# Fileset [phonopy_params.yaml.xz](https://mdr.nims.go.jp/filesets/f7e57b2a-1da9-45b4-ba9b-2d7be87125bc/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 Lu6UO12 / R-3 (148) / materials id 20402](https://mdr.nims.go.jp/datasets/211cc304-5773-4263-a186-f728d6fd0007) ## Fulltext phonopy: version: 2.17.1 frequency_unit_conversion_factor: 15.633302 symmetry_tolerance: 1.00000e-05 configuration: save_params: ".true."physical_unit: atomic_mass: "AMU" length: "angstrom" force_constants: "eV/angstrom^2"space_group: type: "R-3" number: 148 Hall_symbol: "-R 3"primitive_matrix:- [ 0.666666666666667, -0.333333333333333, -0.333333333333333 ]- [ 0.333333333333333, 0.333333333333333, -0.666666666666667 ]- [ 0.333333333333333, 0.333333333333333, 0.333333333333333 ]supercell_matrix:- [ 1, 0, 0 ]- [ 0, 1, 0 ]- [ 0, 0, 2 ]primitive_cell: lattice: - [ 4.835869006666671, 2.791990279999997, 3.020913769999997 ] # a - [ -4.835869013333328, 2.791990279999997, 3.020913769999997 ] # b - [ 0.000000006666671, -5.583980560000003, 3.020913769999997 ] # c points: - symbol: O # 1 coordinates: [ 0.177799820000000, 0.585353600000001, 0.424243370000000 ] mass: 15.999400 - symbol: O # 2 coordinates: [ 0.585353610000000, 0.424243360000001, 0.177799820000000 ] mass: 15.999400 - symbol: O # 3 coordinates: [ 0.424243370000000, 0.177799810000001, 0.585353610000000 ] mass: 15.999400 - symbol: O # 4 coordinates: [ 0.822200180000000, 0.414646400000002, 0.575756630000000 ] mass: 15.999400 - symbol: O # 5 coordinates: [ 0.414646390000000, 0.575756640000002, 0.822200180000000 ] mass: 15.999400 - symbol: O # 6 coordinates: [ 0.575756630000000, 0.822200190000002, 0.414646390000000 ] mass: 15.999400 - symbol: O # 7 coordinates: [ 0.916012380000000, 0.685160510000002, 0.050151520000000 ] mass: 15.999400 - symbol: O # 8 coordinates: [ 0.949848480000000, 0.083987620000001, 0.314839490000000 ] mass: 15.999400 - symbol: O # 9 coordinates: [ 0.314839490000000, 0.949848480000001, 0.083987620000000 ] mass: 15.999400 - symbol: O # 10 coordinates: [ 0.083987620000000, 0.314839490000001, 0.949848480000000 ] mass: 15.999400 - symbol: O # 11 coordinates: [ 0.050151520000000, 0.916012380000002, 0.685160510000000 ] mass: 15.999400 - symbol: O # 12 coordinates: [ 0.685160510000000, 0.050151520000002, 0.916012380000000 ] mass: 15.999400 - symbol: Lu # 13 coordinates: [ 0.389862230000000, 0.854466490000002, 0.674142540000000 ] mass: 174.966800 - symbol: Lu # 14 coordinates: [ 0.854466490000000, 0.674142540000002, 0.389862230000000 ] mass: 174.966800 - symbol: Lu # 15 coordinates: [ 0.674142540000000, 0.389862230000002, 0.854466490000000 ] mass: 174.966800 - symbol: Lu # 16 coordinates: [ 0.610137770000000, 0.145533510000001, 0.325857460000000 ] mass: 174.966800 - symbol: Lu # 17 coordinates: [ 0.145533510000000, 0.325857460000001, 0.610137770000000 ] mass: 174.966800 - symbol: Lu # 18 coordinates: [ 0.325857460000000, 0.610137770000001, 0.145533510000000 ] mass: 174.966800 - symbol: U # 19 coordinates: [ 0.000000000000000, 0.000000000000000, 0.000000000000000 ] mass: 238.028910 reciprocal_lattice: # without 2pi - [ 0.103394032999252, 0.059694572794614, 0.110341889478472 ] # a* - [ -0.103394032999252, 0.059694572547731, 0.110341889478472 ] # b* - [ 0.000000000000000, -0.119389145342345, 0.110341889478472 ] # c*unit_cell: lattice: - [ 9.671738019999999, 0.000000000000000, 0.000000000000000 ] # a - [ -4.835869020000000, 8.375970840000001, 0.000000000000000 ] # b - [ 0.000000000000000, 0.000000000000000, 9.062741310000000 ] # c points: - symbol: O # 1 coordinates: [ 0.782000890000000, 0.971555560000000, 0.395798930000000 ] mass: 15.999400 reduced_to: 1 - symbol: O # 2 coordinates: [ 0.189554680000000, 0.217999110000000, 0.395798930000000 ] mass: 15.999400 reduced_to: 2 - symbol: O # 3 coordinates: [ 0.028444440000000, 0.810445320000000, 0.395798930000000 ] mass: 15.999400 reduced_to: 3 - symbol: O # 4 coordinates: [ 0.217999110000000, 0.028444440000000, 0.604201070000000 ] mass: 15.999400 reduced_to: 4 - symbol: O # 5 coordinates: [ 0.810445320000000, 0.782000890000000, 0.604201070000000 ] mass: 15.999400 reduced_to: 5 - symbol: O # 6 coordinates: [ 0.971555560000000, 0.189554680000000, 0.604201070000000 ] mass: 15.999400 reduced_to: 6 - symbol: O # 7 coordinates: [ 0.365570910000000, 0.500289950000000, 0.550441470000000 ] mass: 15.999400 reduced_to: 7 - symbol: O # 8 coordinates: [ 0.500289950000000, 0.134719040000000, 0.449558530000000 ] mass: 15.999400 reduced_to: 8 - symbol: O # 9 coordinates: [ 0.865280960000000, 0.365570910000000, 0.449558530000000 ] mass: 15.999400 reduced_to: 9 - symbol: O # 10 coordinates: [ 0.634429090000000, 0.499710050000000, 0.449558530000000 ] mass: 15.999400 reduced_to: 10 - symbol: O # 11 coordinates: [ 0.499710050000000, 0.865280960000000, 0.550441470000000 ] mass: 15.999400 reduced_to: 11 - symbol: O # 12 coordinates: [ 0.134719040000000, 0.634429090000000, 0.550441470000000 ] mass: 15.999400 reduced_to: 12 - symbol: O # 13 coordinates: [ 0.448667560000000, 0.304888890000000, 0.729132270000000 ] mass: 15.999400 reduced_to: 1 - symbol: O # 14 coordinates: [ 0.856221350000000, 0.551332440000000, 0.729132270000000 ] mass: 15.999400 reduced_to: 2 - symbol: O # 15 coordinates: [ 0.695111110000000, 0.143778650000000, 0.729132270000000 ] mass: 15.999400 reduced_to: 3 - symbol: O # 16 coordinates: [ 0.884665780000000, 0.361777770000000, 0.937534400000000 ] mass: 15.999400 reduced_to: 4 - symbol: O # 17 coordinates: [ 0.477111990000000, 0.115334220000000, 0.937534400000000 ] mass: 15.999400 reduced_to: 5 - symbol: O # 18 coordinates: [ 0.638222230000000, 0.522888010000000, 0.937534400000000 ] mass: 15.999400 reduced_to: 6 - symbol: O # 19 coordinates: [ 0.032237580000000, 0.833623280000000, 0.883774800000000 ] mass: 15.999400 reduced_to: 7 - symbol: O # 20 coordinates: [ 0.166956610000000, 0.468052370000000, 0.782891860000000 ] mass: 15.999400 reduced_to: 8 - symbol: O # 21 coordinates: [ 0.531947630000000, 0.698904240000000, 0.782891860000000 ] mass: 15.999400 reduced_to: 9 - symbol: O # 22 coordinates: [ 0.301095760000000, 0.833043390000000, 0.782891860000000 ] mass: 15.999400 reduced_to: 10 - symbol: O # 23 coordinates: [ 0.166376720000000, 0.198614300000000, 0.883774800000000 ] mass: 15.999400 reduced_to: 11 - symbol: O # 24 coordinates: [ 0.801385700000000, 0.967762420000000, 0.883774800000000 ] mass: 15.999400 reduced_to: 12 - symbol: O # 25 coordinates: [ 0.115334220000000, 0.638222230000000, 0.062465600000000 ] mass: 15.999400 reduced_to: 1 - symbol: O # 26 coordinates: [ 0.522888010000000, 0.884665780000000, 0.062465600000000 ] mass: 15.999400 reduced_to: 2 - symbol: O # 27 coordinates: [ 0.361777770000000, 0.477111990000000, 0.062465600000000 ] mass: 15.999400 reduced_to: 3 - symbol: O # 28 coordinates: [ 0.551332440000000, 0.695111110000000, 0.270867730000000 ] mass: 15.999400 reduced_to: 4 - symbol: O # 29 coordinates: [ 0.143778650000000, 0.448667560000000, 0.270867730000000 ] mass: 15.999400 reduced_to: 5 - symbol: O # 30 coordinates: [ 0.304888890000000, 0.856221350000000, 0.270867730000000 ] mass: 15.999400 reduced_to: 6 - symbol: O # 31 coordinates: [ 0.698904240000000, 0.166956610000000, 0.217108140000000 ] mass: 15.999400 reduced_to: 7 - symbol: O # 32 coordinates: [ 0.833623280000000, 0.801385700000000, 0.116225200000000 ] mass: 15.999400 reduced_to: 8 - symbol: O # 33 coordinates: [ 0.198614300000000, 0.032237580000000, 0.116225200000000 ] mass: 15.999400 reduced_to: 9 - symbol: O # 34 coordinates: [ 0.967762420000000, 0.166376720000000, 0.116225200000000 ] mass: 15.999400 reduced_to: 10 - symbol: O # 35 coordinates: [ 0.833043390000000, 0.531947630000000, 0.217108140000000 ] mass: 15.999400 reduced_to: 11 - symbol: O # 36 coordinates: [ 0.468052370000000, 0.301095760000000, 0.217108140000000 ] mass: 15.999400 reduced_to: 12 - symbol: Lu # 37 coordinates: [ 0.750371810000000, 0.965347880000000, 0.639490420000000 ] mass: 174.966800 reduced_to: 37 - symbol: Lu # 38 coordinates: [ 0.214976070000000, 0.249628190000000, 0.639490420000000 ] mass: 174.966800 reduced_to: 38 - symbol: Lu # 39 coordinates: [ 0.034652120000000, 0.785023930000000, 0.639490420000000 ] mass: 174.966800 reduced_to: 39 - symbol: Lu # 40 coordinates: [ 0.249628190000000, 0.034652120000000, 0.360509580000000 ] mass: 174.966800 reduced_to: 40 - symbol: Lu # 41 coordinates: [ 0.785023930000000, 0.750371810000000, 0.360509580000000 ] mass: 174.966800 reduced_to: 41 - symbol: Lu # 42 coordinates: [ 0.965347880000000, 0.214976070000000, 0.360509580000000 ] mass: 174.966800 reduced_to: 42 - symbol: Lu # 43 coordinates: [ 0.417038480000000, 0.298681220000000, 0.972823760000000 ] mass: 174.966800 reduced_to: 37 - symbol: Lu # 44 coordinates: [ 0.881642740000000, 0.582961520000000, 0.972823760000000 ] mass: 174.966800 reduced_to: 38 - symbol: Lu # 45 coordinates: [ 0.701318780000000, 0.118357260000000, 0.972823760000000 ] mass: 174.966800 reduced_to: 39 - symbol: Lu # 46 coordinates: [ 0.916294860000000, 0.367985450000000, 0.693842910000000 ] mass: 174.966800 reduced_to: 40 - symbol: Lu # 47 coordinates: [ 0.451690590000000, 0.083705140000000, 0.693842910000000 ] mass: 174.966800 reduced_to: 41 - symbol: Lu # 48 coordinates: [ 0.632014550000000, 0.548309410000000, 0.693842910000000 ] mass: 174.966800 reduced_to: 42 - symbol: Lu # 49 coordinates: [ 0.083705140000000, 0.632014550000000, 0.306157090000000 ] mass: 174.966800 reduced_to: 37 - symbol: Lu # 50 coordinates: [ 0.548309410000000, 0.916294860000000, 0.306157090000000 ] mass: 174.966800 reduced_to: 38 - symbol: Lu # 51 coordinates: [ 0.367985450000000, 0.451690590000000, 0.306157090000000 ] mass: 174.966800 reduced_to: 39 - symbol: Lu # 52 coordinates: [ 0.582961520000000, 0.701318780000000, 0.027176240000000 ] mass: 174.966800 reduced_to: 40 - symbol: Lu # 53 coordinates: [ 0.118357260000000, 0.417038480000000, 0.027176240000000 ] mass: 174.966800 reduced_to: 41 - symbol: Lu # 54 coordinates: [ 0.298681220000000, 0.881642740000000, 0.027176240000000 ] mass: 174.966800 reduced_to: 42 - symbol: U # 55 coordinates: [ 0.000000000000000, 0.000000000000000, 0.000000000000000 ] mass: 238.028910 reduced_to: 55 - symbol: U # 56 coordinates: [ 0.666666670000000, 0.333333330000000, 0.333333330000000 ] mass: 238.028910 reduced_to: 55 - symbol: U # 57 coordinates: [ 0.333333330000000, 0.666666670000000, 0.666666670000000 ] mass: 238.028910 reduced_to: 55supercell: lattice: - [ 9.671738019999999, 0.000000000000000, 0.000000000000000 ] # a - [ -4.835869020000000, 8.375970840000001, 0.000000000000000 ] # b - [ 0.000000000000000, 0.000000000000000, 18.125482620000000 ] # c points: - symbol: O # 1 coordinates: [ 0.782000890000000, 0.971555560000000, 0.197899465000000 ] mass: 15.999400 reduced_to: 1 - symbol: O # 2 coordinates: [ 0.782000890000000, 0.971555560000000, 0.697899465000000 ] mass: 15.999400 reduced_to: 1 - symbol: O # 3 coordinates: [ 0.189554680000000, 0.217999110000000, 0.197899465000000 ] mass: 15.999400 reduced_to: 3 - symbol: O # 4 coordinates: [ 0.189554680000000, 0.217999110000000, 0.697899465000000 ] mass: 15.999400 reduced_to: 3 - symbol: O # 5 coordinates: [ 0.028444440000000, 0.810445320000000, 0.197899465000000 ] mass: 15.999400 reduced_to: 5 - symbol: O # 6 coordinates: [ 0.028444440000000, 0.810445320000000, 0.697899465000000 ] mass: 15.999400 reduced_to: 5 - symbol: O # 7 coordinates: [ 0.217999110000000, 0.028444440000000, 0.302100535000000 ] mass: 15.999400 reduced_to: 7 - symbol: O # 8 coordinates: [ 0.217999110000000, 0.028444440000000, 0.802100535000000 ] mass: 15.999400 reduced_to: 7 - symbol: O # 9 coordinates: [ 0.810445320000000, 0.782000890000000, 0.302100535000000 ] mass: 15.999400 reduced_to: 9 - symbol: O # 10 coordinates: [ 0.810445320000000, 0.782000890000000, 0.802100535000000 ] mass: 15.999400 reduced_to: 9 - symbol: O # 11 coordinates: [ 0.971555560000000, 0.189554680000000, 0.302100535000000 ] mass: 15.999400 reduced_to: 11 - symbol: O # 12 coordinates: [ 0.971555560000000, 0.189554680000000, 0.802100535000000 ] mass: 15.999400 reduced_to: 11 - symbol: O # 13 coordinates: [ 0.365570910000000, 0.500289950000000, 0.275220735000000 ] mass: 15.999400 reduced_to: 13 - symbol: O # 14 coordinates: [ 0.365570910000000, 0.500289950000000, 0.775220735000000 ] mass: 15.999400 reduced_to: 13 - symbol: O # 15 coordinates: [ 0.500289950000000, 0.134719040000000, 0.224779265000000 ] mass: 15.999400 reduced_to: 15 - symbol: O # 16 coordinates: [ 0.500289950000000, 0.134719040000000, 0.724779265000000 ] mass: 15.999400 reduced_to: 15 - symbol: O # 17 coordinates: [ 0.865280960000000, 0.365570910000000, 0.224779265000000 ] mass: 15.999400 reduced_to: 17 - symbol: O # 18 coordinates: [ 0.865280960000000, 0.365570910000000, 0.724779265000000 ] mass: 15.999400 reduced_to: 17 - symbol: O # 19 coordinates: [ 0.634429090000000, 0.499710050000000, 0.224779265000000 ] mass: 15.999400 reduced_to: 19 - symbol: O # 20 coordinates: [ 0.634429090000000, 0.499710050000000, 0.724779265000000 ] mass: 15.999400 reduced_to: 19 - symbol: O # 21 coordinates: [ 0.499710050000000, 0.865280960000000, 0.275220735000000 ] mass: 15.999400 reduced_to: 21 - symbol: O # 22 coordinates: [ 0.499710050000000, 0.865280960000000, 0.775220735000000 ] mass: 15.999400 reduced_to: 21 - symbol: O # 23 coordinates: [ 0.134719040000000, 0.634429090000000, 0.275220735000000 ] mass: 15.999400 reduced_to: 23 - symbol: O # 24 coordinates: [ 0.134719040000000, 0.634429090000000, 0.775220735000000 ] mass: 15.999400 reduced_to: 23 - symbol: O # 25 coordinates: [ 0.448667560000000, 0.304888890000000, 0.364566135000000 ] mass: 15.999400 reduced_to: 1 - symbol: O # 26 coordinates: [ 0.448667560000000, 0.304888890000000, 0.864566135000000 ] mass: 15.999400 reduced_to: 1 - symbol: O # 27 coordinates: [ 0.856221350000000, 0.551332440000000, 0.364566135000000 ] mass: 15.999400 reduced_to: 3 - symbol: O # 28 coordinates: [ 0.856221350000000, 0.551332440000000, 0.864566135000000 ] mass: 15.999400 reduced_to: 3 - symbol: O # 29 coordinates: [ 0.695111110000000, 0.143778650000000, 0.364566135000000 ] mass: 15.999400 reduced_to: 5 - symbol: O # 30 coordinates: [ 0.695111110000000, 0.143778650000000, 0.864566135000000 ] mass: 15.999400 reduced_to: 5 - symbol: O # 31 coordinates: [ 0.884665780000000, 0.361777770000000, 0.468767200000000 ] mass: 15.999400 reduced_to: 7 - symbol: O # 32 coordinates: [ 0.884665780000000, 0.361777770000000, 0.968767200000000 ] mass: 15.999400 reduced_to: 7 - symbol: O # 33 coordinates: [ 0.477111990000000, 0.115334220000000, 0.468767200000000 ] mass: 15.999400 reduced_to: 9 - symbol: O # 34 coordinates: [ 0.477111990000000, 0.115334220000000, 0.968767200000000 ] mass: 15.999400 reduced_to: 9 - symbol: O # 35 coordinates: [ 0.638222230000000, 0.522888010000000, 0.468767200000000 ] mass: 15.999400 reduced_to: 11 - symbol: O # 36 coordinates: [ 0.638222230000000, 0.522888010000000, 0.968767200000000 ] mass: 15.999400 reduced_to: 11 - symbol: O # 37 coordinates: [ 0.032237580000000, 0.833623280000000, 0.441887400000000 ] mass: 15.999400 reduced_to: 13 - symbol: O # 38 coordinates: [ 0.032237580000000, 0.833623280000000, 0.941887400000000 ] mass: 15.999400 reduced_to: 13 - symbol: O # 39 coordinates: [ 0.166956610000000, 0.468052370000000, 0.391445930000000 ] mass: 15.999400 reduced_to: 15 - symbol: O # 40 coordinates: [ 0.166956610000000, 0.468052370000000, 0.891445930000000 ] mass: 15.999400 reduced_to: 15 - symbol: O # 41 coordinates: [ 0.531947630000000, 0.698904240000000, 0.391445930000000 ] mass: 15.999400 reduced_to: 17 - symbol: O # 42 coordinates: [ 0.531947630000000, 0.698904240000000, 0.891445930000000 ] mass: 15.999400 reduced_to: 17 - symbol: O # 43 coordinates: [ 0.301095760000000, 0.833043390000000, 0.391445930000000 ] mass: 15.999400 reduced_to: 19 - symbol: O # 44 coordinates: [ 0.301095760000000, 0.833043390000000, 0.891445930000000 ] mass: 15.999400 reduced_to: 19 - symbol: O # 45 coordinates: [ 0.166376720000000, 0.198614300000000, 0.441887400000000 ] mass: 15.999400 reduced_to: 21 - symbol: O # 46 coordinates: [ 0.166376720000000, 0.198614300000000, 0.941887400000000 ] mass: 15.999400 reduced_to: 21 - symbol: O # 47 coordinates: [ 0.801385700000000, 0.967762420000000, 0.441887400000000 ] mass: 15.999400 reduced_to: 23 - symbol: O # 48 coordinates: [ 0.801385700000000, 0.967762420000000, 0.941887400000000 ] mass: 15.999400 reduced_to: 23 - symbol: O # 49 coordinates: [ 0.115334220000000, 0.638222230000000, 0.031232800000000 ] mass: 15.999400 reduced_to: 1 - symbol: O # 50 coordinates: [ 0.115334220000000, 0.638222230000000, 0.531232800000000 ] mass: 15.999400 reduced_to: 1 - symbol: O # 51 coordinates: [ 0.522888010000000, 0.884665780000000, 0.031232800000000 ] mass: 15.999400 reduced_to: 3 - symbol: O # 52 coordinates: [ 0.522888010000000, 0.884665780000000, 0.531232800000000 ] mass: 15.999400 reduced_to: 3 - symbol: O # 53 coordinates: [ 0.361777770000000, 0.477111990000000, 0.031232800000000 ] mass: 15.999400 reduced_to: 5 - symbol: O # 54 coordinates: [ 0.361777770000000, 0.477111990000000, 0.531232800000000 ] mass: 15.999400 reduced_to: 5 - symbol: O # 55 coordinates: [ 0.551332440000000, 0.695111110000000, 0.135433865000000 ] mass: 15.999400 reduced_to: 7 - symbol: O # 56 coordinates: [ 0.551332440000000, 0.695111110000000, 0.635433865000000 ] mass: 15.999400 reduced_to: 7 - symbol: O # 57 coordinates: [ 0.143778650000000, 0.448667560000000, 0.135433865000000 ] mass: 15.999400 reduced_to: 9 - symbol: O # 58 coordinates: [ 0.143778650000000, 0.448667560000000, 0.635433865000000 ] mass: 15.999400 reduced_to: 9 - symbol: O # 59 coordinates: [ 0.304888890000000, 0.856221350000000, 0.135433865000000 ] mass: 15.999400 reduced_to: 11 - symbol: O # 60 coordinates: [ 0.304888890000000, 0.856221350000000, 0.635433865000000 ] mass: 15.999400 reduced_to: 11 - symbol: O # 61 coordinates: [ 0.698904240000000, 0.166956610000000, 0.108554070000000 ] mass: 15.999400 reduced_to: 13 - symbol: O # 62 coordinates: [ 0.698904240000000, 0.166956610000000, 0.608554070000000 ] mass: 15.999400 reduced_to: 13 - symbol: O # 63 coordinates: [ 0.833623280000000, 0.801385700000000, 0.058112600000000 ] mass: 15.999400 reduced_to: 15 - symbol: O # 64 coordinates: [ 0.833623280000000, 0.801385700000000, 0.558112600000000 ] mass: 15.999400 reduced_to: 15 - symbol: O # 65 coordinates: [ 0.198614300000000, 0.032237580000000, 0.058112600000000 ] mass: 15.999400 reduced_to: 17 - symbol: O # 66 coordinates: [ 0.198614300000000, 0.032237580000000, 0.558112600000000 ] mass: 15.999400 reduced_to: 17 - symbol: O # 67 coordinates: [ 0.967762420000000, 0.166376720000000, 0.058112600000000 ] mass: 15.999400 reduced_to: 19 - symbol: O # 68 coordinates: [ 0.967762420000000, 0.166376720000000, 0.558112600000000 ] mass: 15.999400 reduced_to: 19 - symbol: O # 69 coordinates: [ 0.833043390000000, 0.531947630000000, 0.108554070000000 ] mass: 15.999400 reduced_to: 21 - symbol: O # 70 coordinates: [ 0.833043390000000, 0.531947630000000, 0.608554070000000 ] mass: 15.999400 reduced_to: 21 - symbol: O # 71 coordinates: [ 0.468052370000000, 0.301095760000000, 0.108554070000000 ] mass: 15.999400 reduced_to: 23 - symbol: O # 72 coordinates: [ 0.468052370000000, 0.301095760000000, 0.608554070000000 ] mass: 15.999400 reduced_to: 23 - symbol: Lu # 73 coordinates: [ 0.750371810000000, 0.965347880000000, 0.319745210000000 ] mass: 174.966800 reduced_to: 73 - symbol: Lu # 74 coordinates: [ 0.750371810000000, 0.965347880000000, 0.819745210000000 ] mass: 174.966800 reduced_to: 73 - symbol: Lu # 75 coordinates: [ 0.214976070000000, 0.249628190000000, 0.319745210000000 ] mass: 174.966800 reduced_to: 75 - symbol: Lu # 76 coordinates: [ 0.214976070000000, 0.249628190000000, 0.819745210000000 ] mass: 174.966800 reduced_to: 75 - symbol: Lu # 77 coordinates: [ 0.034652120000000, 0.785023930000000, 0.319745210000000 ] mass: 174.966800 reduced_to: 77 - symbol: Lu # 78 coordinates: [ 0.034652120000000, 0.785023930000000, 0.819745210000000 ] mass: 174.966800 reduced_to: 77 - symbol: Lu # 79 coordinates: [ 0.249628190000000, 0.034652120000000, 0.180254790000000 ] mass: 174.966800 reduced_to: 79 - symbol: Lu # 80 coordinates: [ 0.249628190000000, 0.034652120000000, 0.680254790000000 ] mass: 174.966800 reduced_to: 79 - symbol: Lu # 81 coordinates: [ 0.785023930000000, 0.750371810000000, 0.180254790000000 ] mass: 174.966800 reduced_to: 81 - symbol: Lu # 82 coordinates: [ 0.785023930000000, 0.750371810000000, 0.680254790000000 ] mass: 174.966800 reduced_to: 81 - symbol: Lu # 83 coordinates: [ 0.965347880000000, 0.214976070000000, 0.180254790000000 ] mass: 174.966800 reduced_to: 83 - symbol: Lu # 84 coordinates: [ 0.965347880000000, 0.214976070000000, 0.680254790000000 ] mass: 174.966800 reduced_to: 83 - symbol: Lu # 85 coordinates: [ 0.417038480000000, 0.298681220000000, 0.486411880000000 ] mass: 174.966800 reduced_to: 73 - symbol: Lu # 86 coordinates: [ 0.417038480000000, 0.298681220000000, 0.986411880000000 ] mass: 174.966800 reduced_to: 73 - symbol: Lu # 87 coordinates: [ 0.881642740000000, 0.582961520000000, 0.486411880000000 ] mass: 174.966800 reduced_to: 75 - symbol: Lu # 88 coordinates: [ 0.881642740000000, 0.582961520000000, 0.986411880000000 ] mass: 174.966800 reduced_to: 75 - symbol: Lu # 89 coordinates: [ 0.701318780000000, 0.118357260000000, 0.486411880000000 ] mass: 174.966800 reduced_to: 77 - symbol: Lu # 90 coordinates: [ 0.701318780000000, 0.118357260000000, 0.986411880000000 ] mass: 174.966800 reduced_to: 77 - symbol: Lu # 91 coordinates: [ 0.916294860000000, 0.367985450000000, 0.346921455000000 ] mass: 174.966800 reduced_to: 79 - symbol: Lu # 92 coordinates: [ 0.916294860000000, 0.367985450000000, 0.846921455000000 ] mass: 174.966800 reduced_to: 79 - symbol: Lu # 93 coordinates: [ 0.451690590000000, 0.083705140000000, 0.346921455000000 ] mass: 174.966800 reduced_to: 81 - symbol: Lu # 94 coordinates: [ 0.451690590000000, 0.083705140000000, 0.846921455000000 ] mass: 174.966800 reduced_to: 81 - symbol: Lu # 95 coordinates: [ 0.632014550000000, 0.548309410000000, 0.346921455000000 ] mass: 174.966800 reduced_to: 83 - symbol: Lu # 96 coordinates: [ 0.632014550000000, 0.548309410000000, 0.846921455000000 ] mass: 174.966800 reduced_to: 83 - symbol: Lu # 97 coordinates: [ 0.083705140000000, 0.632014550000000, 0.153078545000000 ] mass: 174.966800 reduced_to: 73 - symbol: Lu # 98 coordinates: [ 0.083705140000000, 0.632014550000000, 0.653078545000000 ] mass: 174.966800 reduced_to: 73 - symbol: Lu # 99 coordinates: [ 0.548309410000000, 0.916294860000000, 0.153078545000000 ] mass: 174.966800 reduced_to: 75 - symbol: Lu # 100 coordinates: [ 0.548309410000000, 0.916294860000000, 0.653078545000000 ] mass: 174.966800 reduced_to: 75 - symbol: Lu # 101 coordinates: [ 0.367985450000000, 0.451690590000000, 0.153078545000000 ] mass: 174.966800 reduced_to: 77 - symbol: Lu # 102 coordinates: [ 0.367985450000000, 0.451690590000000, 0.653078545000000 ] mass: 174.966800 reduced_to: 77 - symbol: Lu # 103 coordinates: [ 0.582961520000000, 0.701318780000000, 0.013588120000000 ] mass: 174.966800 reduced_to: 79 - symbol: Lu # 104 coordinates: [ 0.582961520000000, 0.701318780000000, 0.513588120000000 ] mass: 174.966800 reduced_to: 79 - symbol: Lu # 105 coordinates: [ 0.118357260000000, 0.417038480000000, 0.013588120000000 ] mass: 174.966800 reduced_to: 81 - symbol: Lu # 106 coordinates: [ 0.118357260000000, 0.417038480000000, 0.513588120000000 ] mass: 174.966800 reduced_to: 81 - symbol: Lu # 107 coordinates: [ 0.298681220000000, 0.881642740000000, 0.013588120000000 ] mass: 174.966800 reduced_to: 83 - symbol: Lu # 108 coordinates: [ 0.298681220000000, 0.881642740000000, 0.513588120000000 ] mass: 174.966800 reduced_to: 83 - symbol: U # 109 coordinates: [ 0.000000000000000, 0.000000000000000, 0.000000000000000 ] mass: 238.028910 reduced_to: 109 - symbol: U # 110 coordinates: [ 0.000000000000000, 0.000000000000000, 0.500000000000000 ] mass: 238.028910 reduced_to: 109 - symbol: U # 111 coordinates: [ 0.666666670000000, 0.333333330000000, 0.166666665000000 ] mass: 238.028910 reduced_to: 109 - symbol: U # 112 coordinates: [ 0.666666670000000, 0.333333330000000, 0.666666665000000 ] mass: 238.028910 reduced_to: 109 - symbol: U # 113 coordinates: [ 0.333333330000000, 0.666666670000000, 0.333333335000000 ] mass: 238.028910 reduced_to: 109 - symbol: U # 114 coordinates: [ 0.333333330000000, 0.666666670000000, 0.833333335000000 ] mass: 238.028910 reduced_to: 109displacements:- atom: 1 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.1045745400000000, -0.0120434700000000, -0.0152136800000000 ] - [ -0.0000151700000000, 0.0000190200000000, 0.0000202400000000 ] - [ 0.0048893300000000, 0.0040747400000000, 0.0006445500000000 ] - [ 0.0000083000000000, -0.0000237900000000, 0.0000135500000000 ] - [ 0.0081701900000000, -0.0021884100000000, 0.0003095800000000 ] - [ -0.0000209900000000, 0.0000057200000000, 0.0000158100000000 ] - [ 0.0019678900000000, 0.0003012700000000, 0.0005081100000000 ] - [ 0.0001125700000000, -0.0000173200000000, -0.0001571400000000 ] - [ 0.0006629500000000, -0.0078375100000000, 0.0115546300000000 ] - [ -0.0000631100000000, 0.0000063400000000, -0.0001774800000000 ] - [ -0.0025682500000000, 0.0059387300000000, 0.0072111500000000 ] - [ -0.0000406300000000, 0.0000083200000000, -0.0001805700000000 ] - [ -0.0010990600000000, 0.0027449800000000, 0.0011578500000000 ] - [ 0.0001045400000000, 0.0000767200000000, -0.0000921000000000 ] - [ 0.0025660600000000, -0.0026397600000000, -0.0000034000000000 ] - [ 0.0000430800000000, -0.0001752500000000, 0.0001937000000000 ] - [ -0.0030216000000000, -0.0006112700000000, 0.0001438400000000 ] - [ 0.0000948500000000, 0.0000725300000000, 0.0001223000000000 ] - [ -0.0002460800000000, -0.0074952500000000, 0.0007581600000000 ] - [ -0.0001340300000000, 0.0000290800000000, 0.0001032800000000 ] - [ 0.0134001200000000, 0.0112905200000000, -0.0146881600000000 ] - [ -0.0000947900000000, 0.0000775500000000, -0.0000770800000000 ] - [ 0.0027170900000000, -0.0000299900000000, 0.0008790300000000 ] - [ 0.0000254500000000, -0.0000675100000000, -0.0000837900000000 ] - [ 0.0003552200000000, -0.0010160500000000, 0.0004703900000000 ] - [ 0.0002216000000000, -0.0000639900000000, 0.0000272000000000 ] - [ 0.0005727600000000, -0.0007798800000000, 0.0008061500000000 ] - [ -0.0000221100000000, -0.0001788400000000, -0.0001307000000000 ] - [ -0.0006248600000000, -0.0008310300000000, -0.0008889500000000 ] - [ -0.0001973900000000, -0.0000555300000000, 0.0003891500000000 ] - [ 0.0000567400000000, -0.0002993300000000, 0.0001290400000000 ] - [ -0.0005586200000000, -0.0005434800000000, 0.0000225300000000 ] - [ 0.0001805300000000, -0.0002596700000000, -0.0003133600000000 ] - [ 0.0006603400000000, -0.0004570200000000, 0.0004883700000000 ] - [ -0.0002443500000000, 0.0000207000000000, 0.0004016300000000 ] - [ -0.0003905700000000, -0.0001432300000000, -0.0001339200000000 ] - [ 0.0002306800000000, 0.0004398500000000, 0.0008918000000000 ] - [ 0.0009517600000000, -0.0004972400000000, -0.0007033500000000 ] - [ 0.0004916200000000, 0.0013549500000000, -0.0000688700000000 ] - [ 0.0000595400000000, 0.0001937400000000, -0.0002448200000000 ] - [ -0.0025149000000000, 0.0004825800000000, -0.0009473700000000 ] - [ -0.0000170600000000, 0.0002213000000000, 0.0004714100000000 ] - [ 0.0013599500000000, -0.0008849600000000, -0.0010872700000000 ] - [ 0.0000135100000000, 0.0002912300000000, 0.0006930800000000 ] - [ -0.0001238300000000, -0.0000804000000000, 0.0006764600000000 ] - [ 0.0005126700000000, 0.0007655300000000, -0.0006169700000000 ] - [ -0.0015130300000000, -0.0003670900000000, -0.0025737000000000 ] - [ -0.0019538900000000, -0.0002159900000000, -0.0007134600000000 ] - [ 0.0003617200000000, 0.0013214000000000, 0.0002548500000000 ] - [ 0.0002220300000000, 0.0000917200000000, 0.0000189000000000 ] - [ -0.0004241400000000, 0.0006932800000000, 0.0061390600000000 ] - [ -0.0000258000000000, -0.0000424500000000, -0.0000929400000000 ] - [ 0.0007580600000000, 0.0008894900000000, 0.0002105000000000 ] - [ -0.0000692300000000, 0.0001509900000000, 0.0000220600000000 ] - [ -0.0057580200000000, 0.0108016700000000, 0.0040171100000000 ] - [ -0.0000472900000000, 0.0000063600000000, -0.0001394000000000 ] - [ 0.0023396900000000, 0.0051342300000000, -0.0024972600000000 ] - [ -0.0000023200000000, 0.0000409400000000, -0.0000854900000000 ] - [ 0.0176209000000000, 0.0036885300000000, 0.0013015400000000 ] - [ 0.0000776300000000, 0.0000079300000000, -0.0001535700000000 ] - [ 0.0059198000000000, -0.0113317300000000, 0.0048248800000000 ] - [ 0.0001478100000000, -0.0001358500000000, -0.0001814600000000 ] - [ 0.0001479600000000, -0.0008789500000000, -0.0057787000000000 ] - [ -0.0000558400000000, -0.0000390600000000, 0.0000852200000000 ] - [ 0.0025404500000000, -0.0003227100000000, 0.0000468200000000 ] - [ 0.0002270200000000, 0.0000791300000000, 0.0001579200000000 ] - [ -0.0004726600000000, 0.0012103900000000, -0.0042744300000000 ] - [ -0.0001698200000000, -0.0000530300000000, 0.0000662600000000 ] - [ 0.0007802100000000, -0.0029933200000000, -0.0003267700000000 ] - [ -0.0000167500000000, 0.0000788400000000, 0.0000507500000000 ] - [ 0.0012002900000000, -0.0001239600000000, -0.0001302800000000 ] - [ -0.0000764100000000, -0.0000910000000000, -0.0000189000000000 ] - [ 0.0177818700000000, 0.0000225100000000, -0.0014910500000000 ] - [ 0.0002114000000000, 0.0000065800000000, 0.0003365800000000 ] - [ -0.0021541600000000, -0.0019860000000000, -0.0024572700000000 ] - [ -0.0000297400000000, -0.0000667500000000, 0.0004552800000000 ] - [ -0.0046244300000000, 0.0007528600000000, -0.0027529500000000 ] - [ -0.0001544600000000, -0.0000130900000000, 0.0004509300000000 ] - [ -0.0085159700000000, 0.0011303500000000, 0.0018346800000000 ] - [ -0.0000138000000000, 0.0000191800000000, -0.0000679300000000 ] - [ 0.0231911800000000, -0.0074102600000000, -0.0027820500000000 ] - [ 0.0000257900000000, -0.0000341300000000, -0.0000445700000000 ] - [ 0.0134309700000000, 0.0085774600000000, -0.0002021300000000 ] - [ 0.0000103100000000, 0.0000333400000000, -0.0000326700000000 ] - [ -0.0001342400000000, 0.0000626500000000, -0.0002272100000000 ] - [ -0.0008451800000000, -0.0000553100000000, 0.0000464500000000 ] - [ -0.0002455900000000, 0.0001563900000000, -0.0006535500000000 ] - [ -0.0006589800000000, 0.0011027300000000, 0.0006617400000000 ] - [ 0.0001436100000000, 0.0002354700000000, 0.0004432100000000 ] - [ 0.0021942100000000, 0.0013543900000000, -0.0024376600000000 ] - [ 0.0011656200000000, -0.0005803200000000, -0.0004441800000000 ] - [ 0.0001469100000000, 0.0000739200000000, -0.0000302600000000 ] - [ -0.0024019500000000, 0.0017867700000000, 0.0011507300000000 ] - [ -0.0002647600000000, 0.0000453300000000, -0.0004459400000000 ] - [ 0.0022266300000000, 0.0023802800000000, -0.0019839200000000 ] - [ 0.0001193800000000, 0.0000971400000000, 0.0000154700000000 ] - [ -0.0030094000000000, -0.0022046300000000, 0.0007569400000000 ] - [ -0.0001221700000000, -0.0000092400000000, 0.0000629300000000 ] - [ 0.0261062300000000, 0.0040248400000000, 0.0065437600000000 ] - [ 0.0000728100000000, 0.0000745300000000, 0.0001355800000000 ] - [ -0.0019102000000000, -0.0042530600000000, 0.0010657400000000 ] - [ 0.0000346600000000, -0.0001171400000000, 0.0000738100000000 ] - [ 0.0031463200000000, -0.0009705600000000, -0.0018246900000000 ] - [ 0.0004229900000000, -0.0002006100000000, 0.0003314900000000 ] - [ 0.0002079000000000, -0.0013572900000000, 0.0012441500000000 ] - [ -0.0000790000000000, -0.0002502600000000, 0.0000026100000000 ] - [ -0.0028006600000000, 0.0002499500000000, -0.0028672600000000 ] - [ -0.0004012200000000, 0.0001031200000000, 0.0004955500000000 ] - [ -0.0023686600000000, -0.0009815200000000, 0.0050655600000000 ] - [ 0.0010646300000000, -0.0000042700000000, -0.0005800800000000 ] - [ -0.0042294500000000, 0.0101412900000000, 0.0030621400000000 ] - [ -0.0000346700000000, 0.0001324500000000, -0.0000366100000000 ] - [ -0.0022509400000000, -0.0083870900000000, 0.0038932700000000 ] - [ -0.0000695800000000, -0.0004770500000000, -0.0002901500000000 ]- atom: 1 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.1070340500000000, 0.0134706600000000, 0.0166527500000000 ] - [ 0.0000573700000000, 0.0000332900000000, 0.0001555500000000 ] - [ -0.0048969700000000, -0.0040940800000000, -0.0004744400000000 ] - [ 0.0000158800000000, -0.0000428300000000, 0.0001606000000000 ] - [ -0.0082282500000000, 0.0021620300000000, -0.0001264400000000 ] - [ -0.0000561400000000, -0.0000006600000000, 0.0001617700000000 ] - [ -0.0020285100000000, -0.0003301800000000, -0.0006656600000000 ] - [ -0.0001792800000000, -0.0000185100000000, -0.0000061400000000 ] - [ -0.0007504900000000, 0.0079089100000000, -0.0116942400000000 ] - [ 0.0000653900000000, 0.0000733800000000, 0.0000172500000000 ] - [ 0.0025579100000000, -0.0060324600000000, -0.0074268500000000 ] - [ 0.0001140700000000, -0.0000448700000000, 0.0000186100000000 ] - [ 0.0013848300000000, -0.0028638000000000, -0.0014310000000000 ] - [ 0.0002109600000000, -0.0002378300000000, -0.0002043500000000 ] - [ -0.0025345400000000, 0.0023809800000000, 0.0002677500000000 ] - [ 0.0000148800000000, -0.0000439300000000, 0.0000278600000000 ] - [ 0.0032793900000000, 0.0007828400000000, 0.0001260700000000 ] - [ 0.0000600000000000, 0.0000837500000000, 0.0001005500000000 ] - [ -0.0000263200000000, 0.0075777600000000, -0.0004764600000000 ] - [ -0.0000794600000000, 0.0000265400000000, 0.0001186900000000 ] - [ -0.0135569400000000, -0.0111066700000000, 0.0146034400000000 ] - [ 0.0000848600000000, 0.0002796100000000, -0.0002261200000000 ] - [ -0.0029567300000000, -0.0001595400000000, -0.0011334300000000 ] - [ -0.0003276000000000, -0.0001222300000000, -0.0002133200000000 ] - [ -0.0003069600000000, 0.0010531400000000, -0.0003781400000000 ] - [ -0.0001565200000000, 0.0001028700000000, 0.0000501200000000 ] - [ -0.0005712600000000, 0.0007124100000000, -0.0007160400000000 ] - [ 0.0000183600000000, 0.0001051600000000, 0.0002060000000000 ] - [ 0.0005916900000000, 0.0008319500000000, 0.0009791100000000 ] - [ 0.0001262600000000, 0.0000859100000000, -0.0003116300000000 ] - [ -0.0001388700000000, 0.0002642100000000, -0.0002467600000000 ] - [ 0.0004992600000000, 0.0004997400000000, -0.0001593000000000 ] - [ -0.0001630800000000, 0.0003481500000000, 0.0002006500000000 ] - [ -0.0006727000000000, 0.0005479500000000, -0.0006254500000000 ] - [ 0.0003163300000000, -0.0000683200000000, -0.0005153400000000 ] - [ 0.0004657900000000, 0.0001185200000000, -0.0000009800000000 ] - [ 0.0000972700000000, -0.0005474300000000, -0.0011283900000000 ] - [ -0.0007121900000000, 0.0004704900000000, 0.0005278800000000 ] - [ -0.0004505800000000, -0.0016788500000000, 0.0002301900000000 ] - [ -0.0000339100000000, -0.0005470100000000, 0.0004299200000000 ] - [ 0.0027779800000000, -0.0002742200000000, 0.0011147500000000 ] - [ 0.0003129700000000, -0.0000172400000000, -0.0002898400000000 ] - [ -0.0016527900000000, 0.0009989000000000, 0.0012536300000000 ] - [ -0.0003324800000000, -0.0001380500000000, -0.0005196400000000 ] - [ 0.0000562600000000, 0.0004190400000000, -0.0009145300000000 ] - [ -0.0006131800000000, -0.0005401500000000, 0.0004474900000000 ] - [ 0.0012082100000000, 0.0001315800000000, 0.0022564600000000 ] - [ 0.0018185200000000, 0.0000187700000000, 0.0005359000000000 ] - [ -0.0003025000000000, -0.0013002800000000, -0.0001242000000000 ] - [ -0.0001553200000000, -0.0000662800000000, 0.0001208700000000 ] - [ 0.0004603500000000, -0.0007732400000000, -0.0060905500000000 ] - [ 0.0000187500000000, -0.0000269600000000, 0.0002336200000000 ] - [ -0.0008279800000000, -0.0008644400000000, -0.0000618500000000 ] - [ 0.0000101400000000, -0.0001140100000000, 0.0001243900000000 ] - [ 0.0058119800000000, -0.0108070200000000, -0.0040956300000000 ] - [ 0.0000118300000000, -0.0000538100000000, 0.0000377600000000 ] - [ -0.0023507600000000, -0.0051562400000000, 0.0024304200000000 ] - [ -0.0000149900000000, 0.0000166900000000, -0.0000193800000000 ] - [ -0.0177778800000000, -0.0037472900000000, -0.0014224100000000 ] - [ -0.0000060000000000, -0.0000056400000000, 0.0000512000000000 ] - [ -0.0056440900000000, 0.0113167800000000, -0.0050188600000000 ] - [ 0.0000772800000000, 0.0000753000000000, 0.0000631400000000 ] - [ -0.0000696200000000, 0.0006534800000000, 0.0059429400000000 ] - [ 0.0001211800000000, -0.0002931500000000, 0.0001466600000000 ] - [ -0.0024128300000000, 0.0005253400000000, 0.0001057200000000 ] - [ 0.0000322300000000, 0.0001477000000000, 0.0000758900000000 ] - [ 0.0002079000000000, -0.0011773800000000, 0.0044774100000000 ] - [ -0.0001591400000000, 0.0001550100000000, 0.0001644800000000 ] - [ -0.0008350100000000, 0.0032801600000000, 0.0001754700000000 ] - [ -0.0000503700000000, 0.0001415100000000, -0.0001637100000000 ] - [ -0.0014299700000000, -0.0000603300000000, -0.0000235100000000 ] - [ -0.0000841400000000, -0.0000727900000000, -0.0000974100000000 ] - [ -0.0178792300000000, 0.0000178000000000, 0.0016993000000000 ] - [ -0.0003237400000000, 0.0000254000000000, -0.0002200400000000 ] - [ 0.0022750000000000, 0.0020545400000000, 0.0025569600000000 ] - [ 0.0001155900000000, 0.0001411200000000, -0.0003425400000000 ] - [ 0.0046692500000000, -0.0008539400000000, 0.0028339600000000 ] - [ 0.0001770800000000, -0.0001010300000000, -0.0003344600000000 ] - [ 0.0086271000000000, -0.0012003300000000, -0.0019626500000000 ] - [ 0.0001306500000000, -0.0000453100000000, -0.0000176900000000 ] - [ -0.0228857900000000, 0.0065187800000000, 0.0024561800000000 ] - [ -0.0001097200000000, -0.0000448800000000, -0.0000404300000000 ] - [ -0.0135252100000000, -0.0082305400000000, -0.0000331700000000 ] - [ -0.0000382600000000, 0.0000791600000000, -0.0000536400000000 ] - [ 0.0000347100000000, -0.0000284300000000, 0.0003615800000000 ] - [ 0.0007412300000000, 0.0000846200000000, 0.0000654400000000 ] - [ 0.0003311900000000, -0.0000913900000000, 0.0007836300000000 ] - [ 0.0007508400000000, -0.0010300300000000, -0.0005528500000000 ] - [ -0.0001355000000000, -0.0003391200000000, -0.0003010200000000 ] - [ -0.0021869600000000, -0.0014926900000000, 0.0025540200000000 ] - [ -0.0010799800000000, 0.0005826100000000, 0.0003510100000000 ] - [ -0.0000445700000000, -0.0001018800000000, -0.0000713200000000 ] - [ 0.0023098300000000, -0.0018605700000000, -0.0012707400000000 ] - [ 0.0001893900000000, -0.0001127500000000, 0.0003471200000000 ] - [ -0.0022509700000000, -0.0022969600000000, 0.0018849100000000 ] - [ -0.0001360400000000, 0.0000066100000000, -0.0001173400000000 ] - [ 0.0029049600000000, 0.0022983500000000, -0.0006797800000000 ] - [ 0.0000172700000000, 0.0000316300000000, 0.0000238900000000 ] - [ -0.0284104200000000, -0.0045704000000000, -0.0076048100000000 ] - [ -0.0000009900000000, 0.0000028200000000, -0.0000428100000000 ] - [ 0.0019400800000000, 0.0041351500000000, -0.0009828600000000 ] - [ -0.0000030500000000, 0.0000117600000000, 0.0000153900000000 ] - [ -0.0030585400000000, 0.0009582400000000, 0.0017099300000000 ] - [ -0.0003222100000000, 0.0001562100000000, -0.0004339300000000 ] - [ -0.0002945700000000, 0.0013013200000000, -0.0013643800000000 ] - [ -0.0000076300000000, 0.0001902800000000, -0.0001037700000000 ] - [ 0.0028013600000000, -0.0001443900000000, 0.0028038400000000 ] - [ 0.0003875000000000, 0.0000059300000000, -0.0005993500000000 ] - [ 0.0023943300000000, 0.0009620600000000, -0.0050621700000000 ] - [ -0.0010362800000000, 0.0000054500000000, 0.0005849500000000 ] - [ 0.0042123300000000, -0.0101716300000000, -0.0030577200000000 ] - [ 0.0000262200000000, -0.0001284000000000, 0.0000394200000000 ] - [ 0.0022397900000000, 0.0084273200000000, -0.0039202900000000 ] - [ 0.0000801700000000, 0.0004747000000000, 0.0003072800000000 ]- atom: 1 displacement: [ -0.0050000000006216, 0.0086602540374855, 0.0000000000000000 ] forces: - [ 0.0405872000000000, -0.1345783200000000, 0.0061346400000000 ] - [ 0.0000443000000000, -0.0000120900000000, 0.0001012400000000 ] - [ 0.0061234800000000, -0.0010342400000000, 0.0001602800000000 ] - [ 0.0000304300000000, -0.0000410100000000, 0.0000812600000000 ] - [ -0.0109949200000000, -0.0006621800000000, -0.0004807500000000 ] - [ -0.0000662700000000, -0.0000068400000000, 0.0001225700000000 ] - [ -0.0007590100000000, -0.0021621100000000, -0.0002018300000000 ] - [ -0.0001045600000000, -0.0000793500000000, -0.0000693000000000 ] - [ -0.0071859400000000, 0.0086942400000000, -0.0189109300000000 ] - [ 0.0000247000000000, 0.0000078100000000, -0.0000196000000000 ] - [ 0.0065589300000000, 0.0045047100000000, 0.0112824300000000 ] - [ 0.0000781100000000, -0.0000688000000000, -0.0000847300000000 ] - [ 0.0013503800000000, 0.0005199400000000, -0.0006323500000000 ] - [ 0.0001611200000000, -0.0000374700000000, -0.0001303400000000 ] - [ -0.0023175900000000, 0.0003410000000000, 0.0005458900000000 ] - [ -0.0000114900000000, -0.0001201500000000, 0.0000591300000000 ] - [ -0.0054105100000000, 0.0047016700000000, 0.0004474800000000 ] - [ 0.0000902700000000, 0.0000999100000000, 0.0000726800000000 ] - [ -0.0013519400000000, 0.0128853500000000, -0.0006301300000000 ] - [ -0.0001450000000000, 0.0001124900000000, 0.0001833600000000 ] - [ -0.0007030300000000, -0.0051890000000000, 0.0020956800000000 ] - [ 0.0000102000000000, 0.0000825000000000, -0.0001219300000000 ] - [ -0.0017327400000000, 0.0012656600000000, -0.0000365900000000 ] - [ -0.0001827700000000, -0.0000589200000000, -0.0001522500000000 ] - [ 0.0009997000000000, 0.0016292700000000, 0.0000031500000000 ] - [ 0.0000056800000000, 0.0002023600000000, 0.0000276600000000 ] - [ -0.0020446400000000, 0.0024728800000000, -0.0006610000000000 ] - [ -0.0001279700000000, 0.0001471200000000, 0.0001647900000000 ] - [ -0.0005029300000000, -0.0007853300000000, 0.0015007300000000 ] - [ 0.0000000300000000, 0.0000079100000000, -0.0004227200000000 ] - [ -0.0003404400000000, 0.0004257500000000, 0.0003975300000000 ] - [ -0.0002239400000000, 0.0006466900000000, -0.0005426200000000 ] - [ -0.0002743400000000, 0.0000973500000000, 0.0001819600000000 ] - [ -0.0006140800000000, 0.0000186000000000, -0.0005907500000000 ] - [ 0.0001553000000000, 0.0002340600000000, -0.0007856200000000 ] - [ -0.0000137200000000, 0.0007213200000000, 0.0003287100000000 ] - [ 0.0001612100000000, -0.0007422100000000, -0.0014811100000000 ] - [ -0.0006032900000000, 0.0002163700000000, 0.0004663000000000 ] - [ 0.0005240200000000, 0.0011480300000000, 0.0003140200000000 ] - [ 0.0001974600000000, 0.0000818000000000, -0.0003638800000000 ] - [ 0.0020209900000000, -0.0000798800000000, 0.0000020200000000 ] - [ 0.0005658600000000, 0.0001009400000000, 0.0006908100000000 ] - [ -0.0006796800000000, 0.0001955300000000, 0.0001213800000000 ] - [ -0.0001774000000000, -0.0000869500000000, -0.0001633500000000 ] - [ 0.0002465200000000, -0.0002119700000000, 0.0005918000000000 ] - [ 0.0002013100000000, 0.0000633300000000, -0.0002397400000000 ] - [ 0.0006624800000000, -0.0002974000000000, 0.0009913600000000 ] - [ 0.0007478700000000, -0.0007004800000000, 0.0001534200000000 ] - [ -0.0010218200000000, 0.0004645000000000, -0.0005203900000000 ] - [ -0.0001320600000000, 0.0001141700000000, 0.0000465200000000 ] - [ 0.0009178200000000, -0.0017501100000000, -0.0014527800000000 ] - [ -0.0000159400000000, -0.0001938100000000, 0.0000941600000000 ] - [ 0.0014386500000000, 0.0015332900000000, 0.0004747200000000 ] - [ 0.0001129300000000, 0.0000803200000000, 0.0000738300000000 ] - [ 0.0121586300000000, 0.0113996300000000, 0.0085647200000000 ] - [ 0.0000139200000000, -0.0000375200000000, -0.0000704600000000 ] - [ 0.0035520300000000, 0.0119499100000000, -0.0059935100000000 ] - [ 0.0000016800000000, 0.0000638000000000, -0.0000029200000000 ] - [ -0.0058101200000000, -0.0006831400000000, -0.0003437100000000 ] - [ 0.0000276200000000, -0.0000094700000000, -0.0000408900000000 ] - [ -0.0111733000000000, 0.0097480200000000, -0.0074293600000000 ] - [ 0.0000735600000000, -0.0000121700000000, 0.0000806300000000 ] - [ -0.0026649700000000, -0.0024367900000000, 0.0094926600000000 ] - [ 0.0000717900000000, -0.0002542500000000, 0.0000528300000000 ] - [ -0.0008443200000000, -0.0002322200000000, 0.0000997900000000 ] - [ 0.0000680900000000, 0.0000053400000000, 0.0000634200000000 ] - [ 0.0030654800000000, -0.0025395800000000, -0.0055769400000000 ] - [ -0.0001079200000000, 0.0000222800000000, 0.0001585500000000 ] - [ -0.0020528800000000, 0.0059202400000000, 0.0002728700000000 ] - [ -0.0000324000000000, 0.0002320500000000, -0.0002075900000000 ] - [ -0.0008186000000000, 0.0005176300000000, -0.0002625700000000 ] - [ -0.0001421600000000, -0.0000578000000000, -0.0001271300000000 ] - [ -0.0098130100000000, 0.0170301300000000, 0.0002086000000000 ] - [ -0.0002273700000000, 0.0001817500000000, -0.0000667700000000 ] - [ -0.0038790500000000, 0.0000566000000000, -0.0015251800000000 ] - [ 0.0000123200000000, 0.0000891500000000, 0.0000474400000000 ] - [ 0.0061576000000000, -0.0000732400000000, 0.0031506800000000 ] - [ 0.0001441900000000, -0.0000871900000000, -0.0002426800000000 ] - [ 0.0033566500000000, 0.0038979800000000, -0.0004474200000000 ] - [ 0.0000580100000000, -0.0000140500000000, -0.0000773300000000 ] - [ -0.0173219400000000, 0.0269664700000000, 0.0044652300000000 ] - [ -0.0000658700000000, -0.0000042400000000, -0.0000816500000000 ] - [ 0.0009786800000000, 0.0375398700000000, 0.0021461500000000 ] - [ -0.0000026600000000, 0.0000614200000000, -0.0001231600000000 ] - [ -0.0002511700000000, -0.0003171500000000, 0.0001474900000000 ] - [ 0.0003144000000000, -0.0005404800000000, 0.0002192000000000 ] - [ 0.0005350400000000, -0.0002912500000000, 0.0008114600000000 ] - [ 0.0014444900000000, -0.0013031100000000, -0.0006658100000000 ] - [ 0.0001375500000000, 0.0000683500000000, -0.0007451800000000 ] - [ -0.0005546800000000, 0.0006365700000000, 0.0031454100000000 ] - [ 0.0023578900000000, -0.0037081000000000, -0.0033394300000000 ] - [ 0.0000689800000000, -0.0001277200000000, 0.0002527500000000 ] - [ 0.0015481200000000, 0.0000898600000000, -0.0009153800000000 ] - [ 0.0001423900000000, -0.0000373800000000, 0.0002703800000000 ] - [ -0.0021190800000000, -0.0048764500000000, 0.0032263100000000 ] - [ -0.0000454000000000, -0.0000329700000000, -0.0003107400000000 ] - [ 0.0047715400000000, -0.0042326500000000, -0.0014000900000000 ] - [ -0.0000138300000000, 0.0000091500000000, 0.0000594900000000 ] - [ -0.0123303700000000, 0.0107765500000000, -0.0012926700000000 ] - [ 0.0000437200000000, 0.0000605800000000, 0.0000314300000000 ] - [ -0.0049962700000000, -0.0054147200000000, 0.0009348000000000 ] - [ -0.0000458600000000, -0.0000799100000000, 0.0000499300000000 ] - [ -0.0015925500000000, -0.0000517500000000, -0.0042695000000000 ] - [ -0.0002146800000000, 0.0002140500000000, 0.0001562500000000 ] - [ -0.0005675900000000, -0.0001867300000000, 0.0025197700000000 ] - [ -0.0001191700000000, -0.0001863900000000, -0.0004517400000000 ] - [ 0.0008032200000000, 0.0000142000000000, 0.0008322900000000 ] - [ 0.0001914600000000, 0.0001485000000000, -0.0001080800000000 ] - [ 0.0000743000000000, 0.0070250800000000, -0.0021236400000000 ] - [ -0.0006857500000000, 0.0011998300000000, 0.0001751200000000 ] - [ 0.0110047300000000, -0.0129781500000000, -0.0024081200000000 ] - [ 0.0000910000000000, -0.0001544900000000, 0.0000046900000000 ] - [ -0.0006948400000000, 0.0002076300000000, -0.0002800000000000 ] - [ -0.0003601600000000, -0.0000898000000000, 0.0000724800000000 ]- atom: 1 displacement: [ 0.0050000000006216, -0.0086602540374855, 0.0000000000000000 ] forces: - [ -0.0431716600000000, 0.1361250500000000, -0.0049419500000000 ] - [ -0.0000079700000000, 0.0000635300000000, 0.0000235800000000 ] - [ -0.0060803900000000, 0.0009475800000000, 0.0000029300000000 ] - [ -0.0000037200000000, -0.0000176400000000, 0.0000447900000000 ] - [ 0.0110431400000000, 0.0007084500000000, 0.0006593400000000 ] - [ -0.0000085500000000, 0.0000060200000000, 0.0000063200000000 ] - [ 0.0007252200000000, 0.0021101800000000, 0.0000963800000000 ] - [ 0.0000694700000000, 0.0000202300000000, -0.0000767900000000 ] - [ 0.0071985700000000, -0.0086564000000000, 0.0190410800000000 ] - [ -0.0000552200000000, 0.0000523400000000, -0.0001237700000000 ] - [ -0.0064463600000000, -0.0045993500000000, -0.0113765400000000 ] - [ 0.0000003700000000, 0.0000701700000000, -0.0000639200000000 ] - [ -0.0012153100000000, -0.0004865200000000, 0.0005086800000000 ] - [ -0.0000257000000000, 0.0000838200000000, -0.0000134000000000 ] - [ 0.0024178300000000, -0.0004840400000000, -0.0003759500000000 ] - [ 0.0001201900000000, -0.0000098900000000, 0.0000956300000000 ] - [ 0.0054649000000000, -0.0045257000000000, -0.0002733000000000 ] - [ -0.0000273100000000, 0.0000604400000000, 0.0000818600000000 ] - [ 0.0011880100000000, -0.0130586700000000, 0.0008322100000000 ] - [ -0.0000199600000000, -0.0001447200000000, -0.0000294400000000 ] - [ 0.0007433500000000, 0.0053848000000000, -0.0023254600000000 ] - [ -0.0001217100000000, 0.0000166200000000, -0.0000221900000000 ] - [ 0.0017015800000000, -0.0014063300000000, -0.0000868700000000 ] - [ 0.0001542400000000, -0.0000815200000000, 0.0000105000000000 ] - [ -0.0009777700000000, -0.0015789100000000, 0.0000631300000000 ] - [ 0.0000246200000000, -0.0001432500000000, 0.0000188900000000 ] - [ 0.0020902700000000, -0.0025379800000000, 0.0007262900000000 ] - [ 0.0001600100000000, -0.0002039800000000, -0.0001206600000000 ] - [ 0.0004545100000000, 0.0007380200000000, -0.0014455100000000 ] - [ -0.0000780000000000, -0.0000199900000000, 0.0004714400000000 ] - [ 0.0002949900000000, -0.0004795500000000, -0.0004915500000000 ] - [ 0.0001798600000000, -0.0006949200000000, 0.0004358700000000 ] - [ 0.0002599600000000, -0.0000332700000000, -0.0002788400000000 ] - [ 0.0006021600000000, 0.0000378100000000, 0.0004848800000000 ] - [ -0.0000871700000000, -0.0002416900000000, 0.0006945800000000 ] - [ 0.0000755600000000, -0.0007304600000000, -0.0004391600000000 ] - [ 0.0000114500000000, 0.0008156100000000, 0.0013954000000000 ] - [ 0.0008240100000000, -0.0001803000000000, -0.0006144400000000 ] - [ -0.0004205800000000, -0.0012798200000000, -0.0002720800000000 ] - [ -0.0000839600000000, -0.0001807300000000, 0.0003873600000000 ] - [ -0.0019732300000000, 0.0002485500000000, 0.0000358100000000 ] - [ -0.0005342600000000, 0.0000487600000000, -0.0006644700000000 ] - [ 0.0005239100000000, -0.0002247400000000, -0.0000768800000000 ] - [ 0.0000337500000000, 0.0000333700000000, 0.0001862900000000 ] - [ -0.0003955300000000, 0.0003276000000000, -0.0006865900000000 ] - [ -0.0003423900000000, 0.0001075300000000, 0.0000975800000000 ] - [ -0.0007432500000000, 0.0001088500000000, -0.0011768300000000 ] - [ -0.0008284900000000, 0.0004950300000000, -0.0002927800000000 ] - [ 0.0010890200000000, -0.0004094600000000, 0.0006115900000000 ] - [ 0.0001875900000000, -0.0000625000000000, 0.0000340900000000 ] - [ -0.0009014100000000, 0.0016839600000000, 0.0015824400000000 ] - [ 0.0000368600000000, 0.0001203600000000, -0.0000149900000000 ] - [ -0.0015144400000000, -0.0015120000000000, -0.0003763000000000 ] - [ -0.0001921900000000, -0.0000651100000000, 0.0000044800000000 ] - [ -0.0123322800000000, -0.0114424700000000, -0.0086647700000000 ] - [ -0.0000495100000000, -0.0000176200000000, -0.0000014300000000 ] - [ -0.0035742600000000, -0.0118221700000000, 0.0059153000000000 ] - [ -0.0000296700000000, -0.0000091800000000, -0.0000669600000000 ] - [ 0.0059994900000000, 0.0007288600000000, 0.0003036500000000 ] - [ 0.0000496900000000, 0.0000120100000000, -0.0000311300000000 ] - [ 0.0112560000000000, -0.0096902300000000, 0.0072842400000000 ] - [ 0.0000973200000000, 0.0000532000000000, -0.0001432600000000 ] - [ 0.0028035600000000, 0.0023191100000000, -0.0094273600000000 ] - [ 0.0000573800000000, 0.0001272800000000, 0.0000340700000000 ] - [ 0.0009193600000000, 0.0004284500000000, 0.0000357600000000 ] - [ -0.0000295400000000, 0.0001734500000000, 0.0000211700000000 ] - [ -0.0032915400000000, 0.0024786900000000, 0.0057571100000000 ] - [ -0.0000647200000000, -0.0000772700000000, -0.0000734400000000 ] - [ 0.0019886900000000, -0.0058626700000000, -0.0003365000000000 ] - [ -0.0000858400000000, -0.0001031900000000, 0.0001457600000000 ] - [ 0.0007522200000000, -0.0006727100000000, 0.0002246100000000 ] - [ 0.0000998400000000, -0.0001107200000000, 0.0000710400000000 ] - [ 0.0096991300000000, -0.0170350400000000, 0.0000310600000000 ] - [ 0.0000629500000000, -0.0001898200000000, 0.0001561700000000 ] - [ 0.0039748500000000, 0.0000752600000000, 0.0016911300000000 ] - [ 0.0000661500000000, 0.0000481300000000, 0.0000375300000000 ] - [ -0.0060937000000000, -0.0000554800000000, -0.0030132200000000 ] - [ -0.0000681300000000, -0.0000504300000000, 0.0003344700000000 ] - [ -0.0032049800000000, -0.0039182700000000, 0.0004015600000000 ] - [ 0.0000310800000000, -0.0000231000000000, -0.0001062700000000 ] - [ 0.0190552900000000, -0.0301051500000000, -0.0051402800000000 ] - [ -0.0000185300000000, -0.0000503400000000, -0.0001030100000000 ] - [ -0.0002341400000000, -0.0355639200000000, -0.0025292300000000 ] - [ 0.0000003300000000, 0.0000424900000000, -0.0000614300000000 ] - [ 0.0000659100000000, 0.0003044600000000, -0.0000838200000000 ] - [ -0.0004156100000000, 0.0005820500000000, -0.0000395000000000 ] - [ -0.0004516200000000, 0.0004574700000000, -0.0007536700000000 ] - [ -0.0013582700000000, 0.0013706100000000, 0.0008577900000000 ] - [ -0.0000472400000000, -0.0002234400000000, 0.0008209800000000 ] - [ 0.0005586800000000, -0.0007353900000000, -0.0029840100000000 ] - [ -0.0022119500000000, 0.0037447000000000, 0.0031969400000000 ] - [ 0.0000886400000000, 0.0001371100000000, -0.0003159800000000 ] - [ -0.0016411900000000, -0.0002207000000000, 0.0007805400000000 ] - [ -0.0002137000000000, -0.0000958800000000, -0.0003405200000000 ] - [ 0.0020489200000000, 0.0050174900000000, -0.0033878500000000 ] - [ -0.0000354100000000, 0.0001668600000000, 0.0002450800000000 ] - [ -0.0049359600000000, 0.0042148700000000, 0.0015847900000000 ] - [ -0.0000884100000000, 0.0000323900000000, 0.0000462600000000 ] - [ 0.0121258400000000, -0.0108729600000000, 0.0013489200000000 ] - [ 0.0000471500000000, 0.0000013700000000, 0.0000818600000000 ] - [ 0.0050616800000000, 0.0053055200000000, -0.0007562900000000 ] - [ 0.0000523200000000, -0.0000357500000000, 0.0000572800000000 ] - [ 0.0017148300000000, -0.0000049700000000, 0.0041262500000000 ] - [ 0.0003604500000000, -0.0002009200000000, -0.0003497700000000 ] - [ 0.0004729300000000, 0.0001310400000000, -0.0026427200000000 ] - [ 0.0000662400000000, 0.0000584000000000, 0.0002586100000000 ] - [ -0.0008276600000000, 0.0001007000000000, -0.0009732000000000 ] - [ -0.0002790800000000, -0.0000314200000000, -0.0000924500000000 ] - [ -0.0000537200000000, -0.0070805400000000, 0.0021410000000000 ] - [ 0.0007171100000000, -0.0012086700000000, -0.0002485600000000 ] - [ -0.0110088000000000, 0.0130702300000000, 0.0025165000000000 ] - [ -0.0000975300000000, 0.0001628900000000, -0.0000579500000000 ] - [ 0.0006654200000000, -0.0002794500000000, 0.0003176700000000 ] - [ 0.0003646900000000, 0.0000795300000000, -0.0000733000000000 ]- atom: 1 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ -0.0155044100000000, -0.0026516600000000, -0.1052976300000000 ] - [ -0.0000320300000000, 0.0000043700000000, 0.0016921900000000 ] - [ -0.0005975800000000, 0.0000345800000000, -0.0044969800000000 ] - [ 0.0000370600000000, 0.0000208100000000, 0.0016207100000000 ] - [ -0.0006912100000000, 0.0002967000000000, -0.0044984300000000 ] - [ 0.0000347600000000, -0.0000273400000000, 0.0016243900000000 ] - [ 0.0005446800000000, 0.0001784900000000, -0.0029478500000000 ] - [ -0.0000994900000000, -0.0000450500000000, 0.0014317100000000 ] - [ 0.0114258300000000, -0.0150470700000000, 0.0053904500000000 ] - [ 0.0000009500000000, 0.0001409600000000, 0.0014753900000000 ] - [ 0.0074127900000000, 0.0177368000000000, 0.0053956900000000 ] - [ 0.0000624000000000, -0.0001002500000000, 0.0014749300000000 ] - [ 0.0015518700000000, -0.0016218900000000, -0.0038540600000000 ] - [ -0.0002619300000000, 0.0004215400000000, 0.0013233300000000 ] - [ 0.0004867500000000, 0.0015446900000000, -0.0036497500000000 ] - [ -0.0002417100000000, -0.0007939300000000, 0.0016288900000000 ] - [ -0.0015200200000000, 0.0000432200000000, -0.0047151300000000 ] - [ 0.0008122900000000, 0.0002083800000000, 0.0016450800000000 ] - [ 0.0007477700000000, 0.0012278000000000, -0.0040835200000000 ] - [ -0.0005604100000000, 0.0005780100000000, 0.0016073100000000 ] - [ -0.0127502200000000, -0.0067133400000000, 0.0004746200000000 ] - [ -0.0002053800000000, -0.0004183200000000, 0.0013554600000000 ] - [ -0.0017404800000000, -0.0003973600000000, -0.0034581900000000 ] - [ 0.0004707200000000, 0.0000197100000000, 0.0013045700000000 ] - [ 0.0002207100000000, -0.0005352900000000, -0.0002113100000000 ] - [ -0.0000186600000000, -0.0000411900000000, 0.0012717000000000 ] - [ 0.0004150800000000, -0.0004340500000000, 0.0001188900000000 ] - [ -0.0000009100000000, 0.0000222800000000, 0.0013148400000000 ] - [ -0.0046551700000000, 0.0044695600000000, 0.0019963300000000 ] - [ 0.0001031200000000, -0.0000886400000000, 0.0015347600000000 ] - [ 0.0001466000000000, 0.0006221200000000, 0.0008586700000000 ] - [ 0.0000431900000000, -0.0005043300000000, 0.0011924600000000 ] - [ -0.0007297400000000, -0.0000589600000000, 0.0005179700000000 ] - [ 0.0004123200000000, -0.0001083400000000, 0.0011500400000000 ] - [ 0.0000604400000000, -0.0003147500000000, 0.0005152600000000 ] - [ 0.0000066300000000, 0.0005928200000000, 0.0011478000000000 ] - [ 0.0008538900000000, -0.0005467100000000, -0.0000755600000000 ] - [ -0.0008629200000000, 0.0008303800000000, 0.0017292800000000 ] - [ 0.0004751200000000, 0.0011931100000000, 0.0005859600000000 ] - [ -0.0001649900000000, -0.0007067000000000, 0.0012987000000000 ] - [ -0.0010696300000000, -0.0019996000000000, 0.0009659300000000 ] - [ 0.0007834100000000, 0.0003368700000000, 0.0015966100000000 ] - [ -0.0006593900000000, 0.0005007000000000, 0.0007335600000000 ] - [ -0.0004805600000000, 0.0005343000000000, 0.0013763200000000 ] - [ 0.0006649000000000, 0.0008349900000000, -0.0000873900000000 ] - [ -0.0009467200000000, -0.0009246300000000, 0.0017501500000000 ] - [ 0.0058201300000000, 0.0008537600000000, 0.0125376500000000 ] - [ 0.0009000400000000, 0.0000343800000000, 0.0019934600000000 ] - [ 0.0004713400000000, 0.0002053900000000, -0.0002007300000000 ] - [ 0.0000229800000000, -0.0000130400000000, 0.0013166800000000 ] - [ 0.0014377300000000, 0.0001862500000000, 0.0019970900000000 ] - [ -0.0004731000000000, -0.0001744300000000, 0.0015788900000000 ] - [ -0.0000961500000000, 0.0008778000000000, 0.0001331200000000 ] - [ 0.0000121200000000, -0.0001512400000000, 0.0013613400000000 ] - [ 0.0040166800000000, 0.0123026200000000, -0.0004953600000000 ] - [ -0.0001131000000000, -0.0001122300000000, 0.0014363000000000 ] - [ -0.0003042300000000, -0.0014182600000000, 0.0000837300000000 ] - [ -0.0000094000000000, 0.0001556700000000, 0.0013248600000000 ] - [ 0.0084277400000000, 0.0019757800000000, 0.0000545200000000 ] - [ 0.0000346100000000, -0.0000475500000000, 0.0013233200000000 ] - [ 0.0088855700000000, -0.0093795300000000, 0.0008208500000000 ] - [ -0.0003544800000000, 0.0004746400000000, 0.0015223800000000 ] - [ -0.0030776700000000, 0.0017888500000000, 0.0046281900000000 ] - [ -0.0002152400000000, -0.0014466700000000, 0.0019998300000000 ] - [ -0.0010873600000000, -0.0003542000000000, -0.0008986900000000 ] - [ 0.0011102500000000, 0.0002220800000000, 0.0016308000000000 ] - [ -0.0029870500000000, -0.0033395600000000, 0.0057796600000000 ] - [ -0.0006387000000000, 0.0012828400000000, 0.0019949300000000 ] - [ -0.0001154500000000, 0.0005332900000000, -0.0009360600000000 ] - [ -0.0001540600000000, -0.0003476500000000, 0.0011629500000000 ] - [ -0.0001446400000000, -0.0000289300000000, -0.0007290900000000 ] - [ 0.0003336700000000, 0.0000120500000000, 0.0010830900000000 ] - [ -0.0028187600000000, -0.0035918300000000, 0.0251648300000000 ] - [ 0.0000820300000000, -0.0001988300000000, -0.0027909500000000 ] - [ -0.0045335600000000, -0.0005658800000000, 0.0026484300000000 ] - [ -0.0001547100000000, 0.0000459100000000, -0.0025539100000000 ] - [ -0.0043782900000000, -0.0005672800000000, 0.0032174400000000 ] - [ 0.0001089900000000, 0.0001294700000000, -0.0025520000000000 ] - [ -0.0006393600000000, 0.0010361900000000, 0.0048902000000000 ] - [ 0.0002599200000000, -0.0001895800000000, -0.0026002100000000 ] - [ -0.0011088300000000, 0.0029813800000000, 0.0220333400000000 ] - [ -0.0003226500000000, -0.0001064500000000, -0.0027837800000000 ] - [ -0.0016613200000000, -0.0065853200000000, 0.0158340400000000 ] - [ 0.0000161600000000, 0.0002790900000000, -0.0027962500000000 ] - [ -0.0001872200000000, -0.0003112700000000, -0.0012887700000000 ] - [ 0.0005095800000000, 0.0002332800000000, -0.0006054300000000 ] - [ -0.0002348300000000, 0.0002900200000000, -0.0017011900000000 ] - [ 0.0005503600000000, -0.0011526400000000, -0.0009055700000000 ] - [ 0.0014595600000000, -0.0005225900000000, -0.0034785900000000 ] - [ -0.0013202600000000, 0.0012450600000000, -0.0032184500000000 ] - [ 0.0019150500000000, -0.0040978000000000, 0.0014442000000000 ] - [ 0.0003237200000000, -0.0000245100000000, -0.0024266200000000 ] - [ 0.0028271700000000, -0.0007485500000000, 0.0026145800000000 ] - [ -0.0003276900000000, -0.0001724800000000, -0.0024076000000000 ] - [ 0.0006671300000000, 0.0046030800000000, 0.0014632200000000 ] - [ -0.0000340800000000, 0.0002680500000000, -0.0023803900000000 ] - [ -0.0009261100000000, -0.0007600000000000, 0.0042324800000000 ] - [ 0.0001786600000000, -0.0001338100000000, -0.0022362100000000 ] - [ 0.0044697400000000, 0.0025493300000000, 0.0173608700000000 ] - [ -0.0001516300000000, -0.0000903700000000, -0.0024326700000000 ] - [ -0.0005906100000000, -0.0025359000000000, 0.0047514800000000 ] - [ 0.0000193900000000, 0.0002623300000000, -0.0022718500000000 ] - [ -0.0004985800000000, -0.0025043200000000, -0.0040284200000000 ] - [ 0.0007394500000000, 0.0009884100000000, -0.0025071100000000 ] - [ -0.0003002000000000, 0.0015845800000000, -0.0011300900000000 ] - [ -0.0003194900000000, -0.0007548400000000, -0.0018054100000000 ] - [ -0.0005435800000000, 0.0000126500000000, -0.0018184500000000 ] - [ -0.0001573900000000, 0.0004171100000000, -0.0017385700000000 ] - [ 0.0048545200000000, 0.0003678900000000, -0.0064100100000000 ] - [ -0.0043928900000000, -0.0006478200000000, -0.0041116600000000 ] - [ -0.0016257100000000, 0.0024151900000000, 0.0071131100000000 ] - [ 0.0001045500000000, -0.0001101700000000, -0.0029016200000000 ] - [ 0.0025567100000000, 0.0043519300000000, 0.0017614300000000 ] - [ -0.0000969200000000, -0.0000946100000000, -0.0028757100000000 ]- atom: 1 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0163215500000000, 0.0029401000000000, 0.1021660900000000 ] - [ 0.0000987200000000, 0.0000457400000000, -0.0015182300000000 ] - [ 0.0005439000000000, -0.0001132900000000, 0.0046441000000000 ] - [ -0.0000325500000000, -0.0000990000000000, -0.0014464600000000 ] - [ 0.0005916700000000, -0.0002644000000000, 0.0046431700000000 ] - [ -0.0001126900000000, 0.0000494700000000, -0.0014453300000000 ] - [ -0.0006164200000000, -0.0002157300000000, 0.0027577000000000 ] - [ 0.0000504300000000, 0.0000094000000000, -0.0015892800000000 ] - [ -0.0112907300000000, 0.0149584800000000, -0.0055644000000000 ] - [ -0.0000000700000000, -0.0000868700000000, -0.0016368500000000 ] - [ -0.0072443400000000, -0.0175606600000000, -0.0055596500000000 ] - [ -0.0000026800000000, 0.0000866000000000, -0.0016390800000000 ] - [ -0.0014072800000000, 0.0016246700000000, 0.0036720700000000 ] - [ 0.0004455100000000, -0.0004186400000000, -0.0014967000000000 ] - [ -0.0004342300000000, -0.0017440500000000, 0.0038368000000000 ] - [ 0.0002613300000000, 0.0004627600000000, -0.0013215400000000 ] - [ 0.0016950400000000, 0.0000921600000000, 0.0048974000000000 ] - [ -0.0005256900000000, -0.0000209900000000, -0.0013339900000000 ] - [ -0.0009501000000000, -0.0011443400000000, 0.0042594600000000 ] - [ 0.0002598500000000, -0.0004244100000000, -0.0012983800000000 ] - [ 0.0125824000000000, 0.0067766600000000, -0.0006788300000000 ] - [ 0.0001182900000000, 0.0005799000000000, -0.0015302300000000 ] - [ 0.0016751500000000, 0.0002688000000000, 0.0032758600000000 ] - [ -0.0005728200000000, -0.0001827700000000, -0.0014799100000000 ] - [ -0.0001719700000000, 0.0005733000000000, 0.0003004700000000 ] - [ 0.0000735900000000, 0.0000790700000000, -0.0011903900000000 ] - [ -0.0004122800000000, 0.0003718700000000, -0.0000290600000000 ] - [ 0.0000049900000000, -0.0000863900000000, -0.0012346100000000 ] - [ 0.0045292800000000, -0.0043653800000000, -0.0018841800000000 ] - [ -0.0001759100000000, 0.0001166500000000, -0.0014515500000000 ] - [ -0.0002156700000000, -0.0006332600000000, -0.0009758800000000 ] - [ -0.0001212800000000, 0.0004757300000000, -0.0013141500000000 ] - [ 0.0007349700000000, 0.0001373600000000, -0.0006356800000000 ] - [ -0.0004023000000000, 0.0001902100000000, -0.0012780100000000 ] - [ 0.0000075800000000, 0.0002687000000000, -0.0006382100000000 ] - [ 0.0000688300000000, -0.0006381400000000, -0.0012789500000000 ] - [ -0.0006698500000000, 0.0005680000000000, -0.0000460400000000 ] - [ 0.0011642400000000, -0.0009230000000000, -0.0019580000000000 ] - [ -0.0003816000000000, -0.0013066600000000, -0.0005388200000000 ] - [ 0.0002483600000000, 0.0005392400000000, -0.0012165000000000 ] - [ 0.0011054100000000, 0.0020962600000000, -0.0009212500000000 ] - [ -0.0006905600000000, -0.0001800700000000, -0.0015230200000000 ] - [ 0.0005194600000000, -0.0005231600000000, -0.0006955000000000 ] - [ 0.0002867500000000, -0.0005320900000000, -0.0012916900000000 ] - [ -0.0007736600000000, -0.0006774000000000, -0.0000392700000000 ] - [ 0.0008829500000000, 0.0012388200000000, -0.0019806500000000 ] - [ -0.0057863800000000, -0.0010093400000000, -0.0124553600000000 ] - [ -0.0011359500000000, -0.0002412000000000, -0.0022206400000000 ] - [ -0.0003898800000000, -0.0001740700000000, 0.0003273100000000 ] - [ 0.0000439500000000, 0.0000315000000000, -0.0011711500000000 ] - [ -0.0014644000000000, -0.0002779500000000, -0.0018664900000000 ] - [ 0.0004567900000000, 0.0000993700000000, -0.0014329600000000 ] - [ 0.0000131900000000, -0.0008317700000000, -0.0000022300000000 ] - [ -0.0000746300000000, 0.0001884100000000, -0.0012152100000000 ] - [ -0.0040899500000000, -0.0123576300000000, 0.0004822800000000 ] - [ 0.0000651400000000, 0.0000632000000000, -0.0015027300000000 ] - [ 0.0002704200000000, 0.0013897600000000, -0.0001363300000000 ] - [ -0.0000055000000000, -0.0000875800000000, -0.0013920900000000 ] - [ -0.0083362300000000, -0.0020080000000000, -0.0001662400000000 ] - [ 0.0000356700000000, 0.0000300400000000, -0.0013927200000000 ] - [ -0.0086892800000000, 0.0093652300000000, -0.0009114500000000 ] - [ 0.0006483300000000, -0.0006129700000000, -0.0016794700000000 ] - [ 0.0031708800000000, -0.0021201200000000, -0.0044277300000000 ] - [ 0.0003441200000000, 0.0012859200000000, -0.0018563200000000 ] - [ 0.0013238800000000, 0.0005623700000000, 0.0011220700000000 ] - [ -0.0010376800000000, -0.0000354800000000, -0.0014967300000000 ] - [ 0.0027127500000000, 0.0034824100000000, -0.0055848900000000 ] - [ 0.0004424100000000, -0.0013066800000000, -0.0018533700000000 ] - [ 0.0000453800000000, -0.0002927600000000, 0.0008371300000000 ] - [ 0.0001317100000000, 0.0006755700000000, -0.0013257600000000 ] - [ -0.0000145100000000, -0.0001309800000000, 0.0006259200000000 ] - [ -0.0006070400000000, -0.0001898700000000, -0.0012465400000000 ] - [ 0.0022246400000000, 0.0034907500000000, -0.0222081300000000 ] - [ -0.0002271100000000, 0.0002055500000000, 0.0028898400000000 ] - [ 0.0046083700000000, 0.0006503800000000, -0.0024910600000000 ] - [ 0.0002369600000000, 0.0000686300000000, 0.0026448700000000 ] - [ 0.0043861600000000, 0.0004352500000000, -0.0030475200000000 ] - [ -0.0000558600000000, -0.0002609900000000, 0.0026442900000000 ] - [ 0.0007861300000000, -0.0010353200000000, -0.0049681300000000 ] - [ -0.0001371900000000, 0.0001640700000000, 0.0024439200000000 ] - [ 0.0010806300000000, -0.0031196400000000, -0.0220405100000000 ] - [ 0.0002368100000000, 0.0000226200000000, 0.0026300000000000 ] - [ 0.0016304000000000, 0.0067083200000000, -0.0158246000000000 ] - [ -0.0000470300000000, -0.0001654100000000, 0.0026398000000000 ] - [ 0.0000648800000000, 0.0003253800000000, 0.0014033800000000 ] - [ -0.0006181500000000, -0.0002083800000000, 0.0007528600000000 ] - [ 0.0003181300000000, -0.0001903100000000, 0.0017986100000000 ] - [ -0.0004674900000000, 0.0012307900000000, 0.0010413500000000 ] - [ -0.0013965900000000, 0.0003895300000000, 0.0035480000000000 ] - [ 0.0013631000000000, -0.0013719600000000, 0.0033535400000000 ] - [ -0.0018112000000000, 0.0040355700000000, -0.0015250800000000 ] - [ -0.0001687200000000, 0.0000173100000000, 0.0023174000000000 ] - [ -0.0028711200000000, 0.0006706700000000, -0.0026990100000000 ] - [ 0.0002463900000000, 0.0000630300000000, 0.0022858000000000 ] - [ -0.0006944000000000, -0.0044705100000000, -0.0015482600000000 ] - [ -0.0000237900000000, -0.0001277700000000, 0.0022646800000000 ] - [ 0.0007846900000000, 0.0007878900000000, -0.0040943800000000 ] - [ -0.0002847200000000, 0.0001437600000000, 0.0023194000000000 ] - [ -0.0047833400000000, -0.0025367900000000, -0.0171802700000000 ] - [ 0.0002110800000000, 0.0001734300000000, 0.0025228200000000 ] - [ 0.0006484000000000, 0.0023882400000000, -0.0046153900000000 ] - [ 0.0000278700000000, -0.0003631800000000, 0.0023520700000000 ] - [ 0.0006158200000000, 0.0024991900000000, 0.0038858500000000 ] - [ -0.0006054100000000, -0.0010070100000000, 0.0023531600000000 ] - [ 0.0002256600000000, -0.0016551600000000, 0.0009683600000000 ] - [ 0.0002212800000000, 0.0006563600000000, 0.0016647500000000 ] - [ 0.0005117200000000, 0.0000984000000000, 0.0016848200000000 ] - [ 0.0001205200000000, -0.0002791900000000, 0.0015919700000000 ] - [ -0.0048812200000000, -0.0004187400000000, 0.0064188500000000 ] - [ 0.0043244900000000, 0.0006261000000000, 0.0040570700000000 ] - [ 0.0015957600000000, -0.0024216600000000, -0.0070986700000000 ] - [ -0.0001245700000000, 0.0000939300000000, 0.0028460000000000 ] - [ -0.0025359500000000, -0.0042976600000000, -0.0017171800000000 ] - [ 0.0001252200000000, 0.0000778900000000, 0.0028835800000000 ]- atom: 13 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0011864500000000, 0.0007501600000000, 0.0015376000000000 ] - [ 0.0000045400000000, 0.0000513500000000, -0.0002968300000000 ] - [ -0.0042510100000000, -0.0009773100000000, 0.0005815400000000 ] - [ -0.0000491400000000, 0.0000072200000000, -0.0002977600000000 ] - [ 0.0017546300000000, -0.0006216100000000, 0.0011997100000000 ] - [ 0.0000244300000000, -0.0000450400000000, -0.0002938500000000 ] - [ -0.0001600000000000, -0.0014827700000000, 0.0008014000000000 ] - [ -0.0000406000000000, -0.0000509800000000, -0.0004365300000000 ] - [ 0.0015819500000000, 0.0031231600000000, 0.0011381000000000 ] - [ 0.0000235000000000, 0.0000772600000000, -0.0004462100000000 ] - [ -0.0008785900000000, 0.0019608400000000, 0.0007748800000000 ] - [ 0.0000304500000000, -0.0000020800000000, -0.0004564700000000 ] - [ -0.0762035600000000, 0.0367505800000000, 0.0464347300000000 ] - [ 0.0001654100000000, -0.0001630800000000, -0.0005520700000000 ] - [ -0.0001302600000000, -0.0030905900000000, 0.0016312000000000 ] - [ 0.0000801100000000, -0.0000793600000000, -0.0002175200000000 ] - [ 0.0035191700000000, 0.0009833600000000, 0.0025029300000000 ] - [ 0.0000645200000000, 0.0000879200000000, -0.0002273900000000 ] - [ 0.0207099200000000, -0.0037423900000000, -0.0102033000000000 ] - [ -0.0000578100000000, -0.0000211200000000, -0.0002431800000000 ] - [ -0.0063025200000000, -0.0089328000000000, 0.0077798000000000 ] - [ 0.0000190700000000, 0.0002642500000000, -0.0005282900000000 ] - [ 0.0128476500000000, -0.0021139800000000, 0.0046826400000000 ] - [ -0.0002505200000000, -0.0001054900000000, -0.0005867800000000 ] - [ 0.0058069700000000, -0.0096920400000000, 0.0088192700000000 ] - [ 0.0000466700000000, -0.0000296000000000, -0.0005109700000000 ] - [ 0.0061000700000000, 0.0000651900000000, 0.0004004800000000 ] - [ 0.0000919700000000, -0.0000289500000000, -0.0003817400000000 ] - [ 0.0007655900000000, -0.0002522600000000, -0.0000111200000000 ] - [ -0.0000207000000000, 0.0000062000000000, -0.0003286300000000 ] - [ 0.0014455400000000, 0.0001940100000000, -0.0006241200000000 ] - [ 0.0001026200000000, 0.0000108000000000, -0.0004137000000000 ] - [ 0.0008649400000000, -0.0016710400000000, 0.0008361400000000 ] - [ 0.0001028800000000, -0.0003190700000000, -0.0004664300000000 ] - [ -0.0001267200000000, 0.0010039800000000, 0.0022962900000000 ] - [ 0.0003325300000000, 0.0000883600000000, -0.0006213800000000 ] - [ 0.0007204200000000, -0.0000462100000000, -0.0001867900000000 ] - [ 0.0003395600000000, -0.0001549800000000, -0.0004375700000000 ] - [ 0.0076069400000000, 0.0081947400000000, -0.0133412500000000 ] - [ -0.0000583500000000, -0.0000517000000000, -0.0001521500000000 ] - [ -0.0166737700000000, 0.0057824800000000, 0.0017557600000000 ] - [ -0.0002550600000000, 0.0001619800000000, -0.0006421100000000 ] - [ 0.0020313300000000, -0.0045961900000000, -0.0025685600000000 ] - [ -0.0000930400000000, -0.0000698000000000, -0.0000899400000000 ] - [ -0.0015370200000000, 0.0006542400000000, 0.0004122800000000 ] - [ -0.0001914300000000, 0.0000137000000000, -0.0004464500000000 ] - [ -0.0005681300000000, -0.0003945400000000, -0.0004090500000000 ] - [ -0.0002235100000000, -0.0000673700000000, -0.0004376800000000 ] - [ 0.0001463300000000, 0.0001105600000000, 0.0007972200000000 ] - [ 0.0008490900000000, -0.0003568700000000, -0.0009860700000000 ] - [ -0.0004384500000000, 0.0003625400000000, 0.0003281200000000 ] - [ -0.0001775700000000, -0.0002421200000000, -0.0004550600000000 ] - [ -0.0007458400000000, 0.0006835300000000, -0.0036465800000000 ] - [ -0.0011640600000000, 0.0005486400000000, -0.0005968800000000 ] - [ -0.0003585700000000, 0.0034696300000000, -0.0028578700000000 ] - [ -0.0000671900000000, -0.0000061800000000, -0.0005468700000000 ] - [ -0.0006579700000000, 0.0012301100000000, 0.0032447600000000 ] - [ -0.0001186600000000, -0.0000359200000000, -0.0010493400000000 ] - [ 0.0001419300000000, -0.0009292600000000, 0.0009869800000000 ] - [ -0.0000100600000000, -0.0000963200000000, -0.0006579000000000 ] - [ 0.0007020600000000, -0.0009973000000000, -0.0004934200000000 ] - [ 0.0003223700000000, -0.0002211000000000, -0.0004213400000000 ] - [ 0.0004292900000000, 0.0004544400000000, -0.0003252000000000 ] - [ 0.0000447600000000, 0.0001946100000000, -0.0001792400000000 ] - [ 0.0001320900000000, -0.0002774100000000, 0.0000741700000000 ] - [ 0.0000139500000000, -0.0001748400000000, -0.0001711300000000 ] - [ -0.0002270600000000, 0.0003450700000000, 0.0003370100000000 ] - [ -0.0001467900000000, 0.0005012300000000, -0.0002315400000000 ] - [ 0.0016491200000000, 0.0016579200000000, -0.0013593800000000 ] - [ 0.0002394900000000, 0.0003076000000000, -0.0002587500000000 ] - [ -0.0007791800000000, -0.0010765500000000, -0.0015356100000000 ] - [ -0.0000680600000000, -0.0000598100000000, 0.0002803500000000 ] - [ 0.0031498100000000, 0.0001240600000000, -0.0007642800000000 ] - [ -0.0001194500000000, 0.0000262800000000, 0.0006748300000000 ] - [ 0.0161268900000000, 0.0086865900000000, -0.0063074400000000 ] - [ 0.0001992100000000, 0.0000844700000000, 0.0007252000000000 ] - [ -0.0052857500000000, 0.0013352300000000, 0.0001576300000000 ] - [ -0.0000602600000000, -0.0001446600000000, 0.0006448600000000 ] - [ -0.0000914900000000, 0.0024642900000000, -0.0004086500000000 ] - [ 0.0000006100000000, 0.0001760200000000, 0.0005038500000000 ] - [ -0.0022494700000000, -0.0043444500000000, 0.0007935400000000 ] - [ 0.0000803200000000, -0.0000702000000000, 0.0005206800000000 ] - [ -0.0003674300000000, -0.0014305600000000, -0.0017853000000000 ] - [ -0.0001151800000000, -0.0001866700000000, 0.0006665900000000 ] - [ 0.0012390900000000, -0.0000087100000000, -0.0033833000000000 ] - [ -0.0003476400000000, 0.0007739000000000, 0.0015369200000000 ] - [ -0.0016463700000000, -0.0000302600000000, -0.0004922800000000 ] - [ -0.0004619000000000, -0.0001690600000000, 0.0008467700000000 ] - [ -0.0006228300000000, -0.0000833700000000, 0.0005341000000000 ] - [ -0.0001273900000000, -0.0000095700000000, 0.0006513800000000 ] - [ -0.0060921500000000, -0.0026046000000000, -0.0011417600000000 ] - [ -0.0000755100000000, 0.0000160700000000, 0.0005070800000000 ] - [ -0.0032133800000000, 0.0065700400000000, -0.0006086500000000 ] - [ 0.0000134100000000, 0.0001239700000000, 0.0005357200000000 ] - [ -0.0178021900000000, -0.0063672800000000, -0.0137080500000000 ] - [ -0.0000457800000000, -0.0000957700000000, 0.0007053200000000 ] - [ -0.0026801100000000, -0.0004224400000000, -0.0047752200000000 ] - [ -0.0003890000000000, 0.0001091300000000, 0.0009591900000000 ] - [ 0.0011612400000000, 0.0000657800000000, -0.0037753500000000 ] - [ 0.0001707600000000, 0.0002170000000000, 0.0007025000000000 ] - [ 0.0079868500000000, -0.0014727900000000, 0.0065552100000000 ] - [ 0.0003434200000000, -0.0002513100000000, 0.0006726100000000 ] - [ -0.0002352300000000, -0.0008631300000000, 0.0013649700000000 ] - [ 0.0010595900000000, -0.0004826200000000, 0.0016540400000000 ] - [ 0.0009792800000000, 0.0000005800000000, -0.0004811200000000 ] - [ 0.0001409400000000, -0.0013545000000000, 0.0045778600000000 ] - [ 0.0001059700000000, 0.0004326300000000, -0.0002683700000000 ] - [ -0.0002361100000000, 0.0013014100000000, 0.0016508000000000 ] - [ 0.0000016000000000, -0.0002348100000000, 0.0004594400000000 ] - [ 0.0003972200000000, -0.0000216800000000, 0.0002979400000000 ] - [ -0.0062952500000000, 0.0067964800000000, 0.0032609600000000 ] - [ -0.0003424500000000, 0.0000182000000000, 0.0004954700000000 ] - [ 0.0578132200000000, -0.0354562400000000, -0.0326290400000000 ] - [ 0.0002966800000000, -0.0000390700000000, 0.0008680000000000 ]- atom: 13 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0012423000000000, -0.0006942900000000, -0.0013845000000000 ] - [ 0.0000405400000000, 0.0000012100000000, 0.0004806900000000 ] - [ 0.0042728900000000, 0.0010032100000000, -0.0003652700000000 ] - [ 0.0000718000000000, -0.0000752800000000, 0.0004789500000000 ] - [ -0.0018293400000000, 0.0006480600000000, -0.0010465900000000 ] - [ -0.0001025400000000, 0.0000521300000000, 0.0004802200000000 ] - [ 0.0000737900000000, 0.0014882500000000, -0.0009623400000000 ] - [ -0.0000081900000000, 0.0000068000000000, 0.0002758800000000 ] - [ -0.0015834300000000, -0.0030337500000000, -0.0013135600000000 ] - [ -0.0000342000000000, -0.0000155400000000, 0.0002841800000000 ] - [ 0.0009936600000000, -0.0019681200000000, -0.0009445200000000 ] - [ 0.0000385700000000, -0.0000107700000000, 0.0002951500000000 ] - [ 0.0764869200000000, -0.0380720200000000, -0.0477768900000000 ] - [ 0.0000142200000000, 0.0001624900000000, 0.0003787600000000 ] - [ 0.0001516900000000, 0.0028167000000000, -0.0013760300000000 ] - [ -0.0000437200000000, -0.0002228800000000, 0.0004997100000000 ] - [ -0.0032843400000000, -0.0008240000000000, -0.0022471400000000 ] - [ 0.0001915000000000, 0.0000971100000000, 0.0005152600000000 ] - [ -0.0206693400000000, 0.0038050400000000, 0.0102918300000000 ] - [ -0.0002217600000000, 0.0001444500000000, 0.0005256700000000 ] - [ 0.0062928600000000, 0.0091807200000000, -0.0080461900000000 ] - [ -0.0001121900000000, -0.0001106600000000, 0.0003581100000000 ] - [ -0.0131278900000000, 0.0020252300000000, -0.0049176900000000 ] - [ 0.0001549700000000, -0.0000518500000000, 0.0004122400000000 ] - [ -0.0057692600000000, 0.0096495100000000, -0.0086762900000000 ] - [ 0.0000061500000000, 0.0000782500000000, 0.0005820000000000 ] - [ -0.0060159100000000, -0.0001312300000000, -0.0003199600000000 ] - [ -0.0000814300000000, -0.0000397400000000, 0.0004510200000000 ] - [ -0.0008376100000000, 0.0002650700000000, 0.0000918400000000 ] - [ -0.0000540700000000, 0.0000124300000000, 0.0003998600000000 ] - [ -0.0015146700000000, -0.0002325600000000, 0.0005226000000000 ] - [ -0.0001715600000000, -0.0000469900000000, 0.0002860600000000 ] - [ -0.0008620200000000, 0.0017518300000000, -0.0009380000000000 ] - [ -0.0001013300000000, 0.0004049400000000, 0.0003385600000000 ] - [ 0.0001959100000000, -0.0010462800000000, -0.0023712000000000 ] - [ -0.0002584100000000, -0.0001255600000000, 0.0004928000000000 ] - [ -0.0004785600000000, 0.0000115400000000, 0.0000151400000000 ] - [ -0.0000230700000000, 0.0000383200000000, 0.0001929700000000 ] - [ -0.0075894100000000, -0.0084885900000000, 0.0136174200000000 ] - [ 0.0001549700000000, -0.0000958900000000, 0.0002193800000000 ] - [ 0.0168572300000000, -0.0056754300000000, -0.0016665800000000 ] - [ 0.0003269700000000, -0.0000076500000000, 0.0007078500000000 ] - [ -0.0022030900000000, 0.0046335700000000, 0.0026559200000000 ] - [ -0.0000869100000000, 0.0000602200000000, 0.0001572200000000 ] - [ 0.0014592000000000, -0.0003997100000000, -0.0006303300000000 ] - [ 0.0001414500000000, 0.0003321200000000, 0.0001993200000000 ] - [ 0.0004094300000000, 0.0002066300000000, 0.0002322300000000 ] - [ -0.0000335500000000, -0.0001422400000000, 0.0001972300000000 ] - [ -0.0000709900000000, -0.0000766900000000, -0.0006877000000000 ] - [ -0.0007917400000000, 0.0003889900000000, 0.0011269400000000 ] - [ 0.0004442700000000, -0.0004481600000000, -0.0002196900000000 ] - [ 0.0001800300000000, 0.0001768200000000, 0.0005895800000000 ] - [ 0.0006774100000000, -0.0006588700000000, 0.0038043000000000 ] - [ 0.0011032700000000, -0.0005233500000000, 0.0007360900000000 ] - [ 0.0002961500000000, -0.0035456200000000, 0.0027682300000000 ] - [ 0.0000284300000000, -0.0000515900000000, 0.0004770300000000 ] - [ 0.0006759100000000, -0.0011735700000000, -0.0033296700000000 ] - [ 0.0000913800000000, 0.0001012600000000, 0.0009827300000000 ] - [ -0.0000744600000000, 0.0009245500000000, -0.0010854100000000 ] - [ 0.0000916100000000, 0.0000958400000000, 0.0005842900000000 ] - [ -0.0004306700000000, 0.0008892500000000, 0.0003341200000000 ] - [ -0.0000456200000000, 0.0001171200000000, 0.0002732500000000 ] - [ -0.0003795600000000, -0.0007754100000000, 0.0005520100000000 ] - [ 0.0000370500000000, -0.0004570400000000, 0.0003771400000000 ] - [ 0.0001216800000000, 0.0004944400000000, 0.0001606400000000 ] - [ 0.0001683400000000, 0.0003789100000000, 0.0003626300000000 ] - [ -0.0000848800000000, -0.0002172600000000, -0.0000937300000000 ] - [ -0.0001163100000000, -0.0004420400000000, 0.0004269500000000 ] - [ -0.0016849500000000, -0.0013708700000000, 0.0011936400000000 ] - [ -0.0002792200000000, -0.0000142300000000, 0.0001118100000000 ] - [ 0.0005120600000000, 0.0009074700000000, 0.0013727500000000 ] - [ -0.0001550500000000, -0.0001226100000000, -0.0004247100000000 ] - [ -0.0032348600000000, -0.0001028000000000, 0.0008451100000000 ] - [ 0.0000327900000000, 0.0000100200000000, -0.0005652000000000 ] - [ -0.0159188800000000, -0.0087145100000000, 0.0064267600000000 ] - [ -0.0001170500000000, -0.0000284800000000, -0.0006093400000000 ] - [ 0.0052744700000000, -0.0014676900000000, -0.0000751500000000 ] - [ 0.0000627900000000, 0.0000406300000000, -0.0005359800000000 ] - [ 0.0002051600000000, -0.0025309700000000, 0.0002753800000000 ] - [ 0.0001252200000000, -0.0002107300000000, -0.0005698800000000 ] - [ 0.0021716700000000, 0.0042780700000000, -0.0008904700000000 ] - [ -0.0001662400000000, -0.0000171400000000, -0.0005842900000000 ] - [ 0.0003222800000000, 0.0015253300000000, 0.0016602600000000 ] - [ 0.0000775000000000, 0.0003039500000000, -0.0007286900000000 ] - [ -0.0013103400000000, 0.0000620000000000, 0.0035280000000000 ] - [ 0.0002406300000000, -0.0007374800000000, -0.0014750900000000 ] - [ 0.0017246400000000, 0.0000684300000000, 0.0006229300000000 ] - [ 0.0005611800000000, 0.0002331500000000, -0.0007809300000000 ] - [ 0.0006217400000000, -0.0000074200000000, -0.0003902100000000 ] - [ 0.0001447800000000, -0.0001129700000000, -0.0005860700000000 ] - [ 0.0061651400000000, 0.0025879500000000, 0.0010878900000000 ] - [ 0.0001589400000000, -0.0000508400000000, -0.0006340600000000 ] - [ 0.0031407600000000, -0.0066060800000000, 0.0005504500000000 ] - [ -0.0000810300000000, -0.0001715700000000, -0.0006622100000000 ] - [ 0.0178951000000000, 0.0064894200000000, 0.0136689400000000 ] - [ 0.0000440600000000, 0.0001899900000000, -0.0008365800000000 ] - [ 0.0025741300000000, 0.0004718200000000, 0.0048578500000000 ] - [ 0.0002647900000000, -0.0000825600000000, -0.0008975000000000 ] - [ -0.0010835100000000, -0.0000076800000000, 0.0038401800000000 ] - [ -0.0000896500000000, -0.0001336900000000, -0.0006393700000000 ] - [ -0.0079717500000000, 0.0014040300000000, -0.0065371000000000 ] - [ -0.0003034400000000, 0.0001395000000000, -0.0006162000000000 ] - [ 0.0003491200000000, 0.0008323100000000, -0.0014517800000000 ] - [ -0.0009669300000000, 0.0004244900000000, -0.0017241100000000 ] - [ -0.0010836100000000, -0.0000714200000000, 0.0003804500000000 ] - [ -0.0002311900000000, 0.0013153000000000, -0.0046669100000000 ] - [ -0.0001213100000000, -0.0003120200000000, 0.0001821100000000 ] - [ 0.0002410100000000, -0.0012022800000000, -0.0017241900000000 ] - [ -0.0000112500000000, 0.0001900900000000, -0.0004710200000000 ] - [ -0.0003987600000000, -0.0000042000000000, -0.0002917500000000 ] - [ 0.0062880200000000, -0.0067456500000000, -0.0032660500000000 ] - [ 0.0003140500000000, -0.0000269500000000, -0.0005134900000000 ] - [ -0.0584258900000000, 0.0367773400000000, 0.0336119600000000 ] - [ -0.0002776200000000, 0.0000391600000000, -0.0008608100000000 ]- atom: 13 displacement: [ -0.0050000000006216, 0.0086602540374855, 0.0000000000000000 ] forces: - [ 0.0030328000000000, 0.0016238700000000, -0.0020374000000000 ] - [ 0.0001183400000000, 0.0000799200000000, 0.0006824200000000 ] - [ 0.0049953900000000, 0.0160780700000000, 0.0122298500000000 ] - [ 0.0000464000000000, -0.0001309600000000, 0.0006560900000000 ] - [ -0.0012113200000000, 0.0025548500000000, -0.0015988800000000 ] - [ -0.0000807700000000, 0.0001089000000000, 0.0006650000000000 ] - [ -0.0064653100000000, 0.0098437600000000, 0.0004491400000000 ] - [ -0.0000392500000000, 0.0000277300000000, 0.0004981000000000 ] - [ 0.0007184200000000, -0.0014678500000000, -0.0018074900000000 ] - [ -0.0000167900000000, 0.0000106900000000, 0.0005352600000000 ] - [ 0.0086724300000000, 0.0013919700000000, -0.0017718000000000 ] - [ 0.0000771700000000, 0.0000031100000000, 0.0005280500000000 ] - [ 0.0719281800000000, -0.1253528400000000, -0.0618391600000000 ] - [ -0.0000260200000000, 0.0001107200000000, 0.0006093300000000 ] - [ -0.0015966500000000, 0.0028966500000000, -0.0013797200000000 ] - [ -0.0000666800000000, -0.0001746200000000, 0.0006410800000000 ] - [ -0.0017075500000000, -0.0019293400000000, -0.0025203300000000 ] - [ 0.0001853900000000, 0.0000728400000000, 0.0006708900000000 ] - [ -0.0137468300000000, -0.0005875800000000, 0.0057596300000000 ] - [ -0.0001737200000000, 0.0000704800000000, 0.0006708000000000 ] - [ 0.0064298000000000, 0.0189586900000000, -0.0101940100000000 ] - [ -0.0001088600000000, -0.0001227800000000, 0.0006201200000000 ] - [ -0.0196161800000000, -0.0016121400000000, -0.0114542200000000 ] - [ 0.0001660300000000, -0.0000523800000000, 0.0006141600000000 ] - [ -0.0126478200000000, 0.0089685200000000, -0.0123537100000000 ] - [ -0.0000592000000000, 0.0000529900000000, 0.0008262500000000 ] - [ -0.0040057500000000, -0.0003770100000000, -0.0002172100000000 ] - [ -0.0000623700000000, -0.0000441900000000, 0.0006176800000000 ] - [ -0.0006453600000000, 0.0011563100000000, 0.0000396300000000 ] - [ -0.0000371100000000, 0.0000407000000000, 0.0005710000000000 ] - [ -0.0015572700000000, -0.0004433900000000, 0.0006367600000000 ] - [ 0.0001363600000000, -0.0000424500000000, 0.0005482800000000 ] - [ -0.0013783800000000, 0.0025657300000000, -0.0013959400000000 ] - [ -0.0002860200000000, 0.0005322000000000, 0.0005383600000000 ] - [ 0.0007325900000000, -0.0026179700000000, -0.0011928100000000 ] - [ -0.0003153200000000, -0.0003340500000000, 0.0006334600000000 ] - [ -0.0009697800000000, 0.0008924700000000, 0.0002084400000000 ] - [ -0.0001548200000000, 0.0003617600000000, 0.0005342700000000 ] - [ -0.0056656400000000, -0.0229391700000000, 0.0093447300000000 ] - [ 0.0000813900000000, -0.0004858700000000, 0.0008697400000000 ] - [ 0.0227252300000000, -0.0002107900000000, 0.0120991700000000 ] - [ 0.0003798400000000, -0.0000628900000000, 0.0006970800000000 ] - [ -0.0051704000000000, 0.0073210500000000, 0.0044926500000000 ] - [ -0.0002143700000000, 0.0001907800000000, 0.0003385700000000 ] - [ 0.0025575400000000, 0.0008807400000000, -0.0070055500000000 ] - [ -0.0000028000000000, 0.0001533500000000, 0.0006365900000000 ] - [ 0.0017082500000000, 0.0013375000000000, 0.0006967300000000 ] - [ 0.0003801400000000, -0.0000025100000000, 0.0005329000000000 ] - [ 0.0003620800000000, -0.0005127400000000, -0.0007637900000000 ] - [ -0.0007904100000000, 0.0002267300000000, 0.0013782400000000 ] - [ 0.0001742700000000, -0.0003649800000000, -0.0009114700000000 ] - [ -0.0000518300000000, 0.0009557300000000, 0.0015074900000000 ] - [ 0.0006007000000000, -0.0012764400000000, 0.0059354400000000 ] - [ 0.0009883700000000, -0.0015542500000000, 0.0011284700000000 ] - [ 0.0011548100000000, -0.0037898000000000, -0.0015798600000000 ] - [ -0.0000448800000000, -0.0000863700000000, 0.0013026000000000 ] - [ 0.0033981300000000, -0.0025911000000000, -0.0001818600000000 ] - [ 0.0000567100000000, -0.0000041200000000, 0.0012335900000000 ] - [ -0.0014839800000000, 0.0019604400000000, -0.0012965600000000 ] - [ -0.0000725100000000, 0.0001179600000000, 0.0009853300000000 ] - [ -0.0001762600000000, 0.0013709300000000, 0.0002910100000000 ] - [ -0.0001094300000000, 0.0003909900000000, 0.0005078700000000 ] - [ 0.0001686400000000, -0.0000046100000000, -0.0000941200000000 ] - [ 0.0005115100000000, 0.0000144700000000, 0.0004800100000000 ] - [ -0.0000880100000000, 0.0010105500000000, 0.0013484100000000 ] - [ -0.0002694500000000, 0.0006686400000000, 0.0001924600000000 ] - [ 0.0002025300000000, 0.0003770100000000, 0.0010545200000000 ] - [ 0.0002536700000000, -0.0005997200000000, 0.0002570400000000 ] - [ -0.0013869700000000, -0.0011926700000000, 0.0009028600000000 ] - [ -0.0003643900000000, -0.0002345400000000, 0.0004793400000000 ] - [ -0.0020544600000000, 0.0006857800000000, 0.0012296900000000 ] - [ -0.0001263100000000, -0.0002562300000000, -0.0004823500000000 ] - [ -0.0077820000000000, -0.0069208300000000, 0.0009246700000000 ] - [ -0.0000627500000000, -0.0001356700000000, -0.0009493100000000 ] - [ -0.0068709900000000, 0.0062275700000000, 0.0051434800000000 ] - [ -0.0001606000000000, 0.0000735000000000, -0.0010808200000000 ] - [ 0.0056306100000000, -0.0059553400000000, 0.0009824500000000 ] - [ 0.0001776100000000, 0.0000243700000000, -0.0009143200000000 ] - [ 0.0046942800000000, -0.0068768900000000, -0.0024682200000000 ] - [ 0.0002779800000000, -0.0003077200000000, -0.0008155300000000 ] - [ -0.0004680000000000, 0.0025201700000000, 0.0009164900000000 ] - [ -0.0003935300000000, -0.0001142600000000, -0.0010541100000000 ] - [ -0.0067425500000000, -0.0007873900000000, -0.0010166000000000 ] - [ 0.0000261100000000, 0.0004012600000000, -0.0009659000000000 ] - [ -0.0006392300000000, 0.0014120300000000, 0.0054212500000000 ] - [ 0.0008384200000000, -0.0008530300000000, -0.0019151900000000 ] - [ 0.0013881800000000, -0.0000686000000000, -0.0000728700000000 ] - [ 0.0003954500000000, 0.0001853300000000, -0.0006474100000000 ] - [ 0.0005715100000000, -0.0005960400000000, -0.0004978900000000 ] - [ -0.0001665000000000, -0.0003698900000000, -0.0005201300000000 ] - [ 0.0040974900000000, 0.0059748200000000, 0.0031914100000000 ] - [ 0.0002230700000000, 0.0000023500000000, -0.0010250400000000 ] - [ 0.0076379400000000, -0.0103978600000000, 0.0010499300000000 ] - [ -0.0000450300000000, -0.0003434100000000, -0.0009999400000000 ] - [ 0.0079660400000000, 0.0155540500000000, 0.0103365300000000 ] - [ -0.0000628700000000, 0.0003054800000000, -0.0011678900000000 ] - [ 0.0016866000000000, 0.0017446100000000, 0.0075220900000000 ] - [ 0.0003984500000000, -0.0000884500000000, -0.0012555600000000 ] - [ -0.0007965400000000, -0.0021270500000000, 0.0075877200000000 ] - [ -0.0001542600000000, -0.0003736100000000, -0.0012572800000000 ] - [ -0.0028338100000000, 0.0119742900000000, -0.0121346100000000 ] - [ -0.0002670300000000, 0.0004793400000000, -0.0010290700000000 ] - [ 0.0004571600000000, 0.0015190000000000, -0.0004303000000000 ] - [ -0.0018856600000000, 0.0003863400000000, -0.0059826700000000 ] - [ -0.0017110200000000, 0.0001385300000000, -0.0013125600000000 ] - [ -0.0004076600000000, 0.0020536300000000, -0.0054953700000000 ] - [ 0.0003877200000000, -0.0003775300000000, 0.0000364300000000 ] - [ 0.0010345400000000, -0.0018960700000000, -0.0030994200000000 ] - [ -0.0004623200000000, -0.0010644900000000, -0.0015646100000000 ] - [ -0.0019393200000000, -0.0031217000000000, 0.0009957600000000 ] - [ 0.0060953300000000, -0.0043945900000000, -0.0017341800000000 ] - [ 0.0004306500000000, 0.0000726700000000, -0.0009568700000000 ] - [ -0.0583097300000000, 0.0812333800000000, 0.0508321800000000 ] - [ -0.0001496400000000, 0.0002805300000000, -0.0014050600000000 ]- atom: 13 displacement: [ 0.0050000000006216, -0.0086602540374855, 0.0000000000000000 ] forces: - [ -0.0029876200000000, -0.0015882900000000, 0.0021673800000000 ] - [ -0.0000744500000000, -0.0000390300000000, -0.0005405300000000 ] - [ -0.0050684600000000, -0.0161738400000000, -0.0122072400000000 ] - [ -0.0000324200000000, 0.0000723200000000, -0.0005155300000000 ] - [ 0.0011343600000000, -0.0025519100000000, 0.0017327300000000 ] - [ 0.0000157700000000, -0.0000970300000000, -0.0005223400000000 ] - [ 0.0064372700000000, -0.0099169400000000, -0.0006038800000000 ] - [ 0.0000111200000000, -0.0000842500000000, -0.0006408200000000 ] - [ -0.0007638300000000, 0.0015065500000000, 0.0016497500000000 ] - [ -0.0000146900000000, 0.0000421500000000, -0.0006720400000000 ] - [ -0.0086357900000000, -0.0013672400000000, 0.0015899900000000 ] - [ -0.0000053400000000, 0.0000049900000000, -0.0006697600000000 ] - [ -0.0693735100000000, 0.1239435600000000, 0.0585654300000000 ] - [ 0.0001270600000000, -0.0000178700000000, -0.0007037500000000 ] - [ 0.0017105200000000, -0.0029814700000000, 0.0015053900000000 ] - [ 0.0001567300000000, -0.0000048500000000, -0.0004579400000000 ] - [ 0.0017387300000000, 0.0020747400000000, 0.0026478300000000 ] - [ -0.0000695200000000, 0.0000990300000000, -0.0004857700000000 ] - [ 0.0135417200000000, 0.0006307100000000, -0.0055941500000000 ] - [ -0.0000297900000000, -0.0000554500000000, -0.0004829600000000 ] - [ -0.0064588200000000, -0.0186541000000000, 0.0099524900000000 ] - [ -0.0000206000000000, 0.0001713900000000, -0.0007172100000000 ] - [ 0.0193915300000000, 0.0014336700000000, 0.0112003800000000 ] - [ -0.0001451800000000, -0.0000839300000000, -0.0007153700000000 ] - [ 0.0127676100000000, -0.0089425100000000, 0.0125306500000000 ] - [ 0.0000880800000000, 0.0000058300000000, -0.0007688400000000 ] - [ 0.0039996800000000, 0.0003249700000000, 0.0002809700000000 ] - [ 0.0000936500000000, -0.0000097300000000, -0.0005626600000000 ] - [ 0.0005818500000000, -0.0011568300000000, 0.0000293800000000 ] - [ -0.0000385700000000, -0.0000504400000000, -0.0005151500000000 ] - [ 0.0015047300000000, 0.0004073200000000, -0.0007344700000000 ] - [ -0.0001832300000000, 0.0000167500000000, -0.0006489300000000 ] - [ 0.0013694900000000, -0.0025012300000000, 0.0013040300000000 ] - [ 0.0002867700000000, -0.0004672900000000, -0.0006400200000000 ] - [ -0.0006605200000000, 0.0026052500000000, 0.0010838100000000 ] - [ 0.0003617400000000, 0.0003131800000000, -0.0007357500000000 ] - [ 0.0011225400000000, -0.0008178600000000, -0.0002781800000000 ] - [ 0.0004499000000000, -0.0004283500000000, -0.0007492900000000 ] - [ 0.0058260100000000, 0.0225983300000000, -0.0093547900000000 ] - [ 0.0000485200000000, 0.0004129000000000, -0.0008618400000000 ] - [ -0.0224545300000000, 0.0002440200000000, -0.0120582600000000 ] - [ -0.0003812800000000, 0.0002039300000000, -0.0006902900000000 ] - [ 0.0051120000000000, -0.0074832300000000, -0.0045255200000000 ] - [ 0.0000936200000000, -0.0002731900000000, -0.0003450700000000 ] - [ -0.0027062100000000, -0.0007919500000000, 0.0069850500000000 ] - [ -0.0000839000000000, 0.0001414700000000, -0.0008508200000000 ] - [ -0.0017183500000000, -0.0015152100000000, -0.0007630400000000 ] - [ -0.0005835600000000, -0.0002224000000000, -0.0007459200000000 ] - [ -0.0002844600000000, 0.0005369100000000, 0.0008489100000000 ] - [ 0.0008469000000000, -0.0001814000000000, -0.0012789400000000 ] - [ -0.0001709000000000, 0.0002723000000000, 0.0009979800000000 ] - [ 0.0000647200000000, -0.0010317600000000, -0.0014098900000000 ] - [ -0.0006603500000000, 0.0013002200000000, -0.0057830700000000 ] - [ -0.0010624800000000, 0.0015771400000000, -0.0010290000000000 ] - [ -0.0012360300000000, 0.0036604400000000, 0.0016135100000000 ] - [ -0.0000022700000000, 0.0000379800000000, -0.0013426500000000 ] - [ -0.0033348400000000, 0.0026724800000000, 0.0001982200000000 ] - [ -0.0000722700000000, 0.0000669400000000, -0.0012735000000000 ] - [ 0.0015600000000000, -0.0019730500000000, 0.0012381500000000 ] - [ 0.0001481200000000, -0.0001308900000000, -0.0010243500000000 ] - [ 0.0003510300000000, -0.0013539700000000, -0.0003285600000000 ] - [ 0.0002964100000000, -0.0003772200000000, -0.0005674000000000 ] - [ -0.0000946800000000, -0.0002809800000000, 0.0003110500000000 ] - [ -0.0003765900000000, -0.0001409900000000, -0.0003965100000000 ] - [ 0.0002833300000000, -0.0007948500000000, -0.0011395800000000 ] - [ 0.0003093100000000, -0.0004917700000000, -0.0001056400000000 ] - [ -0.0004911200000000, -0.0002934400000000, -0.0008291200000000 ] - [ -0.0004283300000000, 0.0005433100000000, -0.0001714500000000 ] - [ 0.0012804100000000, 0.0013235600000000, -0.0009339700000000 ] - [ 0.0002622800000000, 0.0003914200000000, -0.0005401500000000 ] - [ 0.0019373700000000, -0.0008070800000000, -0.0012590500000000 ] - [ 0.0000476900000000, 0.0000908700000000, 0.0004283200000000 ] - [ 0.0075745700000000, 0.0069175600000000, -0.0007917000000000 ] - [ -0.0001195100000000, 0.0000991600000000, 0.0010662100000000 ] - [ 0.0067651400000000, -0.0074521300000000, -0.0044366400000000 ] - [ 0.0002239500000000, 0.0000959600000000, 0.0011940700000000 ] - [ -0.0054974700000000, 0.0057996600000000, -0.0008587200000000 ] - [ -0.0000569200000000, -0.0001680000000000, 0.0010316200000000 ] - [ -0.0045119400000000, 0.0068953400000000, 0.0023819700000000 ] - [ -0.0001416400000000, 0.0002869900000000, 0.0006493800000000 ] - [ 0.0004646400000000, -0.0026440500000000, -0.0010178600000000 ] - [ 0.0003046200000000, 0.0000065300000000, 0.0008841400000000 ] - [ 0.0066051300000000, 0.0008761400000000, 0.0009204300000000 ] - [ -0.0000667300000000, -0.0002623600000000, 0.0007945600000000 ] - [ 0.0004682000000000, -0.0014297700000000, -0.0053398600000000 ] - [ -0.0009552900000000, 0.0008545000000000, 0.0020691900000000 ] - [ -0.0013095800000000, 0.0002145500000000, 0.0001777100000000 ] - [ -0.0003063800000000, -0.0000891100000000, 0.0008182000000000 ] - [ -0.0004830200000000, 0.0004558700000000, 0.0005929700000000 ] - [ 0.0002100600000000, 0.0002484000000000, 0.0006939300000000 ] - [ -0.0039289000000000, -0.0059545500000000, -0.0033099100000000 ] - [ -0.0000417100000000, 0.0000347200000000, 0.0008950400000000 ] - [ -0.0076961100000000, 0.0102432600000000, -0.0011828700000000 ] - [ -0.0000169700000000, 0.0001679600000000, 0.0008763100000000 ] - [ -0.0078233000000000, -0.0154461300000000, -0.0103170500000000 ] - [ -0.0000486100000000, -0.0001652700000000, 0.0010403000000000 ] - [ -0.0018900300000000, -0.0017409500000000, -0.0073051000000000 ] - [ -0.0005063700000000, 0.0000976300000000, 0.0013701600000000 ] - [ 0.0008354400000000, 0.0023304500000000, -0.0073711200000000 ] - [ 0.0002233900000000, 0.0004529400000000, 0.0013689500000000 ] - [ 0.0029889000000000, -0.0121912400000000, 0.0120185600000000 ] - [ 0.0002959300000000, -0.0005826700000000, 0.0011473500000000 ] - [ -0.0003246100000000, -0.0015280500000000, 0.0002468800000000 ] - [ 0.0020413800000000, -0.0003781200000000, 0.0057992600000000 ] - [ 0.0015996800000000, -0.0002367600000000, 0.0011366600000000 ] - [ 0.0003360700000000, -0.0021978600000000, 0.0053148500000000 ] - [ -0.0004261200000000, 0.0004940600000000, -0.0001833400000000 ] - [ -0.0011128600000000, 0.0020260100000000, 0.0029284100000000 ] - [ 0.0004709400000000, 0.0010416800000000, 0.0015549600000000 ] - [ 0.0019311200000000, 0.0031407800000000, -0.0010150600000000 ] - [ -0.0060367600000000, 0.0043756300000000, 0.0017603700000000 ] - [ -0.0004281200000000, -0.0000747400000000, 0.0009100400000000 ] - [ 0.0555823900000000, -0.0779225800000000, -0.0479619800000000 ] - [ 0.0001533200000000, -0.0002842200000000, 0.0013583500000000 ]- atom: 13 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0013165800000000, 0.0001599700000000, -0.0036495000000000 ] - [ 0.0000524100000000, 0.0000272800000000, 0.0015267000000000 ] - [ 0.0022480200000000, 0.0155259500000000, 0.0007176300000000 ] - [ 0.0000039600000000, -0.0000841400000000, 0.0015583300000000 ] - [ -0.0011063100000000, 0.0005503500000000, -0.0032535900000000 ] - [ -0.0000416800000000, 0.0000465800000000, 0.0015088800000000 ] - [ 0.0005808500000000, -0.0005272300000000, -0.0042740700000000 ] - [ -0.0000647400000000, 0.0000267400000000, 0.0013269500000000 ] - [ 0.0004228100000000, -0.0000594200000000, -0.0038506100000000 ] - [ -0.0000667100000000, 0.0000093500000000, 0.0013504300000000 ] - [ -0.0002838300000000, -0.0001873000000000, -0.0049151600000000 ] - [ 0.0001027100000000, 0.0000100700000000, 0.0013603100000000 ] - [ 0.0475167100000000, -0.0424344800000000, -0.1230218500000000 ] - [ -0.0003229100000000, 0.0005324300000000, 0.0015532200000000 ] - [ 0.0002498300000000, 0.0027549300000000, -0.0038647300000000 ] - [ -0.0002106800000000, -0.0006673400000000, 0.0015570200000000 ] - [ -0.0013798800000000, -0.0008081800000000, -0.0038707200000000 ] - [ 0.0006551500000000, 0.0001564900000000, 0.0015587400000000 ] - [ -0.0103608800000000, 0.0006589500000000, -0.0011848200000000 ] - [ -0.0004883900000000, 0.0005098800000000, 0.0016268400000000 ] - [ 0.0064532500000000, 0.0093756500000000, -0.0112385600000000 ] - [ -0.0002639300000000, -0.0005664200000000, 0.0014568700000000 ] - [ -0.0100894000000000, -0.0034482600000000, -0.0112392500000000 ] - [ 0.0006334200000000, -0.0000247600000000, 0.0014589700000000 ] - [ 0.0049572800000000, -0.0055719300000000, 0.0009391000000000 ] - [ -0.0000701500000000, 0.0001343700000000, 0.0016662000000000 ] - [ 0.0003505900000000, 0.0000410000000000, -0.0007999200000000 ] - [ -0.0001402400000000, -0.0001029000000000, 0.0013118600000000 ] - [ 0.0001983300000000, 0.0000902100000000, -0.0005903700000000 ] - [ -0.0000355600000000, 0.0000845200000000, 0.0012315300000000 ] - [ -0.0012059800000000, -0.0006203000000000, 0.0006370100000000 ] - [ 0.0005984200000000, 0.0000835700000000, 0.0012325500000000 ] - [ 0.0002553500000000, 0.0000619300000000, 0.0004789100000000 ] - [ -0.0004227200000000, 0.0006403900000000, 0.0011583100000000 ] - [ 0.0011148600000000, -0.0005814500000000, 0.0008577700000000 ] - [ -0.0009954900000000, -0.0001413300000000, 0.0014572400000000 ] - [ -0.0003080500000000, 0.0001365100000000, -0.0002428700000000 ] - [ -0.0002256200000000, 0.0003847900000000, 0.0011192200000000 ] - [ -0.0138078400000000, -0.0060701200000000, 0.0108308100000000 ] - [ 0.0000984400000000, -0.0008935000000000, 0.0022594000000000 ] - [ 0.0093930000000000, 0.0103719000000000, 0.0108251000000000 ] - [ 0.0008943000000000, -0.0001252700000000, 0.0022593500000000 ] - [ -0.0027203500000000, 0.0036558300000000, 0.0010857100000000 ] - [ -0.0002681600000000, 0.0002676200000000, 0.0010280000000000 ] - [ 0.0001450800000000, -0.0014709400000000, 0.0003584000000000 ] - [ 0.0000655400000000, 0.0005902900000000, 0.0012576400000000 ] - [ 0.0008828900000000, 0.0008404000000000, 0.0000706800000000 ] - [ 0.0004113200000000, -0.0001635400000000, 0.0011580400000000 ] - [ 0.0010092100000000, -0.0010237100000000, 0.0000656400000000 ] - [ -0.0005655500000000, 0.0003238600000000, 0.0019455100000000 ] - [ 0.0006795900000000, -0.0013116100000000, 0.0000565400000000 ] - [ -0.0001488000000000, 0.0006393800000000, 0.0019671300000000 ] - [ 0.0012716500000000, -0.0020263700000000, 0.0124818800000000 ] - [ 0.0003266700000000, -0.0004750900000000, 0.0022079700000000 ] - [ -0.0043877600000000, -0.0090590200000000, 0.0055698600000000 ] - [ -0.0000481400000000, 0.0000282400000000, 0.0018455300000000 ] - [ 0.0093780600000000, 0.0013533600000000, 0.0044278400000000 ] - [ -0.0000585800000000, 0.0000725600000000, 0.0018482900000000 ] - [ 0.0000601600000000, -0.0000387700000000, -0.0010855500000000 ] - [ 0.0000116300000000, 0.0000518900000000, 0.0014845100000000 ] - [ 0.0000404000000000, 0.0002663200000000, -0.0002256000000000 ] - [ -0.0002023100000000, 0.0004429800000000, 0.0011524500000000 ] - [ -0.0012035600000000, -0.0008891200000000, 0.0002479500000000 ] - [ 0.0002270900000000, -0.0003272200000000, 0.0013383400000000 ] - [ -0.0000683800000000, 0.0006916700000000, 0.0002499700000000 ] - [ 0.0004572400000000, 0.0002023600000000, 0.0013366500000000 ] - [ 0.0000976400000000, 0.0012941200000000, 0.0006054400000000 ] - [ -0.0004559600000000, 0.0000058800000000, 0.0013900800000000 ] - [ -0.0005172300000000, -0.0005017600000000, 0.0000860600000000 ] - [ -0.0002887600000000, -0.0003943500000000, 0.0011935800000000 ] - [ -0.0069768700000000, 0.0032688800000000, 0.0003920300000000 ] - [ 0.0005856000000000, -0.0000944100000000, 0.0012899800000000 ] - [ -0.0036829100000000, -0.0024631600000000, 0.0037755900000000 ] - [ 0.0001888400000000, -0.0000498200000000, -0.0022258600000000 ] - [ -0.0025366500000000, -0.0101305800000000, 0.0237825200000000 ] - [ -0.0002805300000000, -0.0002247800000000, -0.0024527100000000 ] - [ 0.0034194700000000, -0.0019166600000000, 0.0029004900000000 ] - [ 0.0000590200000000, 0.0002444700000000, -0.0021342800000000 ] - [ 0.0022128500000000, -0.0041204700000000, 0.0030862700000000 ] - [ 0.0003517500000000, -0.0002190100000000, -0.0023909800000000 ] - [ 0.0043267600000000, 0.0029690000000000, 0.0038980900000000 ] - [ -0.0004498600000000, -0.0002072700000000, -0.0024519000000000 ] - [ -0.0051297100000000, -0.0040690500000000, 0.0037658100000000 ] - [ 0.0000458200000000, 0.0004938900000000, -0.0024728100000000 ] - [ -0.0003518800000000, 0.0007865300000000, -0.0023532600000000 ] - [ 0.0019076600000000, -0.0023737800000000, -0.0030813500000000 ] - [ 0.0002689100000000, -0.0002511300000000, -0.0012995800000000 ] - [ 0.0001851100000000, 0.0000943200000000, -0.0010583200000000 ] - [ -0.0000182900000000, -0.0002613400000000, -0.0011255300000000 ] - [ -0.0000644100000000, 0.0001374300000000, -0.0009999100000000 ] - [ 0.0034538800000000, 0.0034530700000000, 0.0046734400000000 ] - [ 0.0001986400000000, -0.0002297400000000, -0.0023947600000000 ] - [ 0.0004334300000000, -0.0017107300000000, 0.0031938600000000 ] - [ -0.0002056500000000, -0.0003220900000000, -0.0023310800000000 ] - [ -0.0103618300000000, 0.0008110400000000, 0.0089790800000000 ] - [ 0.0002003000000000, 0.0004439300000000, -0.0027411500000000 ] - [ -0.0033083800000000, 0.0035093800000000, 0.0061241000000000 ] - [ 0.0003741300000000, -0.0002150900000000, -0.0025415300000000 ] - [ -0.0013569900000000, 0.0038139600000000, 0.0058830100000000 ] - [ -0.0002324100000000, -0.0002836800000000, -0.0025239700000000 ] - [ -0.0002175200000000, 0.0051750700000000, 0.0137096500000000 ] - [ -0.0000880300000000, 0.0004271400000000, -0.0027314400000000 ] - [ 0.0017745100000000, 0.0026245000000000, -0.0040741700000000 ] - [ -0.0009310800000000, -0.0004596600000000, -0.0054745300000000 ] - [ -0.0035859700000000, -0.0007840800000000, -0.0042975400000000 ] - [ 0.0002629400000000, 0.0010860200000000, -0.0055312000000000 ] - [ -0.0001956500000000, 0.0002683500000000, -0.0008812800000000 ] - [ 0.0005999600000000, -0.0004842600000000, -0.0027030100000000 ] - [ 0.0001693900000000, -0.0007508900000000, -0.0018321600000000 ] - [ -0.0002270600000000, 0.0005073400000000, -0.0016797000000000 ] - [ 0.0053913400000000, -0.0032623100000000, 0.0033092400000000 ] - [ -0.0000287600000000, 0.0000101100000000, -0.0028973000000000 ] - [ -0.0260939700000000, 0.0317347600000000, 0.0573636200000000 ] - [ -0.0004218100000000, 0.0005200400000000, -0.0034232600000000 ]- atom: 13 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ -0.0012969900000000, -0.0000950700000000, 0.0038523000000000 ] - [ -0.0000086700000000, 0.0000059900000000, -0.0014043600000000 ] - [ -0.0022298600000000, -0.0156919400000000, -0.0004495800000000 ] - [ 0.0000037100000000, 0.0000345700000000, -0.0014440700000000 ] - [ 0.0010474700000000, -0.0005679600000000, 0.0034564500000000 ] - [ -0.0000227500000000, -0.0000426500000000, -0.0013829300000000 ] - [ -0.0006023900000000, 0.0004983000000000, 0.0041968900000000 ] - [ 0.0000816700000000, -0.0000995900000000, -0.0014873400000000 ] - [ -0.0004829600000000, 0.0000950900000000, 0.0037685400000000 ] - [ 0.0000031300000000, 0.0000056500000000, -0.0015177100000000 ] - [ 0.0003852600000000, 0.0002414800000000, 0.0048270600000000 ] - [ -0.0000459000000000, 0.0000567200000000, -0.0015215400000000 ] - [ -0.0468328800000000, 0.0423479500000000, 0.1249131700000000 ] - [ 0.0003419000000000, -0.0001827500000000, -0.0015531200000000 ] - [ -0.0001115300000000, -0.0028615200000000, 0.0040572700000000 ] - [ 0.0002090400000000, 0.0003343000000000, -0.0012992300000000 ] - [ 0.0013798400000000, 0.0009854400000000, 0.0040500100000000 ] - [ -0.0003617800000000, 0.0000155000000000, -0.0012976300000000 ] - [ 0.0102088100000000, -0.0007256300000000, 0.0014321100000000 ] - [ 0.0001999900000000, -0.0003358300000000, -0.0013666300000000 ] - [ -0.0066634600000000, -0.0094275600000000, 0.0112697800000000 ] - [ -0.0000414300000000, 0.0004159500000000, -0.0014634000000000 ] - [ 0.0102614600000000, 0.0032312300000000, 0.0112638900000000 ] - [ -0.0003403300000000, -0.0001672000000000, -0.0014534300000000 ] - [ -0.0049360200000000, 0.0056314400000000, -0.0008877300000000 ] - [ 0.0000370300000000, -0.0000662800000000, -0.0016037700000000 ] - [ -0.0003160400000000, -0.0000982900000000, 0.0008880700000000 ] - [ 0.0002100500000000, 0.0000997700000000, -0.0012469600000000 ] - [ -0.0002891900000000, -0.0001274900000000, 0.0006766000000000 ] - [ -0.0000031000000000, -0.0001452600000000, -0.0011687500000000 ] - [ 0.0011803000000000, 0.0005702400000000, -0.0007757500000000 ] - [ -0.0006423200000000, -0.0001085500000000, -0.0013924700000000 ] - [ -0.0002977400000000, -0.0000107900000000, -0.0006352600000000 ] - [ 0.0004173800000000, -0.0005975100000000, -0.0013201000000000 ] - [ -0.0010437500000000, 0.0006028000000000, -0.0010122300000000 ] - [ 0.0010465300000000, 0.0001350500000000, -0.0016126500000000 ] - [ 0.0003624800000000, 0.0001923200000000, 0.0003231200000000 ] - [ 0.0004830200000000, -0.0004701200000000, -0.0013301400000000 ] - [ 0.0138470800000000, 0.0061355400000000, -0.0108394600000000 ] - [ 0.0001912400000000, 0.0010045800000000, -0.0024310400000000 ] - [ -0.0095420800000000, -0.0100168800000000, -0.0108348800000000 ] - [ -0.0011423800000000, 0.0003216500000000, -0.0024222200000000 ] - [ 0.0026761900000000, -0.0038988500000000, -0.0012076300000000 ] - [ 0.0002236400000000, -0.0006134300000000, -0.0012009200000000 ] - [ -0.0004711900000000, 0.0013518700000000, -0.0003225100000000 ] - [ -0.0001368500000000, -0.0003228900000000, -0.0014673100000000 ] - [ -0.0006132000000000, -0.0010471500000000, 0.0000106200000000 ] - [ -0.0006333600000000, -0.0000232100000000, -0.0013792100000000 ] - [ -0.0009545900000000, 0.0010714200000000, -0.0000073400000000 ] - [ 0.0006058400000000, -0.0002678800000000, -0.0019119900000000 ] - [ -0.0006759000000000, 0.0012465800000000, 0.0000007500000000 ] - [ 0.0001695200000000, -0.0007031900000000, -0.0019368400000000 ] - [ -0.0013664900000000, 0.0020933800000000, -0.0126303700000000 ] - [ -0.0004030900000000, 0.0004719700000000, -0.0021725800000000 ] - [ 0.0044321600000000, 0.0091325300000000, -0.0056375200000000 ] - [ -0.0000237100000000, -0.0000921400000000, -0.0018793000000000 ] - [ -0.0095428800000000, -0.0013381600000000, -0.0044707200000000 ] - [ 0.0000463000000000, 0.0000292100000000, -0.0018724200000000 ] - [ -0.0000150000000000, 0.0000638200000000, 0.0011040500000000 ] - [ 0.0000903100000000, -0.0000897900000000, -0.0015209000000000 ] - [ 0.0001431800000000, -0.0001983500000000, 0.0002655600000000 ] - [ 0.0004675700000000, -0.0006098800000000, -0.0013381600000000 ] - [ 0.0012614600000000, 0.0006326100000000, -0.0000493500000000 ] - [ 0.0000957000000000, 0.0004359400000000, -0.0014551300000000 ] - [ 0.0002667500000000, -0.0005156500000000, -0.0000466400000000 ] - [ -0.0007124200000000, 0.0000159300000000, -0.0014584400000000 ] - [ -0.0003390900000000, -0.0012299700000000, -0.0004107700000000 ] - [ 0.0004047700000000, -0.0003435100000000, -0.0015170500000000 ] - [ 0.0003945300000000, 0.0006384100000000, -0.0000517600000000 ] - [ 0.0003088600000000, 0.0007127300000000, -0.0013836900000000 ] - [ 0.0070448900000000, -0.0035091000000000, -0.0003662700000000 ] - [ -0.0008719000000000, -0.0000511900000000, -0.0014728000000000 ] - [ 0.0035649000000000, 0.0024356200000000, -0.0037828600000000 ] - [ -0.0002410900000000, 0.0000134500000000, 0.0025181200000000 ] - [ 0.0025307500000000, 0.0097944500000000, -0.0238097600000000 ] - [ 0.0002960800000000, 0.0002986500000000, 0.0027583500000000 ] - [ -0.0033554400000000, 0.0018359500000000, -0.0029112100000000 ] - [ -0.0000402000000000, -0.0003034700000000, 0.0024269900000000 ] - [ -0.0021020900000000, 0.0041292500000000, -0.0033647900000000 ] - [ -0.0001934300000000, 0.0001538800000000, 0.0024776200000000 ] - [ -0.0044316000000000, -0.0030805200000000, -0.0041957600000000 ] - [ 0.0003291300000000, 0.0001192500000000, 0.0025592000000000 ] - [ 0.0051058900000000, 0.0042150300000000, -0.0040604300000000 ] - [ -0.0000849600000000, -0.0003561000000000, 0.0025715600000000 ] - [ 0.0002737300000000, -0.0008371800000000, 0.0026493400000000 ] - [ -0.0020447200000000, 0.0024734900000000, 0.0031742900000000 ] - [ -0.0002438700000000, 0.0003369900000000, 0.0015676400000000 ] - [ -0.0000370400000000, -0.0000396000000000, 0.0011143600000000 ] - [ 0.0000843400000000, 0.0002085200000000, 0.0013850500000000 ] - [ 0.0000460400000000, -0.0002945000000000, 0.0010562300000000 ] - [ -0.0033741200000000, -0.0034256200000000, -0.0048116900000000 ] - [ -0.0001420000000000, 0.0002654200000000, 0.0022134200000000 ] - [ -0.0004364000000000, 0.0015952900000000, -0.0033456600000000 ] - [ 0.0002120200000000, 0.0002842700000000, 0.0021459000000000 ] - [ 0.0104689600000000, -0.0006942400000000, -0.0090419600000000 ] - [ -0.0002519500000000, -0.0003951800000000, 0.0025500000000000 ] - [ 0.0032355600000000, -0.0035456000000000, -0.0061573400000000 ] - [ -0.0005595600000000, 0.0002811000000000, 0.0025490300000000 ] - [ 0.0014182400000000, -0.0037833200000000, -0.0059159800000000 ] - [ 0.0003664400000000, 0.0003970500000000, 0.0025448600000000 ] - [ 0.0005672300000000, -0.0057371800000000, -0.0159316400000000 ] - [ 0.0001387300000000, -0.0005948200000000, 0.0027390900000000 ] - [ -0.0016747800000000, -0.0027310000000000, 0.0041194400000000 ] - [ 0.0010023500000000, 0.0005079300000000, 0.0053814200000000 ] - [ 0.0034848600000000, 0.0007207700000000, 0.0043388000000000 ] - [ -0.0002754200000000, -0.0011767500000000, 0.0054211200000000 ] - [ 0.0002171300000000, -0.0000973100000000, 0.0009040000000000 ] - [ -0.0006619500000000, 0.0005497700000000, 0.0025948600000000 ] - [ -0.0001735100000000, 0.0007398500000000, 0.0018766900000000 ] - [ 0.0002160900000000, -0.0005237200000000, 0.0017067000000000 ] - [ -0.0054462400000000, 0.0032445800000000, -0.0034079800000000 ] - [ 0.0000168300000000, -0.0000129400000000, 0.0028817100000000 ] - [ 0.0252288200000000, -0.0306028600000000, -0.0570097900000000 ] - [ 0.0004503200000000, -0.0005334100000000, 0.0034868100000000 ]- atom: 73 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0178444600000000, -0.0009448100000000, -0.0024327600000000 ] - [ 0.0003295300000000, 0.0000234400000000, 0.0002267500000000 ] - [ -0.0030461500000000, -0.0017874300000000, 0.0018251000000000 ] - [ -0.0000690500000000, -0.0001690100000000, 0.0002023200000000 ] - [ -0.0048858400000000, 0.0005426200000000, 0.0028904700000000 ] - [ -0.0001880100000000, 0.0001063500000000, 0.0001833100000000 ] - [ -0.0086531700000000, -0.0012200000000000, -0.0007854700000000 ] - [ -0.0000831100000000, -0.0000450600000000, 0.0001215100000000 ] - [ 0.0319683400000000, -0.0194077400000000, -0.0052067200000000 ] - [ 0.0000020400000000, 0.0000554500000000, 0.0001009100000000 ] - [ 0.0213962800000000, 0.0062518700000000, -0.0022677000000000 ] - [ 0.0000752300000000, -0.0000174800000000, 0.0001178700000000 ] - [ 0.0032450900000000, -0.0069229200000000, -0.0036516100000000 ] - [ -0.0000013900000000, 0.0000527800000000, 0.0002344200000000 ] - [ -0.0027341000000000, 0.0038899100000000, -0.0047598400000000 ] - [ -0.0001487700000000, -0.0002114000000000, 0.0004179400000000 ] - [ 0.0025850600000000, -0.0001305800000000, -0.0010131000000000 ] - [ 0.0002935800000000, 0.0000990800000000, 0.0004152300000000 ] - [ -0.0002232500000000, 0.0051539400000000, 0.0021636800000000 ] - [ -0.0001351700000000, 0.0001993900000000, 0.0003644000000000 ] - [ 0.0171842000000000, -0.0078307800000000, 0.0095326100000000 ] - [ -0.0000702200000000, -0.0000994400000000, 0.0003767900000000 ] - [ -0.0078224700000000, 0.0000107100000000, -0.0033352200000000 ] - [ 0.0000389100000000, -0.0000494700000000, 0.0002270200000000 ] - [ -0.0029027000000000, 0.0039185500000000, -0.0008183400000000 ] - [ -0.0000563800000000, 0.0000347100000000, 0.0002734400000000 ] - [ -0.0021217200000000, 0.0042649900000000, -0.0017819200000000 ] - [ 0.0000251600000000, 0.0000419000000000, 0.0003130200000000 ] - [ 0.0201906200000000, -0.0077099100000000, -0.0042931600000000 ] - [ 0.0000363500000000, -0.0000203600000000, 0.0002469500000000 ] - [ 0.0010513400000000, 0.0032485300000000, 0.0018112300000000 ] - [ 0.0000257500000000, 0.0000090400000000, 0.0001888500000000 ] - [ -0.0032411400000000, 0.0008976400000000, 0.0035204700000000 ] - [ -0.0000833600000000, 0.0001540700000000, 0.0001161500000000 ] - [ 0.0014039800000000, 0.0002705800000000, -0.0008642700000000 ] - [ 0.0001303800000000, 0.0000506200000000, 0.0001894200000000 ] - [ -0.0025408600000000, 0.0006133400000000, -0.0033014800000000 ] - [ -0.0002160800000000, 0.0003306900000000, 0.0003689700000000 ] - [ -0.0008685700000000, -0.0053212300000000, 0.0011826300000000 ] - [ 0.0000208700000000, -0.0002516200000000, 0.0002855700000000 ] - [ 0.0093731500000000, -0.0092429600000000, 0.0058074500000000 ] - [ 0.0001897100000000, 0.0001016600000000, 0.0001830700000000 ] - [ -0.0061802200000000, 0.0010165300000000, 0.0033628300000000 ] - [ -0.0001983700000000, 0.0000128800000000, 0.0000944300000000 ] - [ -0.0018419000000000, -0.0016598800000000, -0.0026059000000000 ] - [ -0.0002881100000000, -0.0002912300000000, 0.0003554500000000 ] - [ 0.0119323100000000, -0.0009472400000000, 0.0049929800000000 ] - [ 0.0005435600000000, -0.0000635100000000, 0.0004097900000000 ] - [ -0.0000097500000000, -0.0001877400000000, -0.0000827100000000 ] - [ -0.0007701100000000, -0.0000188300000000, 0.0006241600000000 ] - [ 0.0000779600000000, -0.0003381600000000, -0.0010652600000000 ] - [ 0.0008650800000000, -0.0006903600000000, 0.0018639800000000 ] - [ -0.0001897000000000, 0.0000164800000000, -0.0000275200000000 ] - [ 0.0000841800000000, -0.0005888300000000, 0.0008415900000000 ] - [ 0.0030813800000000, -0.0001477300000000, -0.0006002200000000 ] - [ 0.0003208500000000, -0.0001467100000000, 0.0006572100000000 ] - [ -0.0004591100000000, -0.0015241300000000, 0.0001792500000000 ] - [ -0.0000436700000000, -0.0001951100000000, 0.0003541400000000 ] - [ -0.0013959300000000, 0.0003691900000000, -0.0013125600000000 ] - [ -0.0003057800000000, 0.0000080400000000, 0.0007253400000000 ] - [ 0.0013462600000000, 0.0001849500000000, -0.0002677500000000 ] - [ -0.0002224500000000, 0.0008896900000000, 0.0019688800000000 ] - [ -0.0000568300000000, -0.0007813300000000, 0.0024839100000000 ] - [ 0.0007065300000000, 0.0015242800000000, -0.0010922600000000 ] - [ -0.0005348900000000, 0.0001255100000000, 0.0003335000000000 ] - [ -0.0022556000000000, 0.0000160200000000, -0.0007483500000000 ] - [ -0.0003929100000000, 0.0002718100000000, 0.0017737300000000 ] - [ 0.0009292500000000, -0.0017575400000000, -0.0009524700000000 ] - [ -0.0004499500000000, 0.0008587700000000, 0.0001682500000000 ] - [ -0.0001911100000000, 0.0004659500000000, -0.0001224500000000 ] - [ -0.0006830900000000, -0.0000241300000000, -0.0001272700000000 ] - [ -0.0001900200000000, -0.0001097600000000, 0.0002056000000000 ] - [ -0.1552388500000000, 0.0281829000000000, 0.0093356900000000 ] - [ -0.0001960700000000, -0.0000543100000000, -0.0004664200000000 ] - [ 0.0139446800000000, 0.0115120500000000, 0.0020919200000000 ] - [ 0.0000381800000000, 0.0001486100000000, -0.0004392400000000 ] - [ 0.0228317900000000, -0.0064242200000000, 0.0017216600000000 ] - [ 0.0001488000000000, -0.0000849200000000, -0.0004363000000000 ] - [ 0.0046924400000000, 0.0005628400000000, -0.0013099200000000 ] - [ 0.0005807100000000, -0.0000461300000000, -0.0000046100000000 ] - [ -0.0013613000000000, -0.0073074300000000, -0.0180486400000000 ] - [ -0.0003396000000000, -0.0003855400000000, 0.0002395800000000 ] - [ -0.0030052000000000, 0.0063309700000000, -0.0116631300000000 ] - [ -0.0003870600000000, 0.0003614300000000, 0.0000796500000000 ] - [ 0.0021144100000000, -0.0002040500000000, -0.0003208000000000 ] - [ 0.0001994600000000, 0.0001311600000000, -0.0001183700000000 ] - [ 0.0016199100000000, -0.0027900000000000, 0.0015313700000000 ] - [ 0.0002110400000000, -0.0002962600000000, -0.0003511200000000 ] - [ -0.0046023500000000, -0.0010418700000000, -0.0155060200000000 ] - [ -0.0005078700000000, -0.0001907900000000, 0.0000058200000000 ] - [ -0.0126395400000000, -0.0045645200000000, 0.0047498100000000 ] - [ 0.0000787800000000, 0.0000143600000000, -0.0005160000000000 ] - [ 0.0260607900000000, -0.0063325400000000, 0.0003445000000000 ] - [ 0.0000134600000000, -0.0001134600000000, -0.0004662500000000 ] - [ -0.0092049700000000, -0.0140193600000000, 0.0067296400000000 ] - [ -0.0000966800000000, 0.0000502100000000, -0.0004945400000000 ] - [ 0.0021105300000000, -0.0005696700000000, 0.0017264200000000 ] - [ 0.0002101700000000, -0.0000742700000000, -0.0005141600000000 ] - [ -0.0023926800000000, -0.0002241000000000, 0.0150344000000000 ] - [ -0.0003560800000000, 0.0000830300000000, -0.0011778300000000 ] - [ 0.0001204100000000, 0.0019115600000000, 0.0016944000000000 ] - [ 0.0001238300000000, 0.0002570100000000, -0.0005123000000000 ] - [ -0.0005573600000000, -0.0001139000000000, -0.0004128000000000 ] - [ -0.0036175100000000, -0.0012956100000000, -0.0033803500000000 ] - [ -0.0001144400000000, 0.0004184400000000, -0.0006387900000000 ] - [ -0.0010041800000000, 0.0017554000000000, -0.0013884600000000 ] - [ 0.0005640300000000, -0.0000249500000000, 0.0000662200000000 ] - [ 0.0032478500000000, 0.0006958200000000, -0.0034685800000000 ] - [ 0.0005877000000000, 0.0002864400000000, -0.0013646300000000 ] - [ 0.0056466900000000, 0.0015411300000000, 0.0122324400000000 ] - [ 0.0006884800000000, -0.0057993800000000, 0.0027805900000000 ] - [ 0.0003470500000000, -0.0007435600000000, -0.0008746300000000 ] - [ 0.0188757500000000, 0.0330874200000000, -0.0077434100000000 ] - [ 0.0000184100000000, 0.0001425700000000, -0.0005130800000000 ]- atom: 73 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0178072600000000, 0.0009534400000000, 0.0025910200000000 ] - [ -0.0002475700000000, 0.0000275200000000, -0.0000357200000000 ] - [ 0.0030582100000000, 0.0016582100000000, -0.0016970700000000 ] - [ 0.0000735200000000, 0.0000722100000000, -0.0000096700000000 ] - [ 0.0047967300000000, -0.0004583900000000, -0.0027405300000000 ] - [ 0.0000937800000000, -0.0000685200000000, 0.0000105200000000 ] - [ 0.0085217800000000, 0.0011673800000000, 0.0006056500000000 ] - [ 0.0000020100000000, 0.0000227100000000, -0.0002997800000000 ] - [ -0.0307018400000000, 0.0180009500000000, 0.0046384700000000 ] - [ 0.0000265600000000, 0.0000296800000000, -0.0002793900000000 ] - [ -0.0208568000000000, -0.0054391400000000, 0.0018951400000000 ] - [ -0.0000100400000000, -0.0000415400000000, -0.0002988200000000 ] - [ -0.0031006700000000, 0.0069932600000000, 0.0034855300000000 ] - [ 0.0001770900000000, -0.0000261800000000, -0.0004129300000000 ] - [ 0.0028383600000000, -0.0040715800000000, 0.0049766800000000 ] - [ 0.0002319300000000, 0.0000909600000000, -0.0002533700000000 ] - [ -0.0025413300000000, 0.0002840100000000, 0.0011779900000000 ] - [ -0.0002243500000000, 0.0000345600000000, -0.0002475200000000 ] - [ 0.0000646000000000, -0.0051823200000000, -0.0020016400000000 ] - [ -0.0000080600000000, -0.0002123100000000, -0.0002011800000000 ] - [ -0.0188543600000000, 0.0073059800000000, -0.0103864300000000 ] - [ -0.0000431400000000, 0.0002336300000000, -0.0005500600000000 ] - [ 0.0077872300000000, -0.0001529900000000, 0.0031724800000000 ] - [ -0.0001094500000000, -0.0001161500000000, -0.0004054900000000 ] - [ 0.0030142800000000, -0.0039055400000000, 0.0009345900000000 ] - [ 0.0001396700000000, -0.0000127400000000, -0.0001789900000000 ] - [ 0.0021044200000000, -0.0043419100000000, 0.0019054500000000 ] - [ -0.0000526800000000, -0.0001217900000000, -0.0002198400000000 ] - [ -0.0209882100000000, 0.0085700500000000, 0.0047884400000000 ] - [ -0.0001024800000000, 0.0000764500000000, -0.0001523400000000 ] - [ -0.0011870700000000, -0.0032783900000000, -0.0019023100000000 ] - [ -0.0001211400000000, -0.0000567000000000, -0.0003440000000000 ] - [ 0.0032860600000000, -0.0007787900000000, -0.0036429200000000 ] - [ 0.0000890600000000, -0.0000489500000000, -0.0002694500000000 ] - [ -0.0013087700000000, -0.0003673300000000, 0.0007695900000000 ] - [ -0.0000384700000000, -0.0001023200000000, -0.0003460700000000 ] - [ 0.0027494700000000, -0.0005952000000000, 0.0031272600000000 ] - [ 0.0004241000000000, -0.0003284800000000, -0.0005193800000000 ] - [ 0.0009914500000000, 0.0052231100000000, -0.0011034800000000 ] - [ 0.0000973800000000, 0.0001136800000000, -0.0002294500000000 ] - [ -0.0094408900000000, 0.0094078600000000, -0.0057734100000000 ] - [ -0.0001324700000000, 0.0000718300000000, -0.0001268400000000 ] - [ 0.0060572900000000, -0.0010426000000000, -0.0033287900000000 ] - [ 0.0000127100000000, -0.0000404700000000, -0.0000299700000000 ] - [ 0.0017308600000000, 0.0018267400000000, 0.0024522400000000 ] - [ 0.0001875400000000, 0.0004698500000000, -0.0005027200000000 ] - [ -0.0120293200000000, 0.0007497800000000, -0.0049590800000000 ] - [ -0.0006451700000000, -0.0001168700000000, -0.0005582000000000 ] - [ 0.0000981400000000, 0.0002348900000000, 0.0001832500000000 ] - [ 0.0008509900000000, 0.0000304000000000, -0.0004343400000000 ] - [ -0.0000858600000000, 0.0002403600000000, 0.0011672600000000 ] - [ -0.0009138700000000, 0.0006168700000000, -0.0016746200000000 ] - [ 0.0001018200000000, 0.0000303100000000, 0.0001251300000000 ] - [ -0.0001392400000000, 0.0006434700000000, -0.0006454200000000 ] - [ -0.0031562200000000, 0.0001145600000000, 0.0004527400000000 ] - [ -0.0003958200000000, 0.0000926500000000, -0.0007155900000000 ] - [ 0.0004798000000000, 0.0016070300000000, -0.0003323400000000 ] - [ 0.0000364600000000, 0.0002896500000000, -0.0004140900000000 ] - [ 0.0014432100000000, -0.0004046400000000, 0.0011675900000000 ] - [ 0.0004011200000000, -0.0000435300000000, -0.0007900000000000 ] - [ -0.0011788500000000, -0.0001440500000000, 0.0001642000000000 ] - [ 0.0003770200000000, -0.0008754000000000, -0.0020086600000000 ] - [ 0.0001684600000000, 0.0005992400000000, -0.0023641100000000 ] - [ -0.0005558800000000, -0.0017141400000000, 0.0012887600000000 ] - [ 0.0006471700000000, 0.0000578000000000, -0.0002031500000000 ] - [ 0.0023388400000000, 0.0001944200000000, 0.0009259100000000 ] - [ 0.0001839200000000, -0.0002675000000000, -0.0016635600000000 ] - [ -0.0011527900000000, 0.0017329000000000, 0.0011459600000000 ] - [ 0.0003327800000000, -0.0007140700000000, -0.0002662800000000 ] - [ 0.0000994600000000, -0.0003411100000000, 0.0000904100000000 ] - [ 0.0006258500000000, -0.0001579700000000, 0.0000328500000000 ] - [ 0.0001316600000000, -0.0000328900000000, -0.0002390000000000 ] - [ 0.1562527900000000, -0.0273652200000000, -0.0085562100000000 ] - [ 0.0001059300000000, 0.0000967200000000, 0.0005862600000000 ] - [ -0.0138932400000000, -0.0113420000000000, -0.0020123700000000 ] - [ 0.0000463200000000, -0.0001009500000000, 0.0005541300000000 ] - [ -0.0227301200000000, 0.0061953700000000, -0.0016249900000000 ] - [ -0.0001452200000000, -0.0000109500000000, 0.0005524200000000 ] - [ -0.0045997400000000, -0.0005747200000000, 0.0011610500000000 ] - [ -0.0004542300000000, 0.0000479100000000, -0.0001055600000000 ] - [ 0.0012117900000000, 0.0072443300000000, 0.0179026900000000 ] - [ 0.0002710300000000, 0.0002810900000000, -0.0003634300000000 ] - [ 0.0029097800000000, -0.0062893300000000, 0.0116373600000000 ] - [ 0.0003367600000000, -0.0002441500000000, -0.0002003400000000 ] - [ -0.0022121600000000, 0.0002403700000000, 0.0004379500000000 ] - [ -0.0003303400000000, -0.0001285200000000, 0.0002479800000000 ] - [ -0.0015526800000000, 0.0028461700000000, -0.0014190000000000 ] - [ -0.0001450600000000, 0.0004049000000000, 0.0004854300000000 ] - [ 0.0046916800000000, 0.0009388700000000, 0.0156604100000000 ] - [ 0.0005707400000000, 0.0000711300000000, 0.0001269900000000 ] - [ 0.0128141000000000, 0.0044599100000000, -0.0048972000000000 ] - [ 0.0000048900000000, -0.0000569100000000, 0.0004263000000000 ] - [ -0.0264002500000000, 0.0064151200000000, -0.0003736000000000 ] - [ -0.0000947500000000, 0.0000674700000000, 0.0003737200000000 ] - [ 0.0091853300000000, 0.0141407000000000, -0.0068419200000000 ] - [ 0.0000948000000000, 0.0000402900000000, 0.0004072400000000 ] - [ -0.0022377800000000, 0.0005818800000000, -0.0016532900000000 ] - [ -0.0003324400000000, 0.0000703900000000, 0.0005807700000000 ] - [ 0.0025618900000000, 0.0003223900000000, -0.0150519900000000 ] - [ 0.0004184800000000, 0.0000169700000000, 0.0012433300000000 ] - [ -0.0000878500000000, -0.0020391700000000, -0.0016129600000000 ] - [ -0.0000700100000000, -0.0003657300000000, 0.0005802000000000 ] - [ 0.0006984900000000, 0.0001209100000000, 0.0003360900000000 ] - [ 0.0037618200000000, 0.0012877600000000, 0.0032619700000000 ] - [ 0.0000441400000000, -0.0005345100000000, 0.0005612000000000 ] - [ 0.0009056000000000, -0.0018460900000000, 0.0012823000000000 ] - [ -0.0006292100000000, 0.0001455600000000, -0.0001519900000000 ] - [ -0.0032769900000000, -0.0005722000000000, 0.0033899000000000 ] - [ -0.0005933800000000, -0.0003143400000000, 0.0013420400000000 ] - [ -0.0057932800000000, -0.0015598900000000, -0.0121564500000000 ] - [ -0.0006775600000000, 0.0058573700000000, -0.0028813200000000 ] - [ -0.0003694700000000, 0.0007473400000000, 0.0008907900000000 ] - [ -0.0190179400000000, -0.0334215400000000, 0.0078282900000000 ] - [ 0.0000146200000000, -0.0001405500000000, 0.0005286700000000 ]- atom: 73 displacement: [ -0.0050000000006216, 0.0086602540374855, 0.0000000000000000 ] forces: - [ -0.0088717100000000, 0.0175138500000000, -0.0017220700000000 ] - [ -0.0001082000000000, 0.0002106700000000, -0.0001949900000000 ] - [ -0.0030339500000000, -0.0001512400000000, 0.0027075400000000 ] - [ -0.0000381600000000, -0.0000718000000000, -0.0001532600000000 ] - [ 0.0060864900000000, 0.0010020300000000, -0.0044687200000000 ] - [ 0.0000632400000000, -0.0000095800000000, -0.0001387600000000 ] - [ 0.0052780400000000, 0.0050521700000000, 0.0012038300000000 ] - [ 0.0000303600000000, 0.0000090400000000, -0.0003191200000000 ] - [ -0.0306073900000000, 0.0333140600000000, 0.0061923500000000 ] - [ -0.0000143900000000, 0.0000327200000000, -0.0002757200000000 ] - [ -0.0046066500000000, 0.0241875100000000, -0.0012019500000000 ] - [ -0.0000023500000000, 0.0000405400000000, -0.0003452000000000 ] - [ -0.0014122500000000, -0.0032967100000000, -0.0003866700000000 ] - [ 0.0000971000000000, -0.0000496100000000, -0.0002176800000000 ] - [ 0.0027563900000000, -0.0010311800000000, 0.0044643300000000 ] - [ 0.0002622200000000, 0.0001394300000000, -0.0002885400000000 ] - [ 0.0040431000000000, -0.0039654100000000, 0.0062366700000000 ] - [ -0.0002161000000000, -0.0000220600000000, -0.0002872000000000 ] - [ 0.0021705600000000, -0.0082851100000000, -0.0045523100000000 ] - [ 0.0000707600000000, -0.0002734200000000, -0.0002067600000000 ] - [ -0.0093494400000000, 0.0131105200000000, -0.0025970500000000 ] - [ -0.0000430500000000, 0.0002194200000000, -0.0003641700000000 ] - [ 0.0022878100000000, -0.0030682600000000, -0.0001469600000000 ] - [ -0.0001129500000000, -0.0001210600000000, -0.0003230500000000 ] - [ -0.0004227400000000, -0.0072562300000000, -0.0002303700000000 ] - [ 0.0000522600000000, -0.0000077900000000, -0.0001991700000000 ] - [ 0.0071462800000000, -0.0094679000000000, 0.0024523800000000 ] - [ 0.0000419600000000, -0.0001104300000000, -0.0002295800000000 ] - [ -0.0159506600000000, 0.0237954700000000, 0.0051590500000000 ] - [ -0.0000690200000000, 0.0000375000000000, -0.0001438800000000 ] - [ -0.0011003100000000, -0.0056784700000000, -0.0045410000000000 ] - [ -0.0000136100000000, -0.0001291200000000, -0.0001793900000000 ] - [ 0.0053338500000000, 0.0005853300000000, -0.0043505100000000 ] - [ 0.0000940800000000, 0.0001131500000000, -0.0002033100000000 ] - [ 0.0007959000000000, -0.0022918100000000, 0.0027638900000000 ] - [ 0.0000865800000000, -0.0002509900000000, -0.0003219600000000 ] - [ 0.0010370600000000, 0.0012699400000000, 0.0045908700000000 ] - [ 0.0003818000000000, -0.0002314900000000, -0.0004962900000000 ] - [ -0.0044266500000000, -0.0062941300000000, 0.0004586000000000 ] - [ 0.0000434200000000, 0.0000095400000000, -0.0001725100000000 ] - [ -0.0172795800000000, -0.0066675500000000, 0.0045701200000000 ] - [ -0.0002202200000000, 0.0000232900000000, -0.0004530000000000 ] - [ 0.0007352100000000, 0.0040866400000000, 0.0013037200000000 ] - [ 0.0000318400000000, -0.0000937100000000, -0.0002683800000000 ] - [ -0.0003843200000000, 0.0011962800000000, -0.0014540400000000 ] - [ 0.0000066300000000, 0.0003149500000000, -0.0003579800000000 ] - [ -0.0090648600000000, 0.0082856300000000, -0.0047065600000000 ] - [ -0.0004104100000000, 0.0000646100000000, -0.0004569300000000 ] - [ 0.0001115200000000, -0.0001590800000000, -0.0001434500000000 ] - [ 0.0003692600000000, -0.0005560800000000, -0.0000659300000000 ] - [ -0.0001780100000000, 0.0004353200000000, -0.0002579200000000 ] - [ -0.0003228500000000, 0.0028307400000000, -0.0004360600000000 ] - [ -0.0002299200000000, -0.0004339200000000, -0.0002094700000000 ] - [ -0.0007319400000000, -0.0011966700000000, 0.0005307000000000 ] - [ -0.0024049800000000, -0.0004840000000000, -0.0018957900000000 ] - [ -0.0003841200000000, 0.0001480100000000, 0.0004770500000000 ] - [ -0.0003644700000000, -0.0011590500000000, 0.0002925700000000 ] - [ -0.0001948400000000, -0.0000173200000000, -0.0002846700000000 ] - [ 0.0002869000000000, 0.0004311100000000, -0.0002742800000000 ] - [ 0.0001774900000000, 0.0000157900000000, -0.0003219100000000 ] - [ -0.0006322300000000, 0.0014294700000000, 0.0008431200000000 ] - [ 0.0009318900000000, -0.0009517000000000, -0.0031677500000000 ] - [ 0.0006775400000000, 0.0014058700000000, -0.0034412900000000 ] - [ 0.0002771000000000, 0.0002576700000000, 0.0003259900000000 ] - [ 0.0002619300000000, 0.0004521200000000, 0.0000205000000000 ] - [ 0.0011665300000000, 0.0005511500000000, 0.0001768800000000 ] - [ -0.0007246700000000, 0.0009770600000000, 0.0015330600000000 ] - [ -0.0009962300000000, 0.0009551900000000, 0.0001250600000000 ] - [ 0.0002642100000000, -0.0017403900000000, 0.0002497700000000 ] - [ 0.0001280500000000, -0.0003654600000000, 0.0000484500000000 ] - [ 0.0002216100000000, -0.0005799800000000, 0.0002224000000000 ] - [ 0.0002595800000000, -0.0003291100000000, -0.0002258700000000 ] - [ 0.1011096200000000, -0.1536282200000000, -0.0216014500000000 ] - [ -0.0000788000000000, -0.0000707300000000, 0.0005664900000000 ] - [ 0.0097790500000000, 0.0012424300000000, 0.0018401900000000 ] - [ 0.0000708900000000, 0.0001016400000000, 0.0004976800000000 ] - [ -0.0235600200000000, 0.0023158700000000, -0.0026074600000000 ] - [ 0.0000197300000000, -0.0000897100000000, 0.0005525000000000 ] - [ -0.0017478200000000, -0.0041185500000000, -0.0002277800000000 ] - [ -0.0002334100000000, -0.0000698400000000, 0.0001852400000000 ] - [ -0.0034953100000000, 0.0065342300000000, 0.0279830400000000 ] - [ -0.0001231200000000, 0.0000871000000000, -0.0001743800000000 ] - [ 0.0047136100000000, 0.0012708300000000, -0.0158574000000000 ] - [ 0.0003715500000000, -0.0000579800000000, 0.0004088200000000 ] - [ -0.0016748100000000, 0.0031081400000000, 0.0006603300000000 ] - [ -0.0002623600000000, 0.0000791000000000, 0.0001606900000000 ] - [ -0.0027876600000000, 0.0037406500000000, -0.0019031400000000 ] - [ -0.0001352100000000, 0.0005140300000000, 0.0004252300000000 ] - [ 0.0008440400000000, -0.0024863600000000, 0.0227289600000000 ] - [ 0.0001461400000000, -0.0004370000000000, -0.0001206000000000 ] - [ 0.0025560600000000, 0.0367389300000000, 0.0039081000000000 ] - [ 0.0000966200000000, 0.0000693400000000, 0.0004260100000000 ] - [ -0.0262559000000000, -0.0043574300000000, -0.0032956200000000 ] - [ -0.0000496500000000, -0.0001171400000000, 0.0004432200000000 ] - [ -0.0001027300000000, 0.0301194500000000, -0.0084904800000000 ] - [ -0.0000867600000000, 0.0001037100000000, 0.0004691100000000 ] - [ -0.0013209300000000, 0.0032888800000000, 0.0006838600000000 ] - [ -0.0000806200000000, 0.0001827400000000, 0.0005262400000000 ] - [ 0.0017455800000000, -0.0045908200000000, -0.0029063300000000 ] - [ 0.0002989200000000, -0.0005451100000000, 0.0008638300000000 ] - [ 0.0012702700000000, 0.0025014900000000, 0.0003838700000000 ] - [ 0.0000079700000000, 0.0001376400000000, 0.0001012600000000 ] - [ 0.0002776400000000, 0.0002947200000000, 0.0013538800000000 ] - [ 0.0007836000000000, -0.0006619500000000, -0.0058108500000000 ] - [ 0.0001531800000000, 0.0000940000000000, -0.0001066300000000 ] - [ 0.0026674600000000, 0.0009185700000000, 0.0010264600000000 ] - [ -0.0001346700000000, -0.0000924600000000, 0.0004391600000000 ] - [ -0.0017581400000000, -0.0020552400000000, 0.0001921800000000 ] - [ -0.0001400500000000, -0.0017508700000000, 0.0009020400000000 ] - [ -0.0004651600000000, -0.0052388800000000, -0.0047385000000000 ] - [ -0.0065044200000000, 0.0066386800000000, -0.0043843800000000 ] - [ -0.0007812600000000, 0.0011172900000000, 0.0011169300000000 ] - [ 0.0155993500000000, 0.0014643600000000, 0.0035760300000000 ] - [ 0.0001242400000000, -0.0000015000000000, 0.0005341800000000 ]- atom: 73 displacement: [ 0.0050000000006216, -0.0086602540374855, 0.0000000000000000 ] forces: - [ 0.0089199000000000, -0.0175175200000000, 0.0018824100000000 ] - [ 0.0001431200000000, -0.0001651500000000, 0.0003144600000000 ] - [ 0.0030894000000000, 0.0001075600000000, -0.0025576300000000 ] - [ 0.0000630300000000, 0.0000193600000000, 0.0002762000000000 ] - [ -0.0061830200000000, -0.0010108200000000, 0.0046606100000000 ] - [ -0.0001293500000000, 0.0000108600000000, 0.0002625000000000 ] - [ -0.0052921200000000, -0.0051220600000000, -0.0013082100000000 ] - [ -0.0000656700000000, -0.0000745700000000, 0.0001851200000000 ] - [ 0.0333029700000000, -0.0360070500000000, -0.0069984600000000 ] - [ -0.0000210700000000, 0.0000333700000000, 0.0001492300000000 ] - [ 0.0051316100000000, -0.0233713000000000, 0.0009772200000000 ] - [ 0.0000883700000000, -0.0000329000000000, 0.0002150200000000 ] - [ 0.0016415900000000, 0.0032863400000000, 0.0001941900000000 ] - [ 0.0000760700000000, 0.0000477400000000, 0.0000413500000000 ] - [ -0.0026462600000000, 0.0008562200000000, -0.0042322400000000 ] - [ -0.0001935400000000, -0.0004074800000000, 0.0005266600000000 ] - [ -0.0039373800000000, 0.0040925000000000, -0.0059855200000000 ] - [ 0.0004074700000000, 0.0002123100000000, 0.0005194300000000 ] - [ -0.0023769300000000, 0.0083307000000000, 0.0047879200000000 ] - [ -0.0003382800000000, 0.0003429300000000, 0.0004422300000000 ] - [ 0.0091164800000000, -0.0131506000000000, 0.0024281300000000 ] - [ -0.0000438300000000, -0.0000630800000000, 0.0001856700000000 ] - [ -0.0024618800000000, 0.0028954900000000, -0.0000448400000000 ] - [ 0.0000251500000000, -0.0000297900000000, 0.0001488800000000 ] - [ 0.0004704200000000, 0.0073455900000000, 0.0002613900000000 ] - [ -0.0000183200000000, 0.0000723600000000, 0.0002678000000000 ] - [ -0.0071435700000000, 0.0094496400000000, -0.0024254000000000 ] - [ -0.0000081300000000, 0.0000481300000000, 0.0002981700000000 ] - [ 0.0141298000000000, -0.0218478500000000, -0.0041046300000000 ] - [ -0.0000108500000000, -0.0000479100000000, 0.0002136600000000 ] - [ 0.0010620100000000, 0.0056212400000000, 0.0043889800000000 ] - [ -0.0000376600000000, 0.0000928400000000, 0.0000935700000000 ] - [ -0.0053444500000000, -0.0005471300000000, 0.0042097900000000 ] - [ -0.0001055200000000, -0.0000486700000000, 0.0001203000000000 ] - [ -0.0007308200000000, 0.0023033200000000, -0.0029136800000000 ] - [ -0.0000231000000000, 0.0002393500000000, 0.0002385600000000 ] - [ -0.0007640700000000, -0.0013304700000000, -0.0048282200000000 ] - [ -0.0001328000000000, 0.0002368900000000, 0.0003534300000000 ] - [ 0.0045082500000000, 0.0061092300000000, -0.0003804500000000 ] - [ 0.0000463800000000, -0.0001740100000000, 0.0002479900000000 ] - [ 0.0175942100000000, 0.0067623200000000, -0.0045019700000000 ] - [ 0.0003203800000000, 0.0001351500000000, 0.0005287400000000 ] - [ -0.0009732900000000, -0.0040471000000000, -0.0011996000000000 ] - [ -0.0002162700000000, 0.0000979900000000, 0.0003396200000000 ] - [ 0.0002900800000000, -0.0009500100000000, 0.0012781600000000 ] - [ -0.0001346900000000, -0.0001057200000000, 0.0002152500000000 ] - [ 0.0088358500000000, -0.0084433400000000, 0.0043123200000000 ] - [ 0.0002903500000000, -0.0002863500000000, 0.0003110100000000 ] - [ -0.0000689300000000, 0.0001948400000000, 0.0002563500000000 ] - [ -0.0003200500000000, 0.0006153500000000, 0.0001190300000000 ] - [ 0.0001885900000000, -0.0004958500000000, 0.0003524300000000 ] - [ 0.0003427200000000, -0.0029034600000000, 0.0004913300000000 ] - [ 0.0001729500000000, 0.0004457400000000, 0.0003188200000000 ] - [ 0.0006475300000000, 0.0012042600000000, -0.0004761800000000 ] - [ 0.0023863000000000, 0.0003963100000000, 0.0018676200000000 ] - [ 0.0003492200000000, -0.0001962600000000, -0.0005529300000000 ] - [ 0.0003371400000000, 0.0012424500000000, -0.0003239900000000 ] - [ 0.0001733900000000, 0.0000666900000000, 0.0002087300000000 ] - [ -0.0002393100000000, -0.0004279100000000, 0.0002382700000000 ] - [ -0.0001098800000000, -0.0000141900000000, 0.0002462000000000 ] - [ 0.0007846200000000, -0.0013926900000000, -0.0008823200000000 ] - [ -0.0006589800000000, 0.0008725700000000, 0.0029885400000000 ] - [ -0.0005495000000000, -0.0016396300000000, 0.0036320700000000 ] - [ -0.0001683900000000, -0.0004865700000000, -0.0001841000000000 ] - [ -0.0001431900000000, -0.0002341600000000, 0.0001523200000000 ] - [ -0.0010242700000000, -0.0003534200000000, -0.0000355400000000 ] - [ 0.0004934400000000, -0.0009837300000000, -0.0013887500000000 ] - [ 0.0007521600000000, -0.0009249200000000, 0.0000194500000000 ] - [ -0.0003641600000000, 0.0018892100000000, -0.0002879200000000 ] - [ -0.0001995200000000, 0.0006356300000000, -0.0002156400000000 ] - [ -0.0003036000000000, 0.0004210500000000, -0.0002635400000000 ] - [ -0.0004669500000000, 0.0001276400000000, 0.0000556100000000 ] - [ -0.1027659400000000, 0.1538433900000000, 0.0217594500000000 ] - [ -0.0000422900000000, 0.0001053000000000, -0.0004475300000000 ] - [ -0.0097448800000000, -0.0012008800000000, -0.0017414600000000 ] - [ 0.0000163400000000, -0.0000273100000000, -0.0003880100000000 ] - [ 0.0237786800000000, -0.0024717000000000, 0.0027125600000000 ] - [ 0.0000145300000000, -0.0000200800000000, -0.0004420600000000 ] - [ 0.0018805600000000, 0.0040883300000000, 0.0000946700000000 ] - [ 0.0003658400000000, 0.0000610900000000, -0.0002711800000000 ] - [ 0.0033959300000000, -0.0066066900000000, -0.0284005800000000 ] - [ 0.0000421600000000, -0.0001976100000000, 0.0000691800000000 ] - [ -0.0047149200000000, -0.0012460900000000, 0.0157425300000000 ] - [ -0.0004087800000000, 0.0001978900000000, -0.0005063500000000 ] - [ 0.0015324600000000, -0.0030674700000000, -0.0005316300000000 ] - [ 0.0001324200000000, -0.0000688700000000, -0.0000617100000000 ] - [ 0.0029000300000000, -0.0036511900000000, 0.0020512900000000 ] - [ 0.0002042400000000, -0.0004136200000000, -0.0003238500000000 ] - [ -0.0008259200000000, 0.0023119000000000, -0.0224957000000000 ] - [ -0.0000958900000000, 0.0003081400000000, 0.0002298500000000 ] - [ -0.0023878200000000, -0.0363838200000000, -0.0039373400000000 ] - [ 0.0000261700000000, -0.0001041600000000, -0.0005221900000000 ] - [ 0.0260228800000000, 0.0042686900000000, 0.0032155500000000 ] - [ -0.0000444000000000, 0.0000355800000000, -0.0005393300000000 ] - [ 0.0001076400000000, -0.0303684300000000, 0.0084837600000000 ] - [ 0.0000613400000000, 0.0000097400000000, -0.0005605600000000 ] - [ 0.0012268000000000, -0.0032508100000000, -0.0006394900000000 ] - [ -0.0000435400000000, -0.0001687600000000, -0.0004435800000000 ] - [ -0.0015594700000000, 0.0046723200000000, 0.0030604000000000 ] - [ -0.0002180800000000, 0.0006375100000000, -0.0007778200000000 ] - [ -0.0012560400000000, -0.0026237700000000, -0.0003321900000000 ] - [ 0.0000242600000000, -0.0002641500000000, -0.0000127400000000 ] - [ -0.0001382800000000, -0.0003049200000000, -0.0014582600000000 ] - [ -0.0006769900000000, 0.0006417100000000, 0.0057494800000000 ] - [ -0.0002394400000000, -0.0002037900000000, -0.0000006400000000 ] - [ -0.0027442900000000, -0.0009901000000000, -0.0010864700000000 ] - [ 0.0000924900000000, 0.0002265100000000, -0.0005394300000000 ] - [ 0.0017453600000000, 0.0021678300000000, -0.0002668200000000 ] - [ 0.0001198600000000, 0.0017861100000000, -0.0009006900000000 ] - [ 0.0003863400000000, 0.0052779700000000, 0.0047497200000000 ] - [ 0.0064956700000000, -0.0066464200000000, 0.0042720000000000 ] - [ 0.0008086200000000, -0.0010912800000000, -0.0010577500000000 ] - [ -0.0155687000000000, -0.0012940900000000, -0.0036952900000000 ] - [ -0.0001363100000000, -0.0000015200000000, -0.0005407800000000 ]- atom: 73 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ -0.0014268700000000, -0.0007814000000000, 0.0222844100000000 ] - [ 0.0002900100000000, 0.0000665100000000, -0.0027760700000000 ] - [ 0.0030905000000000, 0.0014554700000000, 0.0031858000000000 ] - [ -0.0002670800000000, -0.0003174500000000, -0.0025353900000000 ] - [ 0.0041045500000000, -0.0005391200000000, 0.0026245500000000 ] - [ -0.0004480600000000, 0.0002217600000000, -0.0025360700000000 ] - [ 0.0018771700000000, 0.0005585500000000, 0.0048539000000000 ] - [ -0.0000013400000000, 0.0000135500000000, -0.0025908200000000 ] - [ 0.0022122800000000, -0.0011018100000000, 0.0157159700000000 ] - [ -0.0000347600000000, -0.0000224600000000, -0.0027895100000000 ] - [ -0.0021088300000000, -0.0042680300000000, 0.0219687600000000 ] - [ -0.0000269600000000, 0.0000158000000000, -0.0027783600000000 ] - [ -0.0007326800000000, 0.0005087700000000, 0.0036111300000000 ] - [ 0.0006777300000000, -0.0007644100000000, -0.0023624600000000 ] - [ -0.0017490100000000, -0.0001703100000000, 0.0040577100000000 ] - [ 0.0004058600000000, 0.0007666800000000, -0.0022526700000000 ] - [ -0.0009062400000000, 0.0026478600000000, 0.0039221100000000 ] - [ -0.0007798700000000, -0.0002519200000000, -0.0022732100000000 ] - [ -0.0004572600000000, -0.0029939200000000, 0.0032380700000000 ] - [ 0.0004517100000000, -0.0004696700000000, -0.0021941900000000 ] - [ 0.0013596000000000, -0.0064790400000000, 0.0235740800000000 ] - [ 0.0004066600000000, 0.0010743500000000, -0.0025904000000000 ] - [ 0.0008606600000000, -0.0007177000000000, 0.0027343000000000 ] - [ -0.0009704300000000, -0.0001939300000000, -0.0022715300000000 ] - [ 0.0006924400000000, -0.0013188300000000, 0.0041996700000000 ] - [ 0.0000232200000000, 0.0000544000000000, -0.0022520800000000 ] - [ 0.0008456900000000, -0.0016327600000000, 0.0047209500000000 ] - [ 0.0000245000000000, -0.0000503100000000, -0.0022830300000000 ] - [ -0.0058164700000000, 0.0049124800000000, 0.0173051500000000 ] - [ -0.0000952600000000, 0.0000504600000000, -0.0024499200000000 ] - [ -0.0003944800000000, -0.0040227400000000, 0.0014503700000000 ] - [ 0.0000068600000000, 0.0003138800000000, -0.0024205000000000 ] - [ 0.0033117300000000, 0.0003260700000000, 0.0014691200000000 ] - [ -0.0002861600000000, 0.0001101400000000, -0.0023698800000000 ] - [ -0.0003543800000000, 0.0012036500000000, 0.0026182200000000 ] - [ 0.0001201000000000, -0.0004010100000000, -0.0023962800000000 ] - [ -0.0047405800000000, 0.0057748500000000, 0.0060009400000000 ] - [ 0.0010635500000000, -0.0010190000000000, -0.0026953500000000 ] - [ -0.0004996300000000, -0.0010378400000000, 0.0033165400000000 ] - [ 0.0004098700000000, 0.0008577900000000, -0.0022714300000000 ] - [ 0.0103742500000000, 0.0098797500000000, 0.0091190600000000 ] - [ -0.0011141400000000, -0.0001735600000000, -0.0026856400000000 ] - [ -0.0011962900000000, 0.0031160100000000, 0.0047872200000000 ] - [ 0.0005037500000000, -0.0008280400000000, -0.0023367700000000 ] - [ -0.0037069700000000, -0.0064461300000000, 0.0057587600000000 ] - [ 0.0006162400000000, 0.0012826700000000, -0.0026831600000000 ] - [ -0.0119695300000000, -0.0006351100000000, 0.0157661100000000 ] - [ -0.0011942500000000, -0.0002160000000000, -0.0028877500000000 ] - [ -0.0002653100000000, -0.0000008500000000, -0.0012984800000000 ] - [ -0.0000298600000000, 0.0001298400000000, -0.0006270400000000 ] - [ -0.0007612700000000, -0.0000222100000000, -0.0034597700000000 ] - [ 0.0030796200000000, 0.0011409500000000, -0.0032476000000000 ] - [ -0.0001142200000000, -0.0008635100000000, -0.0016987100000000 ] - [ 0.0001735800000000, 0.0007772700000000, -0.0009161100000000 ] - [ -0.0017553200000000, -0.0058731300000000, -0.0039778400000000 ] - [ 0.0004120400000000, 0.0005213200000000, -0.0024577200000000 ] - [ 0.0008715500000000, 0.0027608200000000, -0.0017823500000000 ] - [ -0.0000108300000000, -0.0006593100000000, -0.0016883400000000 ] - [ -0.0038419500000000, -0.0007146200000000, -0.0010857400000000 ] - [ 0.0002938900000000, 0.0002587100000000, -0.0017596900000000 ] - [ -0.0033279800000000, 0.0041999400000000, -0.0024606500000000 ] - [ 0.0016028000000000, -0.0014893600000000, -0.0032555200000000 ] - [ 0.0016809200000000, 0.0003223900000000, -0.0041548100000000 ] - [ 0.0008082200000000, 0.0057132100000000, -0.0053730600000000 ] - [ 0.0002111400000000, 0.0002936600000000, -0.0007320200000000 ] - [ -0.0029442700000000, -0.0001442500000000, -0.0025291200000000 ] - [ 0.0012713800000000, 0.0004621700000000, -0.0039320700000000 ] - [ 0.0016013400000000, -0.0058175900000000, -0.0053178900000000 ] - [ 0.0006195200000000, -0.0001438300000000, -0.0014054900000000 ] - [ -0.0000826500000000, 0.0010047000000000, -0.0012146600000000 ] - [ -0.0006040300000000, -0.0003229200000000, -0.0012287200000000 ] - [ -0.0007026300000000, -0.0004227600000000, -0.0011552300000000 ] - [ 0.0087794600000000, -0.0200824800000000, -0.1500446700000000 ] - [ -0.0005624800000000, 0.0003032000000000, 0.0045087900000000 ] - [ -0.0026693600000000, -0.0003509100000000, -0.0104830400000000 ] - [ 0.0005374300000000, 0.0003001500000000, 0.0042063700000000 ] - [ -0.0038416900000000, 0.0000981300000000, -0.0104788300000000 ] - [ 0.0000474800000000, -0.0005895800000000, 0.0042059700000000 ] - [ -0.0012011600000000, -0.0009040100000000, -0.0019498000000000 ] - [ 0.0001393800000000, 0.0003160000000000, 0.0042992700000000 ] - [ -0.0157332900000000, 0.0224302800000000, 0.0108499900000000 ] - [ 0.0004326000000000, -0.0005110100000000, 0.0054871700000000 ] - [ -0.0101698000000000, -0.0264832900000000, 0.0108519400000000 ] - [ -0.0002413900000000, 0.0003087900000000, 0.0054867800000000 ] - [ 0.0016295600000000, 0.0017437000000000, -0.0011017100000000 ] - [ -0.0006177300000000, 0.0002154200000000, 0.0030859400000000 ] - [ 0.0003930300000000, -0.0020713100000000, -0.0016614600000000 ] - [ 0.0000716800000000, 0.0006685600000000, 0.0033622300000000 ] - [ -0.0121200000000000, 0.0104372500000000, 0.0159949500000000 ] - [ 0.0004456800000000, -0.0012236300000000, 0.0045835200000000 ] - [ 0.0048902700000000, 0.0072531000000000, -0.0114427800000000 ] - [ -0.0004379100000000, 0.0002459700000000, 0.0039556700000000 ] - [ -0.0084885600000000, -0.0029833500000000, -0.0106932300000000 ] - [ 0.0004723400000000, 0.0002136000000000, 0.0039417400000000 ] - [ 0.0028735400000000, 0.0021734100000000, -0.0106985100000000 ] - [ -0.0000588700000000, -0.0004778700000000, 0.0039413200000000 ] - [ -0.0004184400000000, 0.0004823200000000, -0.0010916200000000 ] - [ -0.0002598600000000, 0.0000135200000000, 0.0030649900000000 ] - [ 0.0225218000000000, 0.0049332800000000, 0.0157916600000000 ] - [ -0.0001439700000000, 0.0002365300000000, 0.0045716200000000 ] - [ 0.0005034600000000, 0.0019429000000000, -0.0016496300000000 ] - [ 0.0000856600000000, -0.0005206500000000, 0.0033419200000000 ] - [ -0.0003000600000000, 0.0014276000000000, 0.0055781900000000 ] - [ -0.0032662600000000, -0.0086436800000000, 0.0035597300000000 ] - [ 0.0004684500000000, -0.0004814000000000, 0.0034487000000000 ] - [ 0.0001880600000000, 0.0037828800000000, -0.0011910600000000 ] - [ 0.0005985100000000, -0.0002590900000000, 0.0034493600000000 ] - [ 0.0002440900000000, -0.0013152400000000, -0.0011892000000000 ] - [ -0.0024096600000000, -0.0005134300000000, 0.0066186100000000 ] - [ 0.0297061400000000, 0.0040964200000000, 0.0162904800000000 ] - [ 0.0026635400000000, -0.0016948500000000, -0.0020366500000000 ] - [ -0.0006753800000000, 0.0006969200000000, 0.0042695700000000 ] - [ -0.0048051300000000, 0.0053216300000000, -0.0198028200000000 ] - [ 0.0000918000000000, -0.0000053800000000, 0.0049267100000000 ]- atom: 73 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0018601900000000, 0.0008926800000000, -0.0250767300000000 ] - [ -0.0002408900000000, -0.0000223900000000, 0.0029560900000000 ] - [ -0.0030908000000000, -0.0015280700000000, -0.0030594300000000 ] - [ 0.0002768900000000, 0.0002520700000000, 0.0027115000000000 ] - [ -0.0041855400000000, 0.0005646500000000, -0.0024987800000000 ] - [ 0.0003723800000000, -0.0002096800000000, 0.0027163500000000 ] - [ -0.0019218500000000, -0.0005989300000000, -0.0050296300000000 ] - [ -0.0000589500000000, -0.0000506800000000, 0.0024305400000000 ] - [ -0.0024186800000000, 0.0013720800000000, -0.0159699800000000 ] - [ 0.0000354300000000, 0.0000916900000000, 0.0026217900000000 ] - [ 0.0022067700000000, 0.0042761200000000, -0.0221292100000000 ] - [ 0.0000926700000000, -0.0000455300000000, 0.0026114300000000 ] - [ 0.0009192100000000, -0.0004945500000000, -0.0038050300000000 ] - [ -0.0005100400000000, 0.0008060700000000, 0.0021964500000000 ] - [ 0.0018313400000000, -0.0000632300000000, -0.0038394300000000 ] - [ -0.0003556500000000, -0.0010479400000000, 0.0025192100000000 ] - [ 0.0010626800000000, -0.0024752300000000, -0.0037180000000000 ] - [ 0.0010010900000000, 0.0004324300000000, 0.0025394300000000 ] - [ 0.0002172400000000, 0.0030490900000000, -0.0030264800000000 ] - [ -0.0007197700000000, 0.0005710800000000, 0.0024595800000000 ] - [ -0.0018334500000000, 0.0064244000000000, -0.0238663400000000 ] - [ -0.0005144400000000, -0.0009399700000000, 0.0024179400000000 ] - [ -0.0009487300000000, 0.0005497100000000, -0.0029318700000000 ] - [ 0.0009263100000000, 0.0000278800000000, 0.0021088900000000 ] - [ -0.0006315500000000, 0.0013619200000000, -0.0040998000000000 ] - [ 0.0000253600000000, -0.0000230000000000, 0.0023513900000000 ] - [ -0.0008435700000000, 0.0015699100000000, -0.0046232400000000 ] - [ -0.0000271700000000, -0.0000025100000000, 0.0023827600000000 ] - [ 0.0055569300000000, -0.0046948300000000, -0.0172103800000000 ] - [ 0.0000353200000000, -0.0000328500000000, 0.0025524600000000 ] - [ 0.0003190100000000, 0.0039697700000000, -0.0015522400000000 ] - [ -0.0000692700000000, -0.0003593000000000, 0.0022899700000000 ] - [ -0.0032787100000000, -0.0002386200000000, -0.0015744800000000 ] - [ 0.0002817600000000, -0.0000334900000000, 0.0022406100000000 ] - [ 0.0004248700000000, -0.0012404800000000, -0.0027250500000000 ] - [ -0.0000416600000000, 0.0003780400000000, 0.0022670800000000 ] - [ 0.0049732400000000, -0.0057508500000000, -0.0061410400000000 ] - [ -0.0008346500000000, 0.0010018000000000, 0.0025377800000000 ] - [ 0.0006115200000000, 0.0008957500000000, -0.0032138900000000 ] - [ -0.0002935400000000, -0.0010124000000000, 0.0023395100000000 ] - [ -0.0102842300000000, -0.0097726500000000, -0.0088774500000000 ] - [ 0.0011829800000000, 0.0003560400000000, 0.0027459900000000 ] - [ 0.0009996800000000, -0.0031119000000000, -0.0046838900000000 ] - [ -0.0006872900000000, 0.0007881800000000, 0.0023960300000000 ] - [ 0.0035582000000000, 0.0066362800000000, -0.0058953000000000 ] - [ -0.0007202400000000, -0.0010761300000000, 0.0025259800000000 ] - [ 0.0121577800000000, 0.0004547800000000, -0.0137247300000000 ] - [ 0.0010537800000000, 0.0000229200000000, 0.0027252500000000 ] - [ 0.0003254400000000, 0.0000439500000000, 0.0014288400000000 ] - [ 0.0001021600000000, -0.0001076700000000, 0.0007599900000000 ] - [ 0.0007724100000000, -0.0000515100000000, 0.0035968000000000 ] - [ -0.0030622400000000, -0.0012087300000000, 0.0033489200000000 ] - [ 0.0000394900000000, 0.0008903300000000, 0.0018336700000000 ] - [ -0.0002360800000000, -0.0007306400000000, 0.0010551500000000 ] - [ 0.0017252600000000, 0.0058812600000000, 0.0039106600000000 ] - [ -0.0004586000000000, -0.0005666500000000, 0.0023544200000000 ] - [ -0.0008804700000000, -0.0027223600000000, 0.0016919600000000 ] - [ -0.0000035700000000, 0.0007235100000000, 0.0015885400000000 ] - [ 0.0039286500000000, 0.0007007100000000, 0.0009847300000000 ] - [ -0.0002136200000000, -0.0002732800000000, 0.0016591400000000 ] - [ 0.0036029700000000, -0.0042783400000000, 0.0023575300000000 ] - [ -0.0013191400000000, 0.0013846900000000, 0.0030922800000000 ] - [ -0.0015837000000000, -0.0005351600000000, 0.0043139000000000 ] - [ -0.0006802600000000, -0.0058929400000000, 0.0055052200000000 ] - [ -0.0000814800000000, -0.0001012900000000, 0.0008833700000000 ] - [ 0.0030721800000000, 0.0003593800000000, 0.0026919900000000 ] - [ -0.0014976200000000, -0.0004561900000000, 0.0040822700000000 ] - [ -0.0018423600000000, 0.0057769100000000, 0.0054473500000000 ] - [ -0.0006997300000000, 0.0003941900000000, 0.0012838900000000 ] - [ 0.0000277700000000, -0.0007171000000000, 0.0010615900000000 ] - [ 0.0004224100000000, 0.0001328700000000, 0.0011046500000000 ] - [ 0.0004780800000000, 0.0002355000000000, 0.0009996000000000 ] - [ -0.0090906800000000, 0.0196706900000000, 0.1510699600000000 ] - [ 0.0004754400000000, -0.0002649400000000, -0.0044070200000000 ] - [ 0.0026855900000000, 0.0003811200000000, 0.0105296900000000 ] - [ -0.0004533200000000, -0.0002514600000000, -0.0041040400000000 ] - [ 0.0037884000000000, -0.0001953600000000, 0.0105392700000000 ] - [ -0.0000611300000000, 0.0004849400000000, -0.0041018600000000 ] - [ 0.0012887400000000, 0.0008938100000000, 0.0018598500000000 ] - [ -0.0000250900000000, -0.0003350100000000, -0.0043915000000000 ] - [ 0.0158568600000000, -0.0227499000000000, -0.0110719600000000 ] - [ -0.0005083200000000, 0.0004314400000000, -0.0055571800000000 ] - [ 0.0102712200000000, 0.0268591800000000, -0.0110568500000000 ] - [ 0.0002038900000000, -0.0002041900000000, -0.0055554700000000 ] - [ -0.0016915500000000, -0.0016893600000000, 0.0011901200000000 ] - [ 0.0005256700000000, -0.0001791000000000, -0.0029731900000000 ] - [ -0.0003086900000000, 0.0020883400000000, 0.0017413800000000 ] - [ 0.0000233200000000, -0.0006142300000000, -0.0032650400000000 ] - [ 0.0119395300000000, -0.0103485800000000, -0.0157168200000000 ] - [ -0.0004375900000000, 0.0011154200000000, -0.0044939700000000 ] - [ -0.0047749800000000, -0.0074100400000000, 0.0113141900000000 ] - [ 0.0005154400000000, -0.0002898800000000, -0.0040334700000000 ] - [ 0.0084727900000000, 0.0029212400000000, 0.0105894700000000 ] - [ -0.0005467400000000, -0.0002387200000000, -0.0040245600000000 ] - [ -0.0028816700000000, -0.0020099300000000, 0.0105858800000000 ] - [ 0.0000706900000000, 0.0005772100000000, -0.0040267700000000 ] - [ 0.0002983500000000, -0.0004659600000000, 0.0012038900000000 ] - [ 0.0001561200000000, 0.0000057900000000, -0.0029957600000000 ] - [ -0.0226953800000000, -0.0049096100000000, -0.0158914200000000 ] - [ 0.0002139900000000, -0.0001599300000000, -0.0044720600000000 ] - [ -0.0004688800000000, -0.0020827200000000, 0.0017616900000000 ] - [ -0.0000516500000000, 0.0004185100000000, -0.0032706500000000 ] - [ 0.0004123600000000, -0.0014698800000000, -0.0056838400000000 ] - [ 0.0033437400000000, 0.0085027100000000, -0.0036357400000000 ] - [ -0.0005653200000000, 0.0004235800000000, -0.0035482000000000 ] - [ -0.0002802800000000, -0.0038216100000000, 0.0010739900000000 ] - [ -0.0006124800000000, 0.0003831400000000, -0.0035373800000000 ] - [ -0.0002669700000000, 0.0014347100000000, 0.0010711800000000 ] - [ 0.0024121100000000, 0.0005064500000000, -0.0066157400000000 ] - [ -0.0294475200000000, -0.0040646100000000, -0.0160606700000000 ] - [ -0.0026905600000000, 0.0017164000000000, 0.0020239000000000 ] - [ 0.0006786400000000, -0.0006859400000000, -0.0042547400000000 ] - [ 0.0048923600000000, -0.0051708000000000, 0.0197063400000000 ] - [ -0.0000763900000000, -0.0000044900000000, -0.0049230000000000 ]- atom: 109 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0023880800000000, -0.0012704000000000, 0.0049616100000000 ] - [ 0.0010683800000000, -0.0001745700000000, -0.0042786500000000 ] - [ 0.0061050100000000, -0.0039484400000000, -0.0019943900000000 ] - [ 0.0014036800000000, -0.0002249300000000, 0.0016897400000000 ] - [ 0.0041055200000000, 0.0047189200000000, -0.0026993600000000 ] - [ 0.0011857800000000, 0.0001019500000000, 0.0027939500000000 ] - [ 0.0010339600000000, -0.0002267200000000, -0.0044308800000000 ] - [ -0.0023759700000000, -0.0013301700000000, 0.0047926700000000 ] - [ 0.0013906400000000, -0.0001613600000000, 0.0015832200000000 ] - [ 0.0060422000000000, -0.0038849700000000, -0.0021608200000000 ] - [ 0.0012612300000000, 0.0000966100000000, 0.0026681100000000 ] - [ 0.0041247300000000, 0.0047069200000000, -0.0028729400000000 ] - [ 0.0000491100000000, -0.0004432800000000, 0.0001370700000000 ] - [ 0.0004543700000000, -0.0019352500000000, -0.0002744800000000 ] - [ -0.0034550800000000, -0.0023370100000000, -0.0002461100000000 ] - [ -0.0012869100000000, -0.0006619900000000, 0.0006719600000000 ] - [ -0.0016947800000000, 0.0013305800000000, 0.0006564200000000 ] - [ -0.0006131700000000, 0.0007050300000000, -0.0006241400000000 ] - [ 0.0002920100000000, -0.0020190900000000, -0.0001235000000000 ] - [ -0.0001061600000000, -0.0005161000000000, 0.0002736200000000 ] - [ -0.0014316200000000, -0.0005505000000000, 0.0005131500000000 ] - [ -0.0035853200000000, -0.0022191900000000, -0.0003825800000000 ] - [ -0.0006362800000000, 0.0005364700000000, -0.0007717400000000 ] - [ -0.0017162700000000, 0.0011601000000000, 0.0005040900000000 ] - [ -0.0000639500000000, -0.0004488500000000, -0.0000826600000000 ] - [ -0.0021989200000000, -0.0020608400000000, 0.0025734500000000 ] - [ 0.0001287700000000, 0.0003379700000000, 0.0000253000000000 ] - [ 0.0005590700000000, 0.0067524500000000, 0.0024857600000000 ] - [ -0.0007408900000000, 0.0001045800000000, 0.0001704600000000 ] - [ -0.0085681300000000, 0.0047488200000000, -0.0049454000000000 ] - [ -0.0000526000000000, 0.0000690800000000, 0.0000703000000000 ] - [ -0.0042476700000000, 0.0102086200000000, -0.0016680900000000 ] - [ -0.0001946800000000, -0.0000140600000000, -0.0002032000000000 ] - [ -0.0168130300000000, -0.0029001500000000, 0.0028684100000000 ] - [ 0.0000401700000000, -0.0001197800000000, -0.0000397800000000 ] - [ 0.0009234400000000, -0.0072199100000000, -0.0013643600000000 ] - [ 0.0003642400000000, 0.0000711800000000, -0.0004585600000000 ] - [ 0.0586874600000000, -0.0330551600000000, -0.0263724100000000 ] - [ 0.0002251200000000, 0.0002422500000000, -0.0000083200000000 ] - [ 0.0020438400000000, -0.0019851100000000, 0.0000866700000000 ] - [ -0.0001937500000000, -0.0000397000000000, 0.0000098900000000 ] - [ -0.0068466000000000, -0.0063452000000000, -0.0055158000000000 ] - [ -0.0003827700000000, 0.0002201400000000, -0.0000418700000000 ] - [ -0.0063576000000000, 0.0033256700000000, 0.0054433100000000 ] - [ 0.0001817600000000, 0.0000641900000000, -0.0002699500000000 ] - [ 0.0381847800000000, 0.0251053200000000, -0.0144504900000000 ] - [ 0.0003414100000000, -0.0000773900000000, 0.0006484300000000 ] - [ 0.0950430200000000, 0.0129174400000000, 0.0381700700000000 ] - [ -0.0041896500000000, 0.0103517900000000, -0.0015547500000000 ] - [ -0.0000019100000000, 0.0001124400000000, 0.0001767000000000 ] - [ -0.0167621000000000, -0.0029025000000000, 0.0029312900000000 ] - [ -0.0001823900000000, -0.0000803700000000, -0.0000962600000000 ] - [ 0.0008908300000000, -0.0071553200000000, -0.0012230700000000 ] - [ -0.0000284600000000, -0.0001027000000000, 0.0000672100000000 ] - [ -0.0022927200000000, -0.0020963200000000, 0.0025155300000000 ] - [ -0.0000942300000000, -0.0004979200000000, -0.0001611500000000 ] - [ 0.0005336800000000, 0.0068535400000000, 0.0024495700000000 ] - [ 0.0001031400000000, 0.0003903600000000, -0.0000514500000000 ] - [ -0.0085129000000000, 0.0048020600000000, -0.0050831700000000 ] - [ -0.0006695900000000, 0.0001104100000000, 0.0000899300000000 ] - [ -0.0061806300000000, 0.0033606700000000, 0.0053428300000000 ] - [ -0.0002131400000000, 0.0002864100000000, -0.0000808600000000 ] - [ 0.0382614500000000, 0.0241357900000000, -0.0138800300000000 ] - [ 0.0003851000000000, 0.0000108700000000, -0.0002198400000000 ] - [ 0.0997266600000000, 0.0140020700000000, 0.0415228600000000 ] - [ 0.0002833000000000, 0.0001258000000000, 0.0006954900000000 ] - [ 0.0575619400000000, -0.0313208100000000, -0.0249609800000000 ] - [ 0.0002164000000000, -0.0000815100000000, -0.0004074800000000 ] - [ 0.0019171300000000, -0.0019613800000000, 0.0001013300000000 ] - [ 0.0000867000000000, 0.0003574800000000, -0.0000493500000000 ] - [ -0.0068810100000000, -0.0065851400000000, -0.0055788400000000 ] - [ -0.0002219200000000, -0.0002182500000000, -0.0000308300000000 ] - [ 0.0005965900000000, 0.0002547500000000, -0.0024205400000000 ] - [ 0.0057149200000000, 0.0028542500000000, 0.0295086800000000 ] - [ -0.0014118200000000, 0.0008680200000000, 0.0007554700000000 ] - [ -0.0042946200000000, 0.0042265800000000, -0.0111142700000000 ] - [ -0.0011196600000000, -0.0012758000000000, 0.0016362700000000 ] - [ -0.0006428300000000, -0.0052180400000000, -0.0182499000000000 ] - [ 0.0057815000000000, 0.0028026900000000, 0.0296400600000000 ] - [ 0.0006404300000000, 0.0001642800000000, -0.0024002100000000 ] - [ -0.0043771300000000, 0.0042407200000000, -0.0113890500000000 ] - [ -0.0015107500000000, 0.0008734400000000, 0.0007729200000000 ] - [ -0.0005752700000000, -0.0051174200000000, -0.0183974200000000 ] - [ -0.0010522500000000, -0.0011817300000000, 0.0016586900000000 ] - [ 0.0000164900000000, 0.0002162200000000, 0.0001239000000000 ] - [ 0.0188892500000000, 0.0291187900000000, -0.0048483900000000 ] - [ -0.0000063100000000, -0.0001331700000000, 0.0000057100000000 ] - [ -0.0066091800000000, -0.0184408500000000, 0.0070255200000000 ] - [ 0.0001428400000000, -0.0000705700000000, 0.0000059900000000 ] - [ 0.0470369400000000, -0.0168051300000000, -0.0020509700000000 ] - [ 0.0003377500000000, -0.0007795900000000, -0.0007316800000000 ] - [ 0.0006874500000000, -0.0071431100000000, 0.0026358400000000 ] - [ 0.0013021500000000, 0.0002184000000000, 0.0008850900000000 ] - [ 0.0089359200000000, 0.0010450000000000, -0.0028838600000000 ] - [ 0.0001500300000000, 0.0006211000000000, -0.0003178300000000 ] - [ -0.0021239900000000, 0.0041985100000000, 0.0001175300000000 ] - [ 0.0005954900000000, -0.0071185800000000, 0.0026561500000000 ] - [ 0.0002949300000000, -0.0006890100000000, -0.0006797900000000 ] - [ 0.0090792900000000, 0.0010486300000000, -0.0027992900000000 ] - [ 0.0013966800000000, 0.0001963700000000, 0.0009261600000000 ] - [ -0.0021848400000000, 0.0041115500000000, 0.0001121100000000 ] - [ 0.0000815800000000, 0.0005383100000000, -0.0002620600000000 ] - [ 0.0190108600000000, 0.0287398500000000, -0.0047935000000000 ] - [ 0.0000271000000000, 0.0000936000000000, 0.0000889200000000 ] - [ -0.0065801700000000, -0.0186339900000000, 0.0069663700000000 ] - [ -0.0001235200000000, -0.0000725900000000, -0.0000346600000000 ] - [ 0.0475192900000000, -0.0170113800000000, -0.0021293900000000 ] - [ 0.0002521800000000, 0.0000009000000000, -0.0000229800000000 ] - [ -0.4675395900000000, -0.0000070400000000, -0.0000231500000000 ] - [ -0.0010585700000000, -0.0000006100000000, 0.0000222900000000 ] - [ 0.0089358900000000, 0.0000544200000000, -0.0000184300000000 ] - [ 0.0009162600000000, 0.0000071100000000, 0.0000039800000000 ] - [ 0.0009138800000000, 0.0000078100000000, -0.0000119600000000 ] - [ 0.0089296500000000, -0.0000543200000000, -0.0000002000000000 ]- atom: 109 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0051066200000000, 0.0004653000000000, -0.0063577000000000 ] - [ -0.0005403900000000, -0.0000477100000000, -0.0040052500000000 ] - [ -0.0021503400000000, -0.0046551100000000, -0.0063577000000000 ] - [ 0.0002288800000000, 0.0004918500000000, -0.0040052500000000 ] - [ -0.0029562700000000, 0.0041898100000000, -0.0063577000000000 ] - [ 0.0003115100000000, -0.0004441400000000, -0.0040052500000000 ] - [ -0.0005857200000000, -0.0001055500000000, -0.0041518500000000 ] - [ 0.0050026200000000, 0.0004207300000000, -0.0064890600000000 ] - [ 0.0002014600000000, 0.0005600300000000, -0.0041518500000000 ] - [ -0.0021369400000000, -0.0045427600000000, -0.0064890600000000 ] - [ 0.0003842700000000, -0.0004544800000000, -0.0041518500000000 ] - [ -0.0028656800000000, 0.0041220300000000, -0.0064890600000000 ] - [ 0.0006819600000000, -0.0017399600000000, -0.0020897300000000 ] - [ 0.0005381200000000, 0.0011707500000000, -0.0018580500000000 ] - [ -0.0013592500000000, -0.0006445700000000, -0.0014303900000000 ] - [ 0.0010945400000000, 0.0009765400000000, -0.0017220800000000 ] - [ 0.0012378400000000, -0.0008548600000000, -0.0014303900000000 ] - [ -0.0013929800000000, 0.0004596300000000, -0.0017220800000000 ] - [ 0.0001214100000000, 0.0014994300000000, -0.0014303900000000 ] - [ 0.0002984400000000, -0.0014361700000000, -0.0017220800000000 ] - [ 0.0011658700000000, 0.0014605700000000, -0.0020897300000000 ] - [ -0.0012829600000000, -0.0001193500000000, -0.0018580500000000 ] - [ -0.0018478300000000, 0.0002793900000000, -0.0020897300000000 ] - [ 0.0007448400000000, -0.0010514000000000, -0.0018580500000000 ] - [ -0.0002776600000000, -0.0000678300000000, -0.0028459900000000 ] - [ 0.0039328000000000, 0.0019379900000000, 0.0017258700000000 ] - [ 0.0000800900000000, 0.0002743800000000, -0.0028459900000000 ] - [ -0.0002880500000000, -0.0043749000000000, 0.0017258700000000 ] - [ 0.0001975800000000, -0.0002065500000000, -0.0028459900000000 ] - [ -0.0036447500000000, 0.0024369100000000, 0.0017258700000000 ] - [ -0.0000513600000000, 0.0000109400000000, -0.0028966400000000 ] - [ 0.0030144100000000, -0.0011141800000000, 0.0070169700000000 ] - [ 0.0000351500000000, 0.0000390100000000, -0.0028966400000000 ] - [ -0.0024721100000000, -0.0020534700000000, 0.0070169700000000 ] - [ 0.0000162000000000, -0.0000499400000000, -0.0028966400000000 ] - [ -0.0005423000000000, 0.0031676400000000, 0.0070169700000000 ] - [ 0.0010792400000000, -0.0012412000000000, -0.0036094700000000 ] - [ -0.0323777500000000, 0.0370963700000000, 0.0569029300000000 ] - [ 0.0003648600000000, 0.0005440600000000, -0.0026860400000000 ] - [ -0.0015238200000000, 0.0026233900000000, 0.0034032000000000 ] - [ -0.0006536000000000, 0.0000439500000000, -0.0026860400000000 ] - [ -0.0015100100000000, -0.0026313600000000, 0.0034032000000000 ] - [ 0.0002887400000000, -0.0005880100000000, -0.0026860400000000 ] - [ 0.0030338300000000, 0.0000079700000000, 0.0034032000000000 ] - [ 0.0005352900000000, 0.0015552500000000, -0.0036094700000000 ] - [ -0.0159375300000000, -0.0465881400000000, 0.0569029300000000 ] - [ -0.0016145300000000, -0.0003140500000000, -0.0036094700000000 ] - [ 0.0483152700000000, 0.0094917600000000, 0.0569029300000000 ] - [ 0.0030784300000000, -0.0010782100000000, 0.0071858100000000 ] - [ 0.0000054600000000, 0.0000475700000000, -0.0027871400000000 ] - [ -0.0024729700000000, -0.0021268900000000, 0.0071858100000000 ] - [ 0.0000384700000000, -0.0000285200000000, -0.0027871400000000 ] - [ -0.0006054600000000, 0.0032051000000000, 0.0071858100000000 ] - [ -0.0000439300000000, -0.0000190600000000, -0.0027871400000000 ] - [ 0.0038837100000000, 0.0018929400000000, 0.0017277700000000 ] - [ -0.0003118200000000, -0.0001221600000000, -0.0029131700000000 ] - [ -0.0003025300000000, -0.0043098600000000, 0.0017277700000000 ] - [ 0.0000501200000000, 0.0003311300000000, -0.0029131700000000 ] - [ -0.0035811900000000, 0.0024169300000000, 0.0017277700000000 ] - [ 0.0002617100000000, -0.0002089700000000, -0.0029131700000000 ] - [ 0.0034170500000000, -0.0002878100000000, 0.0031746100000000 ] - [ 0.0006874200000000, -0.0008837400000000, -0.0029591600000000 ] - [ -0.0165859700000000, -0.0486770300000000, 0.0574316000000000 ] - [ 0.0004997900000000, 0.0010277200000000, -0.0032512100000000 ] - [ 0.0504485300000000, 0.0099746400000000, 0.0574316000000000 ] - [ -0.0011399200000000, -0.0000810300000000, -0.0032512100000000 ] - [ -0.0338625600000000, 0.0387023900000000, 0.0574316000000000 ] - [ 0.0006401400000000, -0.0009466900000000, -0.0032512100000000 ] - [ -0.0014592800000000, 0.0031031600000000, 0.0031746100000000 ] - [ 0.0004216300000000, 0.0010372000000000, -0.0029591600000000 ] - [ -0.0019577700000000, -0.0028153500000000, 0.0031746100000000 ] - [ -0.0011090500000000, -0.0001534600000000, -0.0029591600000000 ] - [ -0.0014804100000000, 0.0002424000000000, 0.0066674200000000 ] - [ 0.0120765400000000, 0.0015660400000000, 0.0162611900000000 ] - [ 0.0009501300000000, 0.0011608700000000, 0.0066674200000000 ] - [ -0.0046820400000000, -0.0112416100000000, 0.0162611900000000 ] - [ 0.0005302800000000, -0.0014032700000000, 0.0066674200000000 ] - [ -0.0073945000000000, 0.0096755700000000, 0.0162611900000000 ] - [ 0.0123703400000000, 0.0015681500000000, 0.0161714700000000 ] - [ -0.0013157300000000, 0.0002343700000000, 0.0065128100000000 ] - [ -0.0048271100000000, -0.0114971000000000, 0.0161714700000000 ] - [ 0.0008608400000000, 0.0010222700000000, 0.0065128100000000 ] - [ -0.0075432200000000, 0.0099289500000000, 0.0161714700000000 ] - [ 0.0004549000000000, -0.0012566400000000, 0.0065128100000000 ] - [ -0.0005851500000000, 0.0003320400000000, 0.0049152700000000 ] - [ -0.0078796400000000, -0.0003158100000000, -0.0196161900000000 ] - [ 0.0005801300000000, 0.0003407300000000, 0.0049152700000000 ] - [ 0.0036663200000000, 0.0069818800000000, -0.0196161900000000 ] - [ 0.0000050200000000, -0.0006727700000000, 0.0049152700000000 ] - [ 0.0042133200000000, -0.0066660700000000, -0.0196161900000000 ] - [ -0.0007688000000000, 0.0007711500000000, 0.0041789500000000 ] - [ 0.0028421100000000, -0.0033612400000000, -0.0020181100000000 ] - [ 0.0010522300000000, 0.0002802200000000, 0.0041789500000000 ] - [ -0.0043319800000000, -0.0007807200000000, -0.0020181100000000 ] - [ -0.0002834300000000, -0.0010513700000000, 0.0041789500000000 ] - [ 0.0014898700000000, 0.0041419600000000, -0.0020181100000000 ] - [ 0.0027255400000000, -0.0033837500000000, -0.0019611700000000 ] - [ -0.0009216900000000, 0.0007737900000000, 0.0043137400000000 ] - [ -0.0042931800000000, -0.0006685100000000, -0.0019611700000000 ] - [ 0.0011309700000000, 0.0004113200000000, 0.0043137400000000 ] - [ 0.0015676400000000, 0.0040522600000000, -0.0019611700000000 ] - [ -0.0002092700000000, -0.0011851100000000, 0.0043137400000000 ] - [ -0.0076782900000000, -0.0002702400000000, -0.0198009900000000 ] - [ -0.0004320200000000, 0.0003240600000000, 0.0047524300000000 ] - [ 0.0036051100000000, 0.0067847100000000, -0.0198009900000000 ] - [ 0.0004966600000000, 0.0002121100000000, 0.0047524300000000 ] - [ 0.0040731800000000, -0.0065144700000000, -0.0198009900000000 ] - [ -0.0000646400000000, -0.0005361700000000, 0.0047524300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.3361040900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0066797700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0008645200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0052025400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0051697300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0007613900000000 ]