013013000000000, -0.0000475100000000, -0.0039941400000000 ] - [ -0.0016938300000000, 0.0000000000000000, -0.0005241000000000 ] - [ -0.0056528500000000, 0.0000000000000000, 0.0057566900000000 ] - [ 0.0023280100000000, -0.0055176500000000, 0.0001760500000000 ] - [ 0.0023280100000000, 0.0055176500000000, 0.0001760500000000 ] - [ -0.0026465400000000, 0.0000000000000000, -0.0001295400000000 ] - [ -0.0006997500000000, -0.0002608400000000, -0.0000786700000000 ] - [ -0.0006997500000000, 0.0002608400000000, -0.0000786700000000 ] - [ -0.0014163600000000, 0.0004808200000000, -0.0006828600000000 ] - [ -0.0014163600000000, -0.0004808200000000, -0.0006828600000000 ] - [ -0.0009256800000000, 0.0000000000000000, -0.0004335100000000 ] - [ -0.0019266700000000, 0.0000000000000000, -0.0006848400000000 ] - [ 0.0006675200000000, -0.0005235200000000, 0.0000012800000000 ] - [ 0.0006675200000000, 0.0005235200000000, 0.0000012800000000 ] - [ -0.0019051200000000, 0.0003585100000000, -0.0001552400000000 ] - [ -0.0019051200000000, -0.0003585100000000, -0.0001552400000000 ] - [ -0.0013993700000000, 0.0000000000000000, -0.0002270800000000 ] - [ -0.0041785600000000, 0.0000000000000000, -0.0008502700000000 ] - [ -0.0016554800000000, -0.0006550200000000, -0.0002672700000000 ] - [ -0.0016554800000000, 0.0006550200000000, -0.0002672700000000 ] - [ -0.0026893900000000, 0.0001226100000000, 0.0004490700000000 ] - [ -0.0026893900000000, -0.0001226100000000, 0.0004490700000000 ] - [ -0.0015343800000000, 0.0000000000000000, 0.0004439000000000 ] - [ -0.0004229700000000, 0.0000000000000000, 0.0000053400000000 ] - [ 0.0007718700000000, -0.0000963700000000, 0.0006843300000000 ] - [ 0.0007718700000000, 0.0000963700000000, 0.0006843300000000 ] - [ -0.0007911400000000, -0.0000313800000000, -0.0002419800000000 ] - [ -0.0007911400000000, 0.0000313800000000, -0.0002419800000000 ] - [ -0.0004383800000000, 0.0000000000000000, -0.0001144500000000 ] - [ -0.0001876700000000, -0.0000818200000000, -0.0000650300000000 ] - [ -0.0001876700000000, 0.0000818200000000, -0.0000650300000000 ] - [ -0.0000848800000000, 0.0000000000000000, 0.0000276500000000 ] - [ -0.0017186200000000, -0.0002246500000000, -0.0012484400000000 ] - [ -0.0017186200000000, 0.0002246500000000, -0.0012484400000000 ] - [ -0.0005252300000000, 0.0000000000000000, -0.0004676300000000 ] - [ -0.0004204200000000, 0.0000055000000000, -0.0002208100000000 ] - [ -0.0004204200000000, -0.0000055000000000, -0.0002208100000000 ] - [ -0.0001535000000000, 0.0000000000000000, -0.0000337400000000 ] - [ -0.0036272900000000, 0.0000000000000000, -0.0030799100000000 ] - [ 0.0001863700000000, -0.0001027900000000, 0.0002845400000000 ] - [ 0.0001863700000000, 0.0001027900000000, 0.0002845400000000 ] - [ -0.0006141700000000, 0.0000000000000000, 0.0033913200000000 ] - [ -0.0000046000000000, -0.0001199800000000, -0.0000015600000000 ] - [ -0.0000046000000000, 0.0001199800000000, -0.0000015600000000 ] - [ -0.0020032100000000, 0.0000000000000000, -0.0046054800000000 ] - [ -0.0002863100000000, -0.0001239600000000, -0.0003131700000000 ] - [ -0.0002863100000000, 0.0001239600000000, -0.0003131700000000 ] - [ 0.0005316300000000, 0.0033683100000000, 0.0062044000000000 ] - [ 0.0005316300000000, -0.0033683100000000, 0.0062044000000000 ] - [ -0.0001747100000000, 0.0000000000000000, 0.0007516200000000 ] - [ -0.0020311700000000, 0.0000000000000000, -0.0114859600000000 ] - [ -0.0010453300000000, 0.0004764200000000, -0.0028610500000000 ] - [ -0.0010453300000000, -0.0004764200000000, -0.0028610500000000 ] - [ 0.0051608100000000, 0.0077843900000000, -0.0069567700000000 ] - [ 0.0051608100000000, -0.0077843900000000, -0.0069567700000000 ] - [ 0.0001351400000000, 0.0000000000000000, -0.0000458500000000 ] - [ -0.0023888300000000, 0.0000000000000000, 0.0064453000000000 ] - [ -0.0004251900000000, 0.0001605700000000, -0.0006431200000000 ] - [ -0.0004251900000000, -0.0001605700000000, -0.0006431200000000 ] - [ 0.0009134100000000, 0.0000070700000000, 0.0001643200000000 ] - [ 0.0009134100000000, -0.0000070700000000, 0.0001643200000000 ] - [ 0.0005053700000000, 0.0000000000000000, 0.0003829600000000 ] - [ 0.0143253300000000, 0.0000000000000000, 0.0175827600000000 ] - [ -0.0015197500000000, 0.0004677200000000, 0.0007523700000000 ] - [ -0.0015197500000000, -0.0004677200000000, 0.0007523700000000 ] - [ 0.0002476000000000, 0.0000340400000000, 0.0003490400000000 ] - [ 0.0002476000000000, -0.0000340400000000, 0.0003490400000000 ] - [ 0.0000043800000000, 0.0000000000000000, 0.0001548000000000 ] - [ 0.0148226500000000, 0.0000000000000000, 0.0010749200000000 ] - [ -0.0000734800000000, 0.0003817000000000, -0.0000756300000000 ] - [ -0.0000734800000000, -0.0003817000000000, -0.0000756300000000 ] - [ 0.0045195300000000, -0.0221627600000000, -0.0049426500000000 ] - [ 0.0045195300000000, 0.0221627600000000, -0.0049426500000000 ] - [ -0.0019245900000000, 0.0000000000000000, -0.0004731900000000 ] - [ -0.0022113500000000, 0.0000000000000000, 0.0012588100000000 ] - [ -0.0002599100000000, -0.0008651500000000, 0.0011172800000000 ] - [ -0.0002599100000000, 0.0008651500000000, 0.0011172800000000 ] - [ -0.0043282900000000, -0.0025806400000000, -0.0003498500000000 ] - [ -0.0043282900000000, 0.0025806400000000, -0.0003498500000000 ] - [ -0.0003997600000000, 0.0000000000000000, -0.0006347000000000 ] - [ -0.0029855000000000, 0.0000000000000000, -0.0050942600000000 ] - [ -0.0019915900000000, -0.0011783000000000, -0.0010643200000000 ] - [ -0.0019915900000000, 0.0011783000000000, -0.0010643200000000 ] - [ 0.0001169300000000, -0.0009595700000000, -0.0011906500000000 ] - [ 0.0001169300000000, 0.0009595700000000, -0.0011906500000000 ] - [ 0.0010797700000000, 0.0000000000000000, -0.0005655400000000 ] - [ -0.0923965100000000, 0.0000000000000000, -0.0086228000000000 ] - [ -0.0036048300000000, -0.0070628800000000, -0.0016021300000000 ] - [ -0.0036048300000000, 0.0070628800000000, -0.0016021300000000 ] - [ 0.0006153300000000, 0.0000000000000000, 0.0009000800000000 ] - [ -0.0000372400000000, 0.0000955500000000, 0.0004603400000000 ] - [ -0.0000372400000000, -0.0000955500000000, 0.0004603400000000 ] - [ 0.0005649100000000, -0.0000552400000000, 0.0003219100000000 ] - [ 0.0005649100000000, 0.0000552400000000, 0.0003219100000000 ] - [ 0.0003248100000000, 0.0000000000000000, -0.0000493400000000 ] - [ 0.0030576200000000, 0.0000000000000000, 0.0016140200000000 ] - [ 0.0004176600000000, 0.0001196200000000, -0.0000021800000000 ] - [ 0.0004176600000000, -0.0001196200000000, -0.0000021800000000 ] - [ 0.0009618900000000, -0.0000621500000000, 0.0001259600000000 ] - [ 0.0009618900000000, 0.0000621500000000, 0.0001259600000000 ] - [ 0.0006878500000000, 0.0000000000000000, 0.0000541900000000 ] - [ 0.0038944000000000, 0.0000000000000000, 0.0022083600000000 ] - [ 0.0001098700000000, 0.0001494700000000, 0.0001424700000000 ] - [ 0.0001098700000000, -0.0001494700000000, 0.0001424700000000 ] - [ 0.0009608800000000, -0.0000188800000000, -0.0001165600000000 ] - [ 0.0009608800000000, 0.0000188800000000, -0.0001165600000000 ] - [ 0.0005066100000000, 0.0000000000000000, -0.0000747400000000 ] - [ 0.0017443700000000, 0.0000000000000000, -0.0017680200000000 ] - [ -0.0007668000000000, 0.0001564500000000, -0.0001665000000000 ] - [ -0.0007668000000000, -0.0001564500000000, -0.0001665000000000 ] - [ 0.0022731200000000, 0.0001432000000000, 0.0002162300000000 ] - [ 0.0022731200000000, -0.0001432000000000, 0.0002162300000000 ] - [ 0.0010012500000000, 0.0000000000000000, -0.0000830100000000 ] - [ 0.0020577500000000, 0.0000000000000000, -0.0009598300000000 ] - [ 0.0015083700000000, -0.0000561100000000, -0.0009348800000000 ] - [ 0.0015083700000000, 0.0000561100000000, -0.0009348800000000 ] - [ 0.0011172000000000, -0.0009177000000000, 0.0006496100000000 ] - [ 0.0011172000000000, 0.0009177000000000, 0.0006496100000000 ] - [ 0.0008463200000000, 0.0000000000000000, 0.0005990700000000 ] - [ 0.0013692100000000, 0.0000000000000000, 0.0002346500000000 ] - [ 0.0006458400000000, 0.0001226500000000, 0.0000783500000000 ] - [ 0.0006458400000000, -0.0001226500000000, 0.0000783500000000 ] - [ -0.0002106900000000, -0.0007972500000000, 0.0000936100000000 ] - [ -0.0002106900000000, 0.0007972500000000, 0.0000936100000000 ] - [ -0.0004751800000000, 0.0000000000000000, 0.0000230500000000 ] - [ 0.0026388200000000, 0.0000000000000000, 0.0002293100000000 ] - [ 0.0018588100000000, 0.0001900300000000, -0.0001096200000000 ] - [ 0.0018588100000000, -0.0001900300000000, -0.0001096200000000 ] - [ -0.0004192200000000, -0.0003963400000000, 0.0005541800000000 ] - [ -0.0004192200000000, 0.0003963400000000, 0.0005541800000000 ] - [ -0.0006830400000000, 0.0000000000000000, 0.0005502800000000 ]- atom: 100 displacement: [ -0.0099999983408567, 0.0000000000000000, -0.0000057604567923 ] forces: - [ -0.0181626100000000, 0.0000161500000000, -0.0042084400000000 ] - [ -0.0181626100000000, -0.0000161500000000, -0.0042084400000000 ] - [ -0.0008622100000000, 0.0000000000000000, 0.0014346500000000 ] - [ -0.0086222900000000, 0.0000000000000000, -0.0060583100000000 ] - [ -0.0021448800000000, 0.0003761500000000, -0.0018681800000000 ] - [ -0.0021448800000000, -0.0003761500000000, -0.0018681800000000 ] - [ -0.0017417300000000, 0.0011379500000000, -0.0073406900000000 ] - [ -0.0017417300000000, -0.0011379500000000, -0.0073406900000000 ] - [ 0.0010113400000000, 0.0000000000000000, -0.0004260000000000 ] - [ -0.0263583000000000, 0.0000000000000000, 0.0049376400000000 ] - [ -0.0028512100000000, 0.0012447500000000, -0.0010554900000000 ] - [ -0.0028512100000000, -0.0012447500000000, -0.0010554900000000 ] - [ -0.0015472600000000, -0.0000468600000000, 0.0037129100000000 ] - [ -0.0015472600000000, 0.0000468600000000, 0.0037129100000000 ] - [ -0.0011574100000000, 0.0000000000000000, 0.0002538100000000 ] - [ 0.0062134300000000, 0.0000000000000000, -0.0051652700000000 ] - [ -0.0030130400000000, 0.0055061600000000, 0.0009677900000000 ] - [ -0.0030130400000000, -0.0055061600000000, 0.0009677900000000 ] - [ 0.0029807900000000, 0.0000000000000000, 0.0003163900000000 ] - [ 0.0010658800000000, 0.0002550900000000, 0.0002707800000000 ] - [ 0.0010658800000000, -0.0002550900000000, 0.0002707800000000 ] - [ 0.0010910000000000, -0.0004723600000000, 0.0004303800000000 ] - [ 0.0010910000000000, 0.0004723600000000, 0.0004303800000000 ] - [ 0.0006027300000000, 0.0000000000000000, 0.0001817600000000 ] - [ 0.0039683700000000, 0.0000000000000000, 0.0007576900000000 ] - [ 0.0014082900000000, 0.0005145000000000, 0.0000784000000000 ] - [ 0.0014082900000000, -0.0005145000000000, 0.0000784000000000 ] - [ 0.0006172000000000, -0.0003516900000000, -0.0002993900000000 ] - [ 0.0006172000000000, 0.0003516900000000, -0.0002993900000000 ] - [ 0.0001143800000000, 0.0000000000000000, -0.0002275100000000 ] - [ 0.0013187200000000, 0.0000000000000000, 0.0005857400000000 ] - [ -0.0011784500000000, 0.0006461700000000, 0.0000100800000000 ] - [ -0.0011784500000000, -0.0006461700000000, 0.0000100800000000 ] - [ 0.0019666800000000, -0.0001179000000000, 0.0007017500000000 ] - [ 0.0019666800000000, 0.0001179000000000, 0.0007017500000000 ] - [ 0.0008123600000000, 0.0000000000000000, 0.0007085700000000 ] - [ 0.0010857700000000, 0.0000000000000000, 0.0006613800000000 ] - [ -0.0001196000000000, 0.0000956600000000, -0.0000224500000000 ] - [ -0.0001196000000000, -0.0000956600000000, -0.0000224500000000 ] - [ 0.0008063800000000, 0.0000314900000000, 0.0005737400000000 ] - [ 0.0008063800000000, -0.0000314900000000, 0.0005737400000000 ] - [ 0.0004541900000000, 0.0000000000000000, 0.0004468000000000 ] - [ 0.0003071400000000, 0.0000822600000000, -0.0003801100000000 ] - [ 0.0003071400000000, -0.0000822600000000, -0.0003801100000000 ] - [ 0.0002049300000000, 0.0000000000000000, -0.0004739700000000 ] - [ 0.0014889400000000, 0.0002253900000000, 0.0008904700000000 ] - [ 0.0014889400000000, -0.0002253900000000, 0.0008904700000000 ] - [ 0.0002950000000000, 0.0000000000000000, 0.0001092800000000 ] - [ 0.0010595200000000, -0.0000054200000000, 0.0008723200000000 ] - [ 0.0010595200000000, 0.0000054200000000, 0.0008723200000000 ] - [ 0.0007933800000000, 0.0000000000000000, 0.0006858400000000 ] - [ 0.0035990900000000, 0.0000000000000000, 0.0033701000000000 ] - [ -0.0001597900000000, 0.0001017600000000, 0.0000554300000000 ] - [ -0.0001597900000000, -0.0001017600000000, 0.0000554300000000 ] - [ 0.0007267900000000, 0.0000000000000000, -0.0037897900000000 ] - [ 0.0001278500000000, 0.0001186400000000, -0.0004507900000000 ] - [ 0.0001278500000000, -0.0001186400000000, -0.0004507900000000 ] - [ 0.0017612600000000, 0.0000000000000000, 0.0041857200000000 ] - [ 0.0000656300000000, 0.0001224000000000, -0.0000386700000000 ] - [ 0.0000656300000000, -0.0001224000000000, -0.0000386700000000 ] - [ -0.0010170600000000, -0.0033699100000000, -0.0060165200000000 ] - [ -0.0010170600000000, 0.0033699100000000, -0.0060165200000000 ] - [ -0.0003265700000000, 0.0000000000000000, -0.0005389700000000 ] - [ 0.0020074200000000, 0.0000000000000000, 0.0102553700000000 ] - [ 0.0010467900000000, -0.0004755100000000, 0.0017512500000000 ] - [ 0.0010467900000000, 0.0004755100000000, 0.0017512500000000 ] - [ -0.0050944600000000, -0.0078914600000000, 0.0069986200000000 ] - [ -0.0050944600000000, 0.0078914600000000, 0.0069986200000000 ] - [ 0.0000146200000000, 0.0000000000000000, 0.0000149200000000 ] - [ 0.0027768200000000, 0.0000000000000000, -0.0066914900000000 ] - [ 0.0007809700000000, -0.0001620300000000, 0.0004536000000000 ] - [ 0.0007809700000000, 0.0001620300000000, 0.0004536000000000 ] - [ -0.0006870800000000, -0.0000073700000000, 0.0002921400000000 ] - [ -0.0006870800000000, 0.0000073700000000, 0.0002921400000000 ] - [ -0.0002813200000000, 0.0000000000000000, 0.0000687900000000 ] - [ -0.0143012900000000, 0.0000000000000000, -0.0174159300000000 ] - [ 0.0012217400000000, -0.0004658700000000, -0.0009880600000000 ] - [ 0.0012217400000000, 0.0004658700000000, -0.0009880600000000 ] - [ -0.0014637400000000, -0.0000352500000000, -0.0000620900000000 ] - [ -0.0014637400000000, 0.0000352500000000, -0.0000620900000000 ] - [ -0.0012234000000000, 0.0000000000000000, 0.0001325400000000 ] - [ -0.0143481100000000, 0.0000000000000000, -0.0010986400000000 ] - [ 0.0002262700000000, -0.0003798800000000, 0.0000175100000000 ] - [ 0.0002262700000000, 0.0003798800000000, 0.0000175100000000 ] - [ -0.0026377500000000, 0.0219677700000000, 0.0030528500000000 ] - [ -0.0026377500000000, -0.0219677700000000, 0.0030528500000000 ] - [ 0.0038166500000000, 0.0000000000000000, -0.0013716700000000 ] - [ 0.0033092700000000, 0.0000000000000000, -0.0000288900000000 ] - [ 0.0013557100000000, 0.0008634100000000, 0.0001105800000000 ] - [ 0.0013557100000000, -0.0008634100000000, 0.0001105800000000 ] - [ 0.0049677300000000, 0.0026731200000000, 0.0003681200000000 ] - [ 0.0049677300000000, -0.0026731200000000, 0.0003681200000000 ] - [ 0.0010536000000000, 0.0000000000000000, 0.0007277900000000 ] - [ 0.0014043100000000, 0.0000000000000000, 0.0049889600000000 ] - [ 0.0004288900000000, 0.0011814000000000, 0.0009446900000000 ] - [ 0.0004288900000000, -0.0011814000000000, 0.0009446900000000 ] - [ 0.0031506900000000, 0.0009481200000000, 0.0008651800000000 ] - [ 0.0031506900000000, -0.0009481200000000, 0.0008651800000000 ] - [ 0.0021888200000000, 0.0000000000000000, 0.0002422900000000 ] - [ 0.0882239800000000, 0.0000000000000000, 0.0096944000000000 ] - [ 0.0014787100000000, 0.0070176500000000, 0.0025838000000000 ] - [ 0.0014787100000000, -0.0070176500000000, 0.0025838000000000 ] - [ -0.0011152100000000, 0.0000000000000000, -0.0007061000000000 ] - [ -0.0004756400000000, -0.0000938300000000, -0.0002845800000000 ] - [ -0.0004756400000000, 0.0000938300000000, -0.0002845800000000 ] - [ -0.0005567000000000, 0.0000538900000000, -0.0014184900000000 ] - [ -0.0005567000000000, -0.0000538900000000, -0.0014184900000000 ] - [ -0.0003152100000000, 0.0000000000000000, -0.0010434200000000 ] - [ -0.0028770600000000, 0.0000000000000000, -0.0016194600000000 ] - [ -0.0002843500000000, -0.0001178100000000, -0.0000205300000000 ] - [ -0.0002843500000000, 0.0001178100000000, -0.0000205300000000 ] - [ -0.0005978500000000, 0.0000607100000000, -0.0003005300000000 ] - [ -0.0005978500000000, -0.0000607100000000, -0.0003005300000000 ] - [ -0.0003206300000000, 0.0000000000000000, -0.0002303700000000 ] - [ -0.0036305400000000, 0.0000000000000000, -0.0017278700000000 ] - [ 0.0001032700000000, -0.0001475100000000, 0.0003055600000000 ] - [ 0.0001032700000000, 0.0001475100000000, 0.0003055600000000 ] - [ -0.0012379900000000, 0.0000173700000000, -0.0001210100000000 ] - [ -0.0012379900000000, -0.0000173700000000, -0.0001210100000000 ] - [ -0.0007830500000000, 0.0000000000000000, -0.0001625300000000 ] - [ -0.0029633500000000, 0.0000000000000000, 0.0020207900000000 ] - [ -0.0004674000000000, -0.0001544700000000, 0.0004517400000000 ] - [ -0.0004674000000000, 0.0001544700000000, 0.0004517400000000 ] - [ -0.0020972100000000, -0.0001446100000000, -0.0002760100000000 ] - [ -0.0020972100000000, 0.0001446100000000, -0.0002760100000000 ] - [ -0.0008274600000000, 0.0000000000000000, 0.0000241500000000 ] - [ -0.0001376200000000, 0.0000000000000000, -0.0008906800000000 ] - [ 0.0004077200000000, 0.0000604300000000, -0.0009156900000000 ] - [ 0.0004077200000000, -0.0000604300000000, -0.0009156900000000 ] - [ -0.0000188800000000, 0.0009034400000000, 0.0005767700000000 ] - [ -0.0000188800000000, -0.0009034400000000, 0.0005767700000000 ] - [ 0.0002480700000000, 0.0000000000000000, 0.0006258600000000 ] - [ -0.0007106900000000, 0.0000000000000000, -0.0001367400000000 ] - [ 0.0000036100000000, -0.0001193700000000, 0.0000177800000000 ] - [ 0.0000036100000000, 0.0001193700000000, 0.0000177800000000 ] - [ -0.0013555600000000, 0.0007831100000000, -0.0002098300000000 ] - [ -0.0013555600000000, -0.0007831100000000, -0.0002098300000000 ] - [ -0.0010928700000000, 0.0000000000000000, -0.0001400800000000 ] - [ 0.0006399400000000, 0.0000000000000000, -0.0005449200000000 ] - [ 0.0014090200000000, -0.0001886700000000, -0.0002125200000000 ] - [ 0.0014090200000000, 0.0001886700000000, -0.0002125200000000 ] - [ -0.0016617300000000, 0.0003933900000000, 0.0004413300000000 ] - [ -0.0016617300000000, -0.0003933900000000, 0.0004413300000000 ] - [ -0.0013988000000000, 0.0000000000000000, 0.0004465000000000 ]- atom: 100 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0107635500000000, 0.0405780100000000, 0.0070891100000000 ] - [ -0.0115694800000000, 0.0454553100000000, -0.0077972400000000 ] - [ 0.0001828400000000, -0.0229824800000000, 0.0001007000000000 ] - [ -0.0002912300000000, 0.0059713300000000, -0.0001525400000000 ] - [ 0.0006712400000000, -0.0029410200000000, 0.0010314800000000 ] - [ -0.0010283800000000, -0.0029713600000000, -0.0012712000000000 ] - [ -0.0001056800000000, 0.0037384600000000, 0.0127104100000000 ] - [ 0.0020698000000000, 0.0038679500000000, -0.0127091500000000 ] - [ 0.0010271500000000, -0.0074976900000000, 0.0000274800000000 ] - [ -0.0007025400000000, 0.0203141000000000, 0.0001923900000000 ] - [ -0.0017286100000000, -0.0082673900000000, -0.0053140400000000 ] - [ 0.0004295700000000, -0.0083376600000000, 0.0048137200000000 ] - [ -0.0033578100000000, 0.0044273100000000, -0.0161736000000000 ] - [ 0.0005228900000000, 0.0044551400000000, 0.0161425800000000 ] - [ -0.0014144600000000, -0.0084781200000000, -0.0001150800000000 ] - [ 0.0000422900000000, 0.0321756300000000, 0.0004030000000000 ] - [ -0.0041957700000000, -0.0121799200000000, 0.0023099900000000 ] - [ 0.0034368300000000, -0.0122326200000000, -0.0011531700000000 ] - [ 0.0002098100000000, 0.0009505900000000, 0.0000962500000000 ] - [ -0.0002015000000000, -0.0004714900000000, 0.0000373300000000 ] - [ 0.0005808800000000, -0.0004795900000000, 0.0001574500000000 ] - [ -0.0008671600000000, 0.0003707900000000, -0.0003956600000000 ] - [ 0.0005772800000000, 0.0003821800000000, 0.0001567000000000 ] - [ -0.0001502300000000, -0.0007538400000000, -0.0001216800000000 ] - [ 0.0010700900000000, 0.0009082100000000, 0.0000476800000000 ] - [ 0.0002606900000000, -0.0004491100000000, -0.0002415700000000 ] - [ 0.0018147500000000, -0.0004620900000000, 0.0003174300000000 ] - [ -0.0015619800000000, 0.0004147700000000, -0.0003561100000000 ] - [ 0.0003040100000000, 0.0004247800000000, -0.0000951400000000 ] - [ -0.0006312500000000, -0.0008394900000000, -0.0002256000000000 ] - [ -0.0013821400000000, 0.0010238500000000, -0.0001205100000000 ] - [ -0.0026479300000000, -0.0005029200000000, -0.0001989200000000 ] - [ -0.0001955400000000, -0.0005220500000000, -0.0000546500000000 ] - [ -0.0031963300000000, 0.0006436800000000, 0.0006849900000000 ] - [ 0.0025220300000000, 0.0006516200000000, 0.0004671200000000 ] - [ -0.0003404700000000, -0.0012908700000000, 0.0005767100000000 ] - [ 0.0003493200000000, 0.0002629900000000, 0.0003454300000000 ] - [ -0.0005930700000000, -0.0000718100000000, -0.0003674900000000 ] - [ 0.0012295600000000, -0.0000751400000000, 0.0010171000000000 ] - [ -0.0012749200000000, 0.0000602800000000, -0.0004319000000000 ] - [ 0.0013082800000000, 0.0000609300000000, 0.0007703100000000 ] - [ 0.0000161400000000, -0.0001140300000000, 0.0001710100000000 ] - [ -0.0005557500000000, 0.0001279200000000, 0.0004538000000000 ] - [ 0.0006877900000000, 0.0001292300000000, -0.0009200400000000 ] - [ 0.0000639800000000, -0.0002334000000000, -0.0002301500000000 ] - [ -0.0029618100000000, 0.0002652400000000, -0.0023104800000000 ] - [ 0.0027544000000000, 0.0002719200000000, 0.0019696500000000 ] - [ -0.0001058500000000, -0.0003787300000000, -0.0001734900000000 ] - [ -0.0008829200000000, 0.0000520100000000, -0.0005830600000000 ] - [ 0.0015487200000000, 0.0000519000000000, 0.0012556900000000 ] - [ 0.0003298400000000, -0.0001282700000000, 0.0003337500000000 ] - [ 0.0000521100000000, -0.0000403200000000, 0.0002036000000000 ] - [ -0.0010909500000000, -0.0000717700000000, -0.0006989300000000 ] - [ 0.0011025300000000, -0.0000751800000000, 0.0010270600000000 ] - [ 0.0000680200000000, 0.0002684000000000, -0.0002596900000000 ] - [ -0.0003249100000000, -0.0001129500000000, 0.0008810300000000 ] - [ 0.0004437900000000, -0.0001158000000000, -0.0013209100000000 ] - [ -0.0000903500000000, 0.0003158500000000, -0.0001363800000000 ] - [ -0.0010846000000000, -0.0001096000000000, -0.0010119800000000 ] - [ 0.0008541300000000, -0.0001126100000000, 0.0006507700000000 ] - [ 0.0093637600000000, 0.0014542400000000, 0.0291013900000000 ] - [ -0.0100249900000000, 0.0014145300000000, -0.0294157300000000 ] - [ -0.0002579300000000, 0.0019329100000000, 0.0000808800000000 ] - [ 0.0000112200000000, -0.0029064500000000, -0.0004458700000000 ] - [ -0.0002077500000000, 0.0013197500000000, -0.0027211400000000 ] - [ 0.0002223200000000, 0.0013307800000000, 0.0016178400000000 ] - [ 0.0124084700000000, 0.0040674900000000, -0.0127059100000000 ] - [ -0.0124494300000000, 0.0040582500000000, 0.0128657100000000 ] - [ 0.0000598500000000, 0.0019684700000000, 0.0000007600000000 ] - [ 0.0002420200000000, -0.0002829500000000, -0.0002623900000000 ] - [ 0.0002498200000000, 0.0010694500000000, 0.0022448700000000 ] - [ 0.0001222300000000, 0.0010774400000000, -0.0024109900000000 ] - [ 0.0021940600000000, -0.0005588200000000, 0.0001445700000000 ] - [ -0.0019676100000000, -0.0005667200000000, 0.0002791500000000 ] - [ 0.0001059800000000, 0.0010641200000000, 0.0002182100000000 ] - [ -0.0002785700000000, -0.0042661900000000, -0.0002085500000000 ] - [ 0.0016449800000000, 0.0011022200000000, 0.0011771800000000 ] - [ -0.0019038800000000, 0.0011144400000000, -0.0013992800000000 ] - [ 0.0017270900000000, -0.0002759700000000, 0.0004820100000000 ] - [ -0.0029857200000000, -0.0002783100000000, -0.0001970000000000 ] - [ -0.0006241400000000, 0.0005168500000000, 0.0001436500000000 ] - [ -0.0000552500000000, -0.0011534500000000, -0.0000289400000000 ] - [ 0.0028179400000000, 0.0006373500000000, -0.0003997600000000 ] - [ -0.0026236200000000, 0.0006417600000000, 0.0003380300000000 ] - [ -0.0258024900000000, 0.0195854000000000, 0.0069829200000000 ] - [ 0.0281464000000000, 0.0196266800000000, -0.0089591500000000 ] - [ 0.0009779200000000, 0.0118700100000000, -0.0009301400000000 ] - [ 0.0005959400000000, -0.0122322800000000, 0.0005897500000000 ] - [ 0.0002739100000000, 0.0059528300000000, -0.0007489500000000 ] - [ 0.0008487300000000, 0.0059239200000000, 0.0019483100000000 ] - [ -0.0020141200000000, 0.0137559000000000, -0.0177711300000000 ] - [ 0.0027175300000000, 0.0137480100000000, 0.0181131700000000 ] - [ 0.0003363900000000, 0.0086897200000000, 0.0000608500000000 ] - [ -0.0007099200000000, -0.0088509900000000, -0.0001082200000000 ] - [ -0.0015534800000000, 0.0053150200000000, 0.0007837300000000 ] - [ -0.0000042100000000, 0.0053329100000000, -0.0008972900000000 ] - [ 0.0005344600000000, -0.0019713400000000, -0.0009851300000000 ] - [ 0.0027832400000000, -0.0020329700000000, 0.0006595200000000 ] - [ 0.0016436000000000, 0.0043028600000000, -0.0001614100000000 ] - [ -0.0002445300000000, -0.2346704700000000, 0.0014112400000000 ] - [ 0.0060463500000000, 0.0280925500000000, 0.0062089200000000 ] - [ -0.0080279500000000, 0.0278352300000000, -0.0051452000000000 ] - [ -0.0002631000000000, -0.0001770400000000, 0.0000858900000000 ] - [ -0.0000443600000000, 0.0000878900000000, 0.0001903700000000 ] - [ -0.0004704800000000, 0.0000903200000000, -0.0000228300000000 ] - [ 0.0004579000000000, -0.0001003400000000, -0.0000293200000000 ] - [ -0.0004627500000000, -0.0001020900000000, -0.0010872800000000 ] - [ 0.0000006000000000, 0.0002041700000000, -0.0005520100000000 ] - [ 0.0000419400000000, -0.0002258500000000, -0.0000306500000000 ] - [ 0.0008071800000000, 0.0001055000000000, 0.0004876200000000 ] - [ -0.0006713000000000, 0.0001087600000000, -0.0005030100000000 ] - [ 0.0010495400000000, -0.0000963000000000, 0.0004205500000000 ] - [ -0.0007096400000000, -0.0000979000000000, -0.0006054200000000 ] - [ 0.0001752900000000, 0.0001946900000000, -0.0000917700000000 ] - [ 0.0000643900000000, -0.0001683500000000, 0.0002047700000000 ] - [ 0.0012014500000000, 0.0001073800000000, 0.0007495200000000 ] - [ -0.0009767600000000, 0.0001117300000000, -0.0002941400000000 ] - [ 0.0010284100000000, -0.0001349100000000, 0.0000951500000000 ] - [ -0.0013274500000000, -0.0001358600000000, -0.0003338600000000 ] - [ -0.0001471600000000, 0.0002661800000000, -0.0001209900000000 ] - [ -0.0006526400000000, -0.0002920300000000, 0.0001555600000000 ] - [ 0.0007773600000000, 0.0001171900000000, -0.0001723900000000 ] - [ -0.0019925400000000, 0.0001215800000000, 0.0004561700000000 ] - [ 0.0035724300000000, -0.0002474000000000, 0.0004599100000000 ] - [ -0.0034403500000000, -0.0002499300000000, -0.0005145100000000 ] - [ 0.0000689700000000, 0.0004350100000000, -0.0000272100000000 ] - [ 0.0009455500000000, -0.0016170200000000, -0.0009246100000000 ] - [ 0.0008783900000000, 0.0008076600000000, -0.0009259000000000 ] - [ 0.0010274200000000, 0.0008094100000000, -0.0009244000000000 ] - [ 0.0006498600000000, -0.0005231400000000, 0.0005905800000000 ] - [ 0.0004335600000000, -0.0005472200000000, 0.0006344400000000 ] - [ 0.0005442700000000, 0.0010698000000000, 0.0006128400000000 ] - [ 0.0003133300000000, -0.0008920500000000, 0.0000457600000000 ] - [ 0.0004627200000000, 0.0004440500000000, 0.0000911900000000 ] - [ 0.0001815900000000, 0.0004498000000000, 0.0000045800000000 ] - [ -0.0005894100000000, -0.0004217200000000, 0.0000122900000000 ] - [ -0.0009922900000000, -0.0004397800000000, -0.0001329300000000 ] - [ -0.0007878400000000, 0.0008627000000000, -0.0000596600000000 ] - [ 0.0016228300000000, -0.0006841200000000, -0.0001641100000000 ] - [ 0.0018460100000000, 0.0003368900000000, -0.0001018200000000 ] - [ 0.0014187200000000, 0.0003455300000000, -0.0002209500000000 ] - [ -0.0006528100000000, -0.0003451000000000, 0.0005676200000000 ] - [ -0.0014427600000000, -0.0003605800000000, 0.0004258400000000 ] - [ -0.0010453500000000, 0.0007072400000000, 0.0004972400000000 ]- atom: 100 displacement: [ -0.0020604768976038, 0.0000000000000000, 0.0097854195083523 ] forces: - [ 0.0001081200000000, 0.0036055700000000, 0.0187237400000000 ] - [ 0.0001081200000000, -0.0036055700000000, 0.0187237400000000 ] - [ -0.0013920600000000, 0.0000000000000000, 0.0003958200000000 ] - [ 0.0053637400000000, 0.0000000000000000, -0.0128288300000000 ] - [ 0.0006867000000000, -0.0003460400000000, -0.0024545900000000 ] - [ 0.0006867000000000, 0.0003460400000000, -0.0024545900000000 ] - [ 0.0055221200000000, 0.0039359000000000, -0.0010465700000000 ] - [ 0.0055221200000000, -0.0039359000000000, -0.0010465700000000 ] - [ 0.0019782200000000, 0.0000000000000000, 0.0006117400000000 ] - [ 0.0035821100000000, 0.0000000000000000, -0.0035693000000000 ] - [ -0.0028010300000000, -0.0053252700000000, 0.0017916500000000 ] - [ -0.0028010300000000, 0.0053252700000000, 0.0017916500000000 ] - [ -0.0017187200000000, -0.0004299700000000, -0.0054516700000000 ] - [ -0.0017187200000000, 0.0004299700000000, -0.0054516700000000 ] - [ -0.0015145700000000, 0.0000000000000000, -0.0010824400000000 ] - [ 0.0079406600000000, 0.0000000000000000, 0.0146101000000000 ] - [ 0.0001155000000000, 0.0029688500000000, 0.0013638800000000 ] - [ 0.0001155000000000, -0.0029688500000000, 0.0013638800000000 ] - [ 0.0005722300000000, 0.0000000000000000, -0.0000102900000000 ] - [ 0.0003238500000000, 0.0000024700000000, 0.0000843200000000 ] - [ 0.0003238500000000, -0.0000024700000000, 0.0000843200000000 ] - [ -0.0002578400000000, 0.0000774200000000, -0.0001354600000000 ] - [ -0.0002578400000000, -0.0000774200000000, -0.0001354600000000 ] - [ -0.0002042400000000, 0.0000000000000000, -0.0001403900000000 ] - [ 0.0001436700000000, 0.0000000000000000, 0.0009984100000000 ] - [ 0.0009602600000000, -0.0000714600000000, 0.0002613900000000 ] - [ 0.0009602600000000, 0.0000714600000000, 0.0002613900000000 ] - [ -0.0004841100000000, 0.0000245300000000, -0.0003009500000000 ] - [ -0.0004841100000000, -0.0000245300000000, -0.0003009500000000 ] - [ -0.0005906200000000, 0.0000000000000000, -0.0002596400000000 ] - [ -0.0017086600000000, 0.0000000000000000, -0.0010231400000000 ] - [ -0.0014138400000000, -0.0000956600000000, -0.0003144500000000 ] - [ -0.0014138400000000, 0.0000956600000000, -0.0003144500000000 ] - [ -0.0002732400000000, 0.0000178500000000, 0.0007310000000000 ] - [ -0.0002732400000000, -0.0000178500000000, 0.0007310000000000 ] - [ -0.0004048100000000, 0.0000000000000000, 0.0006511000000000 ] - [ -0.0024877300000000, 0.0000000000000000, -0.0016368900000000 ] - [ 0.0000125300000000, -0.0000350600000000, 0.0000244100000000 ] - [ 0.0000125300000000, 0.0000350600000000, 0.0000244100000000 ] - [ 0.0002486800000000, 0.0000355000000000, 0.0004687200000000 ] - [ 0.0002486800000000, -0.0000355000000000, 0.0004687200000000 ] - [ 0.0000556500000000, 0.0000000000000000, 0.0002407400000000 ] - [ -0.0001754300000000, -0.0000204400000000, 0.0000724000000000 ] - [ -0.0001754300000000, 0.0000204400000000, 0.0000724000000000 ] - [ -0.0000054100000000, 0.0000000000000000, -0.0001211100000000 ] - [ 0.0003079600000000, -0.0000982800000000, 0.0004332300000000 ] - [ 0.0003079600000000, 0.0000982800000000, 0.0004332300000000 ] - [ -0.0001026800000000, 0.0000000000000000, -0.0001135000000000 ] - [ 0.0000899900000000, -0.0000065900000000, 0.0000955600000000 ] - [ 0.0000899900000000, 0.0000065900000000, 0.0000955600000000 ] - [ 0.0002284600000000, 0.0000000000000000, 0.0002327900000000 ] - [ -0.0019909200000000, 0.0000000000000000, -0.0014606100000000 ] - [ -0.0000759000000000, -0.0000695700000000, 0.0001399300000000 ] - [ -0.0000759000000000, 0.0000695700000000, 0.0001399300000000 ] - [ 0.0006293600000000, 0.0000000000000000, -0.0029208600000000 ] - [ 0.0002259800000000, 0.0000302300000000, -0.0007297100000000 ] - [ 0.0002259800000000, -0.0000302300000000, -0.0007297100000000 ] - [ 0.0004785100000000, 0.0000000000000000, 0.0022890600000000 ] - [ 0.0001634800000000, 0.0000367600000000, 0.0001459000000000 ] - [ 0.0001634800000000, -0.0000367600000000, 0.0001459000000000 ] - [ 0.0023961700000000, 0.0057645300000000, 0.0043957400000000 ] - [ 0.0023961700000000, -0.0057645300000000, 0.0043957400000000 ] - [ -0.0000545600000000, 0.0000000000000000, 0.0006904700000000 ] - [ -0.0033968700000000, 0.0000000000000000, 0.0134545800000000 ] - [ 0.0003245800000000, -0.0001868900000000, 0.0011283300000000 ] - [ 0.0003245800000000, 0.0001868900000000, 0.0011283300000000 ] - [ -0.0007241700000000, -0.0028451600000000, -0.0025178300000000 ] - [ -0.0007241700000000, 0.0028451600000000, -0.0025178300000000 ] - [ 0.0005891700000000, 0.0000000000000000, -0.0012201500000000 ] - [ -0.0061603800000000, 0.0000000000000000, 0.0202054900000000 ] - [ -0.0001393600000000, 0.0005763200000000, 0.0010966800000000 ] - [ -0.0001393600000000, -0.0005763200000000, 0.0010966800000000 ] - [ -0.0012418600000000, -0.0001575200000000, 0.0014583600000000 ] - [ -0.0012418600000000, 0.0001575200000000, 0.0014583600000000 ] - [ -0.0002140300000000, 0.0000000000000000, 0.0006279500000000 ] - [ 0.0127119000000000, 0.0000000000000000, -0.0045028500000000 ] - [ 0.0010224600000000, 0.0000232900000000, -0.0022332500000000 ] - [ 0.0010224600000000, -0.0000232900000000, -0.0022332500000000 ] - [ -0.0001326700000000, 0.0000090900000000, 0.0002552300000000 ] - [ -0.0001326700000000, -0.0000090900000000, 0.0002552300000000 ] - [ -0.0004496900000000, 0.0000000000000000, 0.0001717000000000 ] - [ -0.0079636800000000, 0.0000000000000000, 0.0004366700000000 ] - [ -0.0006701800000000, -0.0001579900000000, 0.0000394500000000 ] - [ -0.0006701800000000, 0.0001579900000000, 0.0000394500000000 ] - [ -0.0066856300000000, 0.0133938200000000, -0.0023041200000000 ] - [ -0.0066856300000000, -0.0133938200000000, -0.0023041200000000 ] - [ 0.0012797100000000, 0.0000000000000000, -0.0010712400000000 ] - [ -0.0006399900000000, 0.0000000000000000, 0.0025383100000000 ] - [ 0.0001102700000000, -0.0005900300000000, 0.0012961000000000 ] - [ 0.0001102700000000, 0.0005900300000000, 0.0012961000000000 ] - [ 0.0003351000000000, -0.0188435600000000, 0.0079451100000000 ] - [ 0.0003351000000000, 0.0188435600000000, 0.0079451100000000 ] - [ -0.0004188500000000, 0.0000000000000000, -0.0008925200000000 ] - [ -0.0066024500000000, 0.0000000000000000, 0.0074339700000000 ] - [ -0.0009684700000000, 0.0018124500000000, 0.0005418700000000 ] - [ -0.0009684700000000, -0.0018124500000000, 0.0005418700000000 ] - [ 0.0007022600000000, -0.0005565400000000, 0.0015459600000000 ] - [ 0.0007022600000000, 0.0005565400000000, 0.0015459600000000 ] - [ 0.0012762100000000, 0.0000000000000000, 0.0003087700000000 ] - [ 0.0080361000000000, 0.0000000000000000, -0.0849326000000000 ] - [ -0.0025835000000000, -0.0041534300000000, -0.0013819300000000 ] - [ -0.0025835000000000, 0.0041534300000000, -0.0013819300000000 ] - [ -0.0002660800000000, 0.0000000000000000, 0.0004892600000000 ] - [ -0.0002815900000000, 0.0000004600000000, 0.0001778500000000 ] - [ -0.0002815900000000, -0.0000004600000000, 0.0001778500000000 ] - [ 0.0000047200000000, -0.0000051900000000, -0.0005680200000000 ] - [ 0.0000047200000000, 0.0000051900000000, -0.0005680200000000 ] - [ 0.0000184200000000, 0.0000000000000000, -0.0005414000000000 ] - [ -0.0007604500000000, 0.0000000000000000, -0.0011598300000000 ] - [ -0.0001338500000000, -0.0000063600000000, -0.0002459100000000 ] - [ -0.0001338500000000, 0.0000063600000000, -0.0002459100000000 ] - [ 0.0003250600000000, -0.0000082800000000, 0.0000602500000000 ] - [ 0.0003250600000000, 0.0000082800000000, 0.0000602500000000 ] - [ 0.0002377900000000, 0.0000000000000000, -0.0000254200000000 ] - [ 0.0020447600000000, 0.0000000000000000, 0.0012140000000000 ] - [ 0.0002472400000000, 0.0000567200000000, 0.0002432200000000 ] - [ 0.0002472400000000, -0.0000567200000000, 0.0002432200000000 ] - [ -0.0003880200000000, -0.0000150600000000, -0.0002579800000000 ] - [ -0.0003880200000000, 0.0000150600000000, -0.0002579800000000 ] - [ -0.0002023100000000, 0.0000000000000000, -0.0001626000000000 ] - [ 0.0003764400000000, 0.0000000000000000, 0.0028969300000000 ] - [ -0.0005601900000000, 0.0000123900000000, 0.0005903400000000 ] - [ -0.0005601900000000, -0.0000123900000000, 0.0005903400000000 ] - [ -0.0000984400000000, 0.0000450700000000, -0.0004995200000000 ] - [ -0.0000984400000000, -0.0000450700000000, -0.0004995200000000 ] - [ 0.0001514900000000, 0.0000000000000000, -0.0001314900000000 ] - [ 0.0008893200000000, 0.0000000000000000, -0.0009341200000000 ] - [ 0.0009246900000000, 0.0000352500000000, -0.0009343000000000 ] - [ 0.0009246900000000, -0.0000352500000000, -0.0009343000000000 ] - [ 0.0006008800000000, -0.0001169900000000, 0.0006884000000000 ] - [ 0.0006008800000000, 0.0001169900000000, 0.0006884000000000 ] - [ 0.0005643600000000, 0.0000000000000000, 0.0006356700000000 ] - [ 0.0003117800000000, 0.0000000000000000, -0.0000153600000000 ] - [ 0.0002954100000000, 0.0000320400000000, 0.0000237600000000 ] - [ 0.0002954100000000, -0.0000320400000000, 0.0000237600000000 ] - [ -0.0007295800000000, -0.0000859100000000, -0.0000822400000000 ] - [ -0.0007295800000000, 0.0000859100000000, -0.0000822400000000 ] - [ -0.0007716200000000, 0.0000000000000000, -0.0000675900000000 ] - [ 0.0018191700000000, 0.0000000000000000, -0.0001062100000000 ] - [ 0.0016412600000000, 0.0000309700000000, -0.0001682700000000 ] - [ 0.0016412600000000, -0.0000309700000000, -0.0001682700000000 ] - [ -0.0011138000000000, 0.0000119500000000, 0.0004610300000000 ] - [ -0.0011138000000000, -0.0000119500000000, 0.0004610300000000 ] - [ -0.0010641900000000, 0.0000000000000000, 0.0004827400000000 ]- atom: 100 displacement: [ 0.0020604768976038, 0.0000000000000000, -0.0097854195083523 ] forces: - [ 0.0002883600000000, -0.0035506000000000, -0.0183009500000000 ] - [ 0.0002883600000000, 0.0035506000000000, -0.0183009500000000 ] - [ 0.0017389700000000, 0.0000000000000000, -0.0002276600000000 ] - [ -0.0055628400000000, 0.0000000000000000, 0.0125807600000000 ] - [ -0.0009963900000000, 0.0003286100000000, 0.0021945900000000 ] - [ -0.0009963900000000, -0.0003286100000000, 0.0021945900000000 ] - [ -0.0034243700000000, -0.0038989900000000, 0.0012159700000000 ] - [ -0.0034243700000000, 0.0038989900000000, 0.0012159700000000 ] - [ 0.0000983400000000, 0.0000000000000000, -0.0005154500000000 ] - [ -0.0042020000000000, 0.0000000000000000, 0.0044339800000000 ] - [ 0.0015214400000000, 0.0052879000000000, -0.0022117400000000 ] - [ 0.0015214400000000, -0.0052879000000000, -0.0022117400000000 ] - [ -0.0011128100000000, 0.0004443900000000, 0.0051527700000000 ] - [ -0.0011128100000000, -0.0004443900000000, 0.0051527700000000 ] - [ -0.0013307500000000, 0.0000000000000000, 0.0008045200000000 ] - [ -0.0081350200000000, 0.0000000000000000, -0.0134295500000000 ] - [ -0.0007933800000000, -0.0029716800000000, -0.0002112900000000 ] - [ -0.0007933800000000, 0.0029716800000000, -0.0002112900000000 ] - [ -0.0002210000000000, 0.0000000000000000, 0.0001891400000000 ] - [ 0.0000417500000000, -0.0000049900000000, 0.0001065200000000 ] - [ 0.0000417500000000, 0.0000049900000000, 0.0001065200000000 ] - [ -0.0000657200000000, -0.0000722900000000, -0.0001152800000000 ] - [ -0.0000657200000000, 0.0000722900000000, -0.0001152800000000 ] - [ -0.0001173700000000, 0.0000000000000000, -0.0001106200000000 ] - [ 0.0019140400000000, 0.0000000000000000, -0.0009115800000000 ] - [ 0.0011116900000000, 0.0000672400000000, -0.0001802100000000 ] - [ 0.0011116900000000, -0.0000672400000000, -0.0001802100000000 ] - [ -0.0008000700000000, -0.0000219200000000, -0.0001511700000000 ] - [ -0.0008000700000000, 0.0000219200000000, -0.0001511700000000 ] - [ -0.0006920300000000, 0.0000000000000000, -0.0001934300000000 ] - [ -0.0011648100000000, 0.0000000000000000, 0.0007631400000000 ] - [ -0.0014268100000000, 0.0000892500000000, 0.0000557100000000 ] - [ -0.0014268100000000, -0.0000892500000000, 0.0000557100000000 ] - [ -0.0004495300000000, -0.0000163600000000, 0.0004201100000000 ] - [ -0.0004495300000000, 0.0000163600000000, 0.0004201100000000 ] - [ -0.0003139500000000, 0.0000000000000000, 0.0005013100000000 ] - [ 0.0031010600000000, 0.0000000000000000, 0.0022697700000000 ] - [ 0.0006339100000000, 0.0000336300000000, 0.0006323600000000 ] - [ 0.0006339100000000, -0.0000336300000000, 0.0006323600000000 ] - [ -0.0002308400000000, -0.0000345700000000, -0.0001328000000000 ] - [ -0.0002308400000000, 0.0000345700000000, -0.0001328000000000 ] - [ -0.0000368500000000, 0.0000000000000000, 0.0000942100000000 ] - [ 0.0002967300000000, 0.0000200700000000, -0.0005232900000000 ] - [ 0.0002967300000000, -0.0000200700000000, -0.0005232900000000 ] - [ 0.0001268800000000, 0.0000000000000000, -0.0003277400000000 ] - [ -0.0005416500000000, 0.0000956100000000, -0.0007936000000000 ] - [ -0.0005416500000000, -0.0000956100000000, -0.0007936000000000 ] - [ -0.0001249600000000, 0.0000000000000000, -0.0002432000000000 ] - [ 0.0005531200000000, 0.0000069100000000, 0.0005592800000000 ] - [ 0.0005531200000000, -0.0000069100000000, 0.0005592800000000 ] - [ 0.0004143400000000, 0.0000000000000000, 0.0004214700000000 ] - [ 0.0019949700000000, 0.0000000000000000, 0.0017818100000000 ] - [ 0.0000977500000000, 0.0000686100000000, 0.0001967900000000 ] - [ 0.0000977500000000, -0.0000686100000000, 0.0001967900000000 ] - [ -0.0005086300000000, 0.0000000000000000, 0.0024845500000000 ] - [ -0.0001023200000000, -0.0000311000000000, 0.0002763400000000 ] - [ -0.0001023200000000, 0.0000311000000000, 0.0002763400000000 ] - [ -0.0007080100000000, 0.0000000000000000, -0.0026390900000000 ] - [ -0.0003856000000000, -0.0000375200000000, -0.0004978400000000 ] - [ -0.0003856000000000, 0.0000375200000000, -0.0004978400000000 ] - [ -0.0029280200000000, -0.0058034400000000, -0.0041940800000000 ] - [ -0.0029280200000000, 0.0058034400000000, -0.0041940800000000 ] - [ -0.0004443900000000, 0.0000000000000000, -0.0004684400000000 ] - [ 0.0034681100000000, 0.0000000000000000, -0.0146782800000000 ] - [ -0.0003198800000000, 0.0001883000000000, -0.0022255700000000 ] - [ -0.0003198800000000, -0.0001883000000000, -0.0022255700000000 ] - [ 0.0008953900000000, 0.0028639100000000, 0.0024158600000000 ] - [ 0.0008953900000000, -0.0028639100000000, 0.0024158600000000 ] - [ -0.0004394900000000, 0.0000000000000000, 0.0011799700000000 ] - [ 0.0064443500000000, 0.0000000000000000, -0.0201057600000000 ] - [ 0.0004944900000000, -0.0005719600000000, -0.0012751200000000 ] - [ 0.0004944900000000, 0.0005719600000000, -0.0012751200000000 ] - [ 0.0014597700000000, 0.0001533900000000, -0.0010050800000000 ] - [ 0.0014597700000000, -0.0001533900000000, -0.0010050800000000 ] - [ 0.0004332800000000, 0.0000000000000000, -0.0001763000000000 ] - [ -0.0128725700000000, 0.0000000000000000, 0.0041248400000000 ] - [ -0.0013048200000000, -0.0000200000000000, 0.0019823900000000 ] - [ -0.0013048200000000, 0.0000200000000000, 0.0019823900000000 ] - [ -0.0010917900000000, -0.0000108500000000, 0.0000342800000000 ] - [ -0.0010917900000000, 0.0000108500000000, 0.0000342800000000 ] - [ -0.0007731800000000, 0.0000000000000000, 0.0001165800000000 ] - [ 0.0081719300000000, 0.0000000000000000, -0.0005662500000000 ] - [ 0.0008260800000000, 0.0001585700000000, -0.0000974800000000 ] - [ 0.0008260800000000, -0.0001585700000000, -0.0000974800000000 ] - [ 0.0085636700000000, -0.0134121300000000, 0.0005302500000000 ] - [ 0.0085636700000000, 0.0134121300000000, 0.0005302500000000 ] - [ 0.0006151300000000, 0.0000000000000000, -0.0007718400000000 ] - [ 0.0016909600000000, 0.0000000000000000, -0.0012937100000000 ] - [ 0.0009832300000000, 0.0005932500000000, -0.0000649500000000 ] - [ 0.0009832300000000, -0.0005932500000000, -0.0000649500000000 ] - [ 0.0003149900000000, 0.0186067800000000, -0.0078071200000000 ] - [ 0.0003149900000000, -0.0186067800000000, -0.0078071200000000 ] - [ 0.0010574100000000, 0.0000000000000000, 0.0009760400000000 ] - [ 0.0048881000000000, 0.0000000000000000, -0.0074144500000000 ] - [ -0.0006058000000000, -0.0018049000000000, -0.0006648400000000 ] - [ -0.0006058000000000, 0.0018049000000000, -0.0006648400000000 ] - [ 0.0025512300000000, 0.0005220000000000, -0.0018708900000000 ] - [ 0.0025512300000000, -0.0005220000000000, -0.0018708900000000 ] - [ 0.0019880400000000, 0.0000000000000000, -0.0006320600000000 ] - [ -0.0113156400000000, 0.0000000000000000, 0.0839038100000000 ] - [ 0.0004628500000000, 0.0040570300000000, 0.0023223700000000 ] - [ 0.0004628500000000, -0.0040570300000000, 0.0023223700000000 ] - [ -0.0002333700000000, 0.0000000000000000, -0.0002869300000000 ] - [ -0.0002298000000000, 0.0000006100000000, 0.0000006300000000 ] - [ -0.0002298000000000, -0.0000006100000000, 0.0000006300000000 ] - [ 0.0000038200000000, 0.0000044800000000, -0.0005278000000000 ] - [ 0.0000038200000000, -0.0000044800000000, -0.0005278000000000 ] - [ -0.0000087100000000, 0.0000000000000000, -0.0005513400000000 ] - [ 0.0009070100000000, 0.0000000000000000, 0.0011289900000000 ] - [ 0.0002687100000000, 0.0000070800000000, 0.0002235800000000 ] - [ 0.0002687100000000, -0.0000070800000000, 0.0002235800000000 ] - [ 0.0000368600000000, 0.0000074000000000, -0.0002374200000000 ] - [ 0.0000368600000000, -0.0000074000000000, -0.0002374200000000 ] - [ 0.0001283000000000, 0.0000000000000000, -0.0001519600000000 ] - [ -0.0018084700000000, 0.0000000000000000, -0.0007562100000000 ] - [ -0.0000273700000000, -0.0000552400000000, 0.0002063700000000 ] - [ -0.0000273700000000, 0.0000552400000000, 0.0002063700000000 ] - [ 0.0001089700000000, 0.0000139500000000, 0.0000185000000000 ] - [ 0.0001089700000000, -0.0000139500000000, 0.0000185000000000 ] - [ -0.0000757000000000, 0.0000000000000000, -0.0000758800000000 ] - [ -0.0015649800000000, 0.0000000000000000, -0.0026081000000000 ] - [ -0.0006665300000000, -0.0000102800000000, -0.0003019900000000 ] - [ -0.0006665300000000, 0.0000102800000000, -0.0003019900000000 ] - [ 0.0002759400000000, -0.0000446600000000, 0.0004430800000000 ] - [ 0.0002759400000000, 0.0000446600000000, 0.0004430800000000 ] - [ 0.0000194900000000, 0.0000000000000000, 0.0000734800000000 ] - [ 0.0010278600000000, 0.0000000000000000, -0.0009157400000000 ] - [ 0.0009920700000000, -0.0000334000000000, -0.0009159700000000 ] - [ 0.0009920700000000, 0.0000334000000000, -0.0009159700000000 ] - [ 0.0004992700000000, 0.0001058800000000, 0.0005377100000000 ] - [ 0.0004992700000000, -0.0001058800000000, 0.0005377100000000 ] - [ 0.0005317200000000, 0.0000000000000000, 0.0005896000000000 ] - [ 0.0003401100000000, 0.0000000000000000, 0.0001113200000000 ] - [ 0.0003547800000000, -0.0000308200000000, 0.0000724900000000 ] - [ 0.0003547800000000, 0.0000308200000000, 0.0000724900000000 ] - [ -0.0008375700000000, 0.0000792900000000, -0.0000350800000000 ] - [ -0.0008375700000000, -0.0000792900000000, -0.0000350800000000 ] - [ -0.0007961900000000, 0.0000000000000000, -0.0000498200000000 ] - [ 0.0014571400000000, 0.0000000000000000, -0.0002150300000000 ] - [ 0.0016280000000000, -0.0000311700000000, -0.0001542300000000 ] - [ 0.0016280000000000, 0.0000311700000000, -0.0001542300000000 ] - [ -0.0009682100000000, -0.0000109100000000, 0.0005344400000000 ] - [ -0.0009682100000000, 0.0000109100000000, 0.0005344400000000 ] - [ -0.0010178600000000, 0.0000000000000000, 0.0005138900000000 ]