# Fileset [phonopy_params.yaml.xz](https://mdr.nims.go.jp/filesets/ece15bd0-bb25-4c50-a67c-018ed96e0d5b/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 NaTh2F9 / I-42m (121) / materials id 3269](https://mdr.nims.go.jp/datasets/98593e02-8bca-430c-b1a4-e0280889ec96) ## 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: "I-42m" number: 121 Hall_symbol: "I -4 2"primitive_matrix:- [ -0.500000000000000, 0.500000000000000, 0.500000000000000 ]- [ 0.500000000000000, -0.500000000000000, 0.500000000000000 ]- [ 0.500000000000000, 0.500000000000000, -0.500000000000000 ]supercell_matrix:- [ 1, 0, 0 ]- [ 0, 1, 0 ]- [ 0, 0, 2 ]primitive_cell: lattice: - [ -4.374530565000000, 4.374530565000000, 4.291273525000000 ] # a - [ 4.374530565000000, -4.374530565000000, 4.291273525000000 ] # b - [ 4.374530565000000, 4.374530565000000, -4.291273525000000 ] # c points: - symbol: F # 1 coordinates: [ 0.665837010000000, 0.242281550000000, 0.000000000000000 ] mass: 18.998403 - symbol: F # 2 coordinates: [ 0.334162990000000, 0.334162990000000, 0.576444540000000 ] mass: 18.998403 - symbol: F # 3 coordinates: [ 0.757718450000000, 0.757718450000000, 0.423555460000000 ] mass: 18.998403 - symbol: F # 4 coordinates: [ 0.242281550000000, 0.665837010000000, 0.000000000000000 ] mass: 18.998403 - symbol: F # 5 coordinates: [ 0.650408180000000, 0.001298300000000, 0.253711980000000 ] mass: 18.998403 - symbol: F # 6 coordinates: [ 0.747586320000000, 0.396696200000000, 0.746288020000000 ] mass: 18.998403 - symbol: F # 7 coordinates: [ 0.000000000000000, 0.238654480000000, 0.238654480000000 ] mass: 18.998403 - symbol: F # 8 coordinates: [ 0.238654480000000, 0.000000000000000, 0.238654480000000 ] mass: 18.998403 - symbol: F # 9 coordinates: [ 0.761345520000000, 0.000000000000000, 0.761345520000000 ] mass: 18.998403 - symbol: F # 10 coordinates: [ 0.000000000000000, 0.761345520000000, 0.761345520000000 ] mass: 18.998403 - symbol: F # 11 coordinates: [ 0.775109330000000, 0.775109330000000, 0.000000000000000 ] mass: 18.998403 - symbol: F # 12 coordinates: [ 0.224890670000000, 0.224890670000000, 0.000000000000000 ] mass: 18.998403 - symbol: F # 13 coordinates: [ 0.001298300000000, 0.650408180000000, 0.253711980000000 ] mass: 18.998403 - symbol: F # 14 coordinates: [ 0.252413680000000, 0.998701700000000, 0.649109880000000 ] mass: 18.998403 - symbol: F # 15 coordinates: [ 0.349591820000000, 0.603303800000000, 0.350890120000000 ] mass: 18.998403 - symbol: F # 16 coordinates: [ 0.396696200000000, 0.747586320000000, 0.746288020000000 ] mass: 18.998403 - symbol: F # 17 coordinates: [ 0.603303800000000, 0.349591820000000, 0.350890120000000 ] mass: 18.998403 - symbol: F # 18 coordinates: [ 0.998701700000000, 0.252413680000000, 0.649109880000000 ] mass: 18.998403 - symbol: Na # 19 coordinates: [ 0.000000000000000, 0.500000000000000, 0.500000000000000 ] mass: 22.989769 - symbol: Na # 20 coordinates: [ 0.500000000000000, 0.000000000000000, 0.500000000000000 ] mass: 22.989769 - symbol: Th # 21 coordinates: [ 0.379577290000000, 0.008817510000000, 0.000000000000000 ] mass: 232.038060 - symbol: Th # 22 coordinates: [ 0.620422710000000, 0.620422710000000, 0.629240220000000 ] mass: 232.038060 - symbol: Th # 23 coordinates: [ 0.991182490000000, 0.991182490000000, 0.370759780000000 ] mass: 232.038060 - symbol: Th # 24 coordinates: [ 0.008817510000000, 0.379577290000000, 0.000000000000000 ] mass: 232.038060 reciprocal_lattice: # without 2pi - [ -0.000000000000000, 0.114297978393483, 0.116515527870016 ] # a* - [ 0.114297978393483, 0.000000000000000, 0.116515527870016 ] # b* - [ 0.114297978393483, 0.114297978393483, 0.000000000000000 ] # c*unit_cell: lattice: - [ 8.749061129999999, 0.000000000000000, 0.000000000000000 ] # a - [ 0.000000000000000, 8.749061129999999, 0.000000000000000 ] # b - [ 0.000000000000000, 0.000000000000000, 8.582547050000001 ] # c points: - symbol: F # 1 coordinates: [ 0.288222270000000, 0.711777730000000, 0.954059280000000 ] mass: 18.998403 reduced_to: 1 - symbol: F # 2 coordinates: [ 0.288222270000000, 0.288222270000000, 0.045940720000000 ] mass: 18.998403 reduced_to: 2 - symbol: F # 3 coordinates: [ 0.211777730000000, 0.211777730000000, 0.545940720000000 ] mass: 18.998403 reduced_to: 3 - symbol: F # 4 coordinates: [ 0.711777730000000, 0.288222270000000, 0.954059280000000 ] mass: 18.998403 reduced_to: 4 - symbol: F # 5 coordinates: [ 0.802301050000000, 0.451410930000000, 0.198997250000000 ] mass: 18.998403 reduced_to: 5 - symbol: F # 6 coordinates: [ 0.197698950000000, 0.548589070000000, 0.198997250000000 ] mass: 18.998403 reduced_to: 6 - symbol: F # 7 coordinates: [ 0.238654480000000, 0.000000000000000, 0.000000000000000 ] mass: 18.998403 reduced_to: 7 - symbol: F # 8 coordinates: [ 0.000000000000000, 0.238654480000000, 0.000000000000000 ] mass: 18.998403 reduced_to: 8 - symbol: F # 9 coordinates: [ 0.000000000000000, 0.761345520000000, 0.000000000000000 ] mass: 18.998403 reduced_to: 9 - symbol: F # 10 coordinates: [ 0.761345520000000, 0.000000000000000, 0.000000000000000 ] mass: 18.998403 reduced_to: 10 - symbol: F # 11 coordinates: [ 0.500000000000000, 0.500000000000000, 0.275109330000000 ] mass: 18.998403 reduced_to: 11 - symbol: F # 12 coordinates: [ 0.500000000000000, 0.500000000000000, 0.724890670000000 ] mass: 18.998403 reduced_to: 12 - symbol: F # 13 coordinates: [ 0.451410930000000, 0.802301050000000, 0.198997250000000 ] mass: 18.998403 reduced_to: 13 - symbol: F # 14 coordinates: [ 0.697698950000000, 0.951410930000000, 0.301002750000000 ] mass: 18.998403 reduced_to: 14 - symbol: F # 15 coordinates: [ 0.302301050000000, 0.048589070000000, 0.301002750000000 ] mass: 18.998403 reduced_to: 15 - symbol: F # 16 coordinates: [ 0.548589070000000, 0.197698950000000, 0.198997250000000 ] mass: 18.998403 reduced_to: 16 - symbol: F # 17 coordinates: [ 0.048589070000000, 0.302301050000000, 0.301002750000000 ] mass: 18.998403 reduced_to: 17 - symbol: F # 18 coordinates: [ 0.951410930000000, 0.697698950000000, 0.301002750000000 ] mass: 18.998403 reduced_to: 18 - symbol: F # 19 coordinates: [ 0.788222270000000, 0.211777730000000, 0.454059280000000 ] mass: 18.998403 reduced_to: 1 - symbol: F # 20 coordinates: [ 0.788222270000000, 0.788222270000000, 0.545940720000000 ] mass: 18.998403 reduced_to: 2 - symbol: F # 21 coordinates: [ 0.711777730000000, 0.711777730000000, 0.045940720000000 ] mass: 18.998403 reduced_to: 3 - symbol: F # 22 coordinates: [ 0.211777730000000, 0.788222270000000, 0.454059280000000 ] mass: 18.998403 reduced_to: 4 - symbol: F # 23 coordinates: [ 0.302301050000000, 0.951410930000000, 0.698997250000000 ] mass: 18.998403 reduced_to: 5 - symbol: F # 24 coordinates: [ 0.697698950000000, 0.048589070000000, 0.698997250000000 ] mass: 18.998403 reduced_to: 6 - symbol: F # 25 coordinates: [ 0.738654480000000, 0.500000000000000, 0.500000000000000 ] mass: 18.998403 reduced_to: 7 - symbol: F # 26 coordinates: [ 0.500000000000000, 0.738654480000000, 0.500000000000000 ] mass: 18.998403 reduced_to: 8 - symbol: F # 27 coordinates: [ 0.500000000000000, 0.261345520000000, 0.500000000000000 ] mass: 18.998403 reduced_to: 9 - symbol: F # 28 coordinates: [ 0.261345520000000, 0.500000000000000, 0.500000000000000 ] mass: 18.998403 reduced_to: 10 - symbol: F # 29 coordinates: [ 0.000000000000000, 0.000000000000000, 0.775109330000000 ] mass: 18.998403 reduced_to: 11 - symbol: F # 30 coordinates: [ 0.000000000000000, 0.000000000000000, 0.224890670000000 ] mass: 18.998403 reduced_to: 12 - symbol: F # 31 coordinates: [ 0.951410930000000, 0.302301050000000, 0.698997250000000 ] mass: 18.998403 reduced_to: 13 - symbol: F # 32 coordinates: [ 0.197698950000000, 0.451410930000000, 0.801002750000000 ] mass: 18.998403 reduced_to: 14 - symbol: F # 33 coordinates: [ 0.802301050000000, 0.548589070000000, 0.801002750000000 ] mass: 18.998403 reduced_to: 15 - symbol: F # 34 coordinates: [ 0.048589070000000, 0.697698950000000, 0.698997250000000 ] mass: 18.998403 reduced_to: 16 - symbol: F # 35 coordinates: [ 0.548589070000000, 0.802301050000000, 0.801002750000000 ] mass: 18.998403 reduced_to: 17 - symbol: F # 36 coordinates: [ 0.451410930000000, 0.197698950000000, 0.801002750000000 ] mass: 18.998403 reduced_to: 18 - symbol: Na # 37 coordinates: [ 0.500000000000000, 0.000000000000000, 0.000000000000000 ] mass: 22.989769 reduced_to: 37 - symbol: Na # 38 coordinates: [ 0.000000000000000, 0.500000000000000, 0.000000000000000 ] mass: 22.989769 reduced_to: 38 - symbol: Na # 39 coordinates: [ 0.000000000000000, 0.500000000000000, 0.500000000000000 ] mass: 22.989769 reduced_to: 37 - symbol: Na # 40 coordinates: [ 0.500000000000000, 0.000000000000000, 0.500000000000000 ] mass: 22.989769 reduced_to: 38 - symbol: Th # 41 coordinates: [ 0.314620110000000, 0.685379890000000, 0.694197400000000 ] mass: 232.038060 reduced_to: 41 - symbol: Th # 42 coordinates: [ 0.314620110000000, 0.314620110000000, 0.305802600000000 ] mass: 232.038060 reduced_to: 42 - symbol: Th # 43 coordinates: [ 0.185379890000000, 0.185379890000000, 0.805802600000000 ] mass: 232.038060 reduced_to: 43 - symbol: Th # 44 coordinates: [ 0.685379890000000, 0.314620110000000, 0.694197400000000 ] mass: 232.038060 reduced_to: 44 - symbol: Th # 45 coordinates: [ 0.814620110000000, 0.185379890000000, 0.194197400000000 ] mass: 232.038060 reduced_to: 41 - symbol: Th # 46 coordinates: [ 0.814620110000000, 0.814620110000000, 0.805802600000000 ] mass: 232.038060 reduced_to: 42 - symbol: Th # 47 coordinates: [ 0.685379890000000, 0.685379890000000, 0.305802600000000 ] mass: 232.038060 reduced_to: 43 - symbol: Th # 48 coordinates: [ 0.185379890000000, 0.814620110000000, 0.194197400000000 ] mass: 232.038060 reduced_to: 44supercell: lattice: - [ 8.749061129999999, 0.000000000000000, 0.000000000000000 ] # a - [ 0.000000000000000, 8.749061129999999, 0.000000000000000 ] # b - [ 0.000000000000000, 0.000000000000000, 17.165094100000001 ] # c points: - symbol: F # 1 coordinates: [ 0.288222270000000, 0.711777730000000, 0.477029640000000 ] mass: 18.998403 reduced_to: 1 - symbol: F # 2 coordinates: [ 0.288222270000000, 0.711777730000000, 0.977029640000000 ] mass: 18.998403 reduced_to: 1 - symbol: F # 3 coordinates: [ 0.288222270000000, 0.288222270000000, 0.022970360000000 ] mass: 18.998403 reduced_to: 3 - symbol: F # 4 coordinates: [ 0.288222270000000, 0.288222270000000, 0.522970360000000 ] mass: 18.998403 reduced_to: 3 - symbol: F # 5 coordinates: [ 0.211777730000000, 0.211777730000000, 0.272970360000000 ] mass: 18.998403 reduced_to: 5 - symbol: F # 6 coordinates: [ 0.211777730000000, 0.211777730000000, 0.772970360000000 ] mass: 18.998403 reduced_to: 5 - symbol: F # 7 coordinates: [ 0.711777730000000, 0.288222270000000, 0.477029640000000 ] mass: 18.998403 reduced_to: 7 - symbol: F # 8 coordinates: [ 0.711777730000000, 0.288222270000000, 0.977029640000000 ] mass: 18.998403 reduced_to: 7 - symbol: F # 9 coordinates: [ 0.802301050000000, 0.451410930000000, 0.099498625000000 ] mass: 18.998403 reduced_to: 9 - symbol: F # 10 coordinates: [ 0.802301050000000, 0.451410930000000, 0.599498625000000 ] mass: 18.998403 reduced_to: 9 - symbol: F # 11 coordinates: [ 0.197698950000000, 0.548589070000000, 0.099498625000000 ] mass: 18.998403 reduced_to: 11 - symbol: F # 12 coordinates: [ 0.197698950000000, 0.548589070000000, 0.599498625000000 ] mass: 18.998403 reduced_to: 11 - symbol: F # 13 coordinates: [ 0.238654480000000, 0.000000000000000, 0.000000000000000 ] mass: 18.998403 reduced_to: 13 - symbol: F # 14 coordinates: [ 0.238654480000000, 0.000000000000000, 0.500000000000000 ] mass: 18.998403 reduced_to: 13 - symbol: F # 15 coordinates: [ 0.000000000000000, 0.238654480000000, 0.000000000000000 ] mass: 18.998403 reduced_to: 15 - symbol: F # 16 coordinates: [ 0.000000000000000, 0.238654480000000, 0.500000000000000 ] mass: 18.998403 reduced_to: 15 - symbol: F # 17 coordinates: [ 0.000000000000000, 0.761345520000000, 0.000000000000000 ] mass: 18.998403 reduced_to: 17 - symbol: F # 18 coordinates: [ 0.000000000000000, 0.761345520000000, 0.500000000000000 ] mass: 18.998403 reduced_to: 17 - symbol: F # 19 coordinates: [ 0.761345520000000, 0.000000000000000, 0.000000000000000 ] mass: 18.998403 reduced_to: 19 - symbol: F # 20 coordinates: [ 0.761345520000000, 0.000000000000000, 0.500000000000000 ] mass: 18.998403 reduced_to: 19 - symbol: F # 21 coordinates: [ 0.500000000000000, 0.500000000000000, 0.137554665000000 ] mass: 18.998403 reduced_to: 21 - symbol: F # 22 coordinates: [ 0.500000000000000, 0.500000000000000, 0.637554665000000 ] mass: 18.998403 reduced_to: 21 - symbol: F # 23 coordinates: [ 0.500000000000000, 0.500000000000000, 0.362445335000000 ] mass: 18.998403 reduced_to: 23 - symbol: F # 24 coordinates: [ 0.500000000000000, 0.500000000000000, 0.862445335000000 ] mass: 18.998403 reduced_to: 23 - symbol: F # 25 coordinates: [ 0.451410930000000, 0.802301050000000, 0.099498625000000 ] mass: 18.998403 reduced_to: 25 - symbol: F # 26 coordinates: [ 0.451410930000000, 0.802301050000000, 0.599498625000000 ] mass: 18.998403 reduced_to: 25 - symbol: F # 27 coordinates: [ 0.697698950000000, 0.951410930000000, 0.150501375000000 ] mass: 18.998403 reduced_to: 27 - symbol: F # 28 coordinates: [ 0.697698950000000, 0.951410930000000, 0.650501375000000 ] mass: 18.998403 reduced_to: 27 - symbol: F # 29 coordinates: [ 0.302301050000000, 0.048589070000000, 0.150501375000000 ] mass: 18.998403 reduced_to: 29 - symbol: F # 30 coordinates: [ 0.302301050000000, 0.048589070000000, 0.650501375000000 ] mass: 18.998403 reduced_to: 29 - symbol: F # 31 coordinates: [ 0.548589070000000, 0.197698950000000, 0.099498625000000 ] mass: 18.998403 reduced_to: 31 - symbol: F # 32 coordinates: [ 0.548589070000000, 0.197698950000000, 0.599498625000000 ] mass: 18.998403 reduced_to: 31 - symbol: F # 33 coordinates: [ 0.048589070000000, 0.302301050000000, 0.150501375000000 ] mass: 18.998403 reduced_to: 33 - symbol: F # 34 coordinates: [ 0.048589070000000, 0.302301050000000, 0.650501375000000 ] mass: 18.998403 reduced_to: 33 - symbol: F # 35 coordinates: [ 0.951410930000000, 0.697698950000000, 0.150501375000000 ] mass: 18.998403 reduced_to: 35 - symbol: F # 36 coordinates: [ 0.951410930000000, 0.697698950000000, 0.650501375000000 ] mass: 18.998403 reduced_to: 35 - symbol: F # 37 coordinates: [ 0.788222270000000, 0.211777730000000, 0.227029640000000 ] mass: 18.998403 reduced_to: 1 - symbol: F # 38 coordinates: [ 0.788222270000000, 0.211777730000000, 0.727029640000000 ] mass: 18.998403 reduced_to: 1 - symbol: F # 39 coordinates: [ 0.788222270000000, 0.788222270000000, 0.272970360000000 ] mass: 18.998403 reduced_to: 3 - symbol: F # 40 coordinates: [ 0.788222270000000, 0.788222270000000, 0.772970360000000 ] mass: 18.998403 reduced_to: 3 - symbol: F # 41 coordinates: [ 0.711777730000000, 0.711777730000000, 0.022970360000000 ] mass: 18.998403 reduced_to: 5 - symbol: F # 42 coordinates: [ 0.711777730000000, 0.711777730000000, 0.522970360000000 ] mass: 18.998403 reduced_to: 5 - symbol: F # 43 coordinates: [ 0.211777730000000, 0.788222270000000, 0.227029640000000 ] mass: 18.998403 reduced_to: 7 - symbol: F # 44 coordinates: [ 0.211777730000000, 0.788222270000000, 0.727029640000000 ] mass: 18.998403 reduced_to: 7 - symbol: F # 45 coordinates: [ 0.302301050000000, 0.951410930000000, 0.349498625000000 ] mass: 18.998403 reduced_to: 9 - symbol: F # 46 coordinates: [ 0.302301050000000, 0.951410930000000, 0.849498625000000 ] mass: 18.998403 reduced_to: 9 - symbol: F # 47 coordinates: [ 0.697698950000000, 0.048589070000000, 0.349498625000000 ] mass: 18.998403 reduced_to: 11 - symbol: F # 48 coordinates: [ 0.697698950000000, 0.048589070000000, 0.849498625000000 ] mass: 18.998403 reduced_to: 11 - symbol: F # 49 coordinates: [ 0.738654480000000, 0.500000000000000, 0.250000000000000 ] mass: 18.998403 reduced_to: 13 - symbol: F # 50 coordinates: [ 0.738654480000000, 0.500000000000000, 0.750000000000000 ] mass: 18.998403 reduced_to: 13 - symbol: F # 51 coordinates: [ 0.500000000000000, 0.738654480000000, 0.250000000000000 ] mass: 18.998403 reduced_to: 15 - symbol: F # 52 coordinates: [ 0.500000000000000, 0.738654480000000, 0.750000000000000 ] mass: 18.998403 reduced_to: 15 - symbol: F # 53 coordinates: [ 0.500000000000000, 0.261345520000000, 0.250000000000000 ] mass: 18.998403 reduced_to: 17 - symbol: F # 54 coordinates: [ 0.500000000000000, 0.261345520000000, 0.750000000000000 ] mass: 18.998403 reduced_to: 17 - symbol: F # 55 coordinates: [ 0.261345520000000, 0.500000000000000, 0.250000000000000 ] mass: 18.998403 reduced_to: 19 - symbol: F # 56 coordinates: [ 0.261345520000000, 0.500000000000000, 0.750000000000000 ] mass: 18.998403 reduced_to: 19 - symbol: F # 57 coordinates: [ 0.000000000000000, 0.000000000000000, 0.387554665000000 ] mass: 18.998403 reduced_to: 21 - symbol: F # 58 coordinates: [ 0.000000000000000, 0.000000000000000, 0.887554665000000 ] mass: 18.998403 reduced_to: 21 - symbol: F # 59 coordinates: [ 0.000000000000000, 0.000000000000000, 0.112445335000000 ] mass: 18.998403 reduced_to: 23 - symbol: F # 60 coordinates: [ 0.000000000000000, 0.000000000000000, 0.612445335000000 ] mass: 18.998403 reduced_to: 23 - symbol: F # 61 coordinates: [ 0.951410930000000, 0.302301050000000, 0.349498625000000 ] mass: 18.998403 reduced_to: 25 - symbol: F # 62 coordinates: [ 0.951410930000000, 0.302301050000000, 0.849498625000000 ] mass: 18.998403 reduced_to: 25 - symbol: F # 63 coordinates: [ 0.197698950000000, 0.451410930000000, 0.400501375000000 ] mass: 18.998403 reduced_to: 27 - symbol: F # 64 coordinates: [ 0.197698950000000, 0.451410930000000, 0.900501375000000 ] mass: 18.998403 reduced_to: 27 - symbol: F # 65 coordinates: [ 0.802301050000000, 0.548589070000000, 0.400501375000000 ] mass: 18.998403 reduced_to: 29 - symbol: F # 66 coordinates: [ 0.802301050000000, 0.548589070000000, 0.900501375000000 ] mass: 18.998403 reduced_to: 29 - symbol: F # 67 coordinates: [ 0.048589070000000, 0.697698950000000, 0.349498625000000 ] mass: 18.998403 reduced_to: 31 - symbol: F # 68 coordinates: [ 0.048589070000000, 0.697698950000000, 0.849498625000000 ] mass: 18.998403 reduced_to: 31 - symbol: F # 69 coordinates: [ 0.548589070000000, 0.802301050000000, 0.400501375000000 ] mass: 18.998403 reduced_to: 33 - symbol: F # 70 coordinates: [ 0.548589070000000, 0.802301050000000, 0.900501375000000 ] mass: 18.998403 reduced_to: 33 - symbol: F # 71 coordinates: [ 0.451410930000000, 0.197698950000000, 0.400501375000000 ] mass: 18.998403 reduced_to: 35 - symbol: F # 72 coordinates: [ 0.451410930000000, 0.197698950000000, 0.900501375000000 ] mass: 18.998403 reduced_to: 35 - symbol: Na # 73 coordinates: [ 0.500000000000000, 0.000000000000000, 0.000000000000000 ] mass: 22.989769 reduced_to: 73 - symbol: Na # 74 coordinates: [ 0.500000000000000, 0.000000000000000, 0.500000000000000 ] mass: 22.989769 reduced_to: 73 - symbol: Na # 75 coordinates: [ 0.000000000000000, 0.500000000000000, 0.000000000000000 ] mass: 22.989769 reduced_to: 75 - symbol: Na # 76 coordinates: [ 0.000000000000000, 0.500000000000000, 0.500000000000000 ] mass: 22.989769 reduced_to: 75 - symbol: Na # 77 coordinates: [ 0.000000000000000, 0.500000000000000, 0.250000000000000 ] mass: 22.989769 reduced_to: 73 - symbol: Na # 78 coordinates: [ 0.000000000000000, 0.500000000000000, 0.750000000000000 ] mass: 22.989769 reduced_to: 73 - symbol: Na # 79 coordinates: [ 0.500000000000000, 0.000000000000000, 0.250000000000000 ] mass: 22.989769 reduced_to: 75 - symbol: Na # 80 coordinates: [ 0.500000000000000, 0.000000000000000, 0.750000000000000 ] mass: 22.989769 reduced_to: 75 - symbol: Th # 81 coordinates: [ 0.314620110000000, 0.685379890000000, 0.347098700000000 ] mass: 232.038060 reduced_to: 81 - symbol: Th # 82 coordinates: [ 0.314620110000000, 0.685379890000000, 0.847098700000000 ] mass: 232.038060 reduced_to: 81 - symbol: Th # 83 coordinates: [ 0.314620110000000, 0.314620110000000, 0.152901300000000 ] mass: 232.038060 reduced_to: 83 - symbol: Th # 84 coordinates: [ 0.314620110000000, 0.314620110000000, 0.652901300000000 ] mass: 232.038060 reduced_to: 83 - symbol: Th # 85 coordinates: [ 0.185379890000000, 0.185379890000000, 0.402901300000000 ] mass: 232.038060 reduced_to: 85 - symbol: Th # 86 coordinates: [ 0.185379890000000, 0.185379890000000, 0.902901300000000 ] mass: 232.038060 reduced_to: 85 - symbol: Th # 87 coordinates: [ 0.685379890000000, 0.314620110000000, 0.347098700000000 ] mass: 232.038060 reduced_to: 87 - symbol: Th # 88 coordinates: [ 0.685379890000000, 0.314620110000000, 0.847098700000000 ] mass: 232.038060 reduced_to: 87 - symbol: Th # 89 coordinates: [ 0.814620110000000, 0.185379890000000, 0.097098700000000 ] mass: 232.038060 reduced_to: 81 - symbol: Th # 90 coordinates: [ 0.814620110000000, 0.185379890000000, 0.597098700000000 ] mass: 232.038060 reduced_to: 81 - symbol: Th # 91 coordinates: [ 0.814620110000000, 0.814620110000000, 0.402901300000000 ] mass: 232.038060 reduced_to: 83 - symbol: Th # 92 coordinates: [ 0.814620110000000, 0.814620110000000, 0.902901300000000 ] mass: 232.038060 reduced_to: 83 - symbol: Th # 93 coordinates: [ 0.685379890000000, 0.685379890000000, 0.152901300000000 ] mass: 232.038060 reduced_to: 85 - symbol: Th # 94 coordinates: [ 0.685379890000000, 0.685379890000000, 0.652901300000000 ] mass: 232.038060 reduced_to: 85 - symbol: Th # 95 coordinates: [ 0.185379890000000, 0.814620110000000, 0.097098700000000 ] mass: 232.038060 reduced_to: 87 - symbol: Th # 96 coordinates: [ 0.185379890000000, 0.814620110000000, 0.597098700000000 ] mass: 232.038060 reduced_to: 87displacements:- atom: 1 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0342806100000000, 0.0040667600000000, 0.0148494200000000 ] - [ -0.0002636100000000, 0.0002603500000000, -0.0004641400000000 ] - [ -0.0005066700000000, -0.0004928900000000, -0.0008685300000000 ] - [ -0.0006535500000000, -0.0005216300000000, 0.0004142600000000 ] - [ 0.0002112600000000, 0.0003630700000000, 0.0001771100000000 ] - [ 0.0004590800000000, 0.0004295900000000, -0.0008046700000000 ] - [ 0.0007943900000000, -0.0006597800000000, 0.0011948500000000 ] - [ 0.0003281600000000, -0.0003234600000000, -0.0001781100000000 ] - [ 0.0002154500000000, -0.0003798500000000, -0.0000922500000000 ] - [ 0.0005427000000000, -0.0002750100000000, 0.0001048900000000 ] - [ -0.0002231000000000, 0.0002729100000000, -0.0001753900000000 ] - [ -0.0013018200000000, 0.0042064200000000, -0.0034876400000000 ] - [ 0.0005245700000000, 0.0002412500000000, -0.0004269600000000 ] - [ -0.0018708400000000, -0.0039950700000000, 0.0014132500000000 ] - [ 0.0001713600000000, 0.0005151600000000, -0.0003298600000000 ] - [ -0.0000943800000000, 0.0005429600000000, 0.0004596000000000 ] - [ -0.0002277100000000, -0.0005343400000000, -0.0004106100000000 ] - [ 0.0174463900000000, -0.0044041800000000, -0.0001871900000000 ] - [ -0.0005085600000000, -0.0001565900000000, -0.0003183000000000 ] - [ 0.0002638600000000, 0.0001658500000000, 0.0005943200000000 ] - [ 0.0000449200000000, -0.0000526300000000, -0.0007457700000000 ] - [ -0.0003321300000000, -0.0004250400000000, -0.0001139300000000 ] - [ 0.0016694200000000, -0.0021557800000000, -0.0006252000000000 ] - [ -0.0001361800000000, 0.0001000200000000, 0.0004843100000000 ] - [ -0.0002820200000000, 0.0002115500000000, -0.0001935300000000 ] - [ 0.0000421800000000, 0.0022758600000000, 0.0070625100000000 ] - [ -0.0000635800000000, -0.0001275000000000, -0.0002096500000000 ] - [ 0.0002510300000000, -0.0000379700000000, -0.0000158700000000 ] - [ 0.0001191700000000, 0.0002973300000000, -0.0002104500000000 ] - [ -0.0009368300000000, -0.0013217400000000, -0.0004261800000000 ] - [ 0.0003962600000000, -0.0002032800000000, -0.0001047100000000 ] - [ 0.0001822200000000, -0.0001139100000000, 0.0003305900000000 ] - [ 0.0001107800000000, 0.0000977700000000, -0.0001627200000000 ] - [ 0.0004117300000000, 0.0002857600000000, -0.0000999000000000 ] - [ -0.0002560100000000, -0.0001628900000000, -0.0001485000000000 ] - [ 0.0016496900000000, 0.0004123300000000, -0.0007395400000000 ] - [ -0.0002876600000000, 0.0003504300000000, 0.0000355800000000 ] - [ -0.0002881800000000, 0.0003506000000000, 0.0000832000000000 ] - [ 0.0000631600000000, -0.0003645600000000, 0.0000843900000000 ] - [ -0.0002822000000000, -0.0004293100000000, -0.0005854200000000 ] - [ 0.0004968000000000, 0.0004926500000000, -0.0008388300000000 ] - [ 0.0021268200000000, 0.0005189800000000, 0.0004916400000000 ] - [ -0.0005880200000000, 0.0005185700000000, -0.0022628900000000 ] - [ -0.0005970700000000, 0.0005242100000000, -0.0035066200000000 ] - [ -0.0010857400000000, 0.0018555000000000, 0.0002079300000000 ] - [ 0.0001451600000000, -0.0004500500000000, -0.0002237100000000 ] - [ 0.0003558100000000, 0.0004532800000000, 0.0001604100000000 ] - [ -0.0001809600000000, 0.0003059100000000, -0.0000638500000000 ] - [ 0.0007418900000000, 0.0000013800000000, -0.0001160000000000 ] - [ 0.0006404900000000, 0.0000121000000000, -0.0000643000000000 ] - [ 0.0006828300000000, 0.0005059600000000, -0.0007387700000000 ] - [ -0.0002238500000000, 0.0004744800000000, 0.0002818700000000 ] - [ -0.0000197900000000, -0.0006247900000000, -0.0001580700000000 ] - [ -0.0002416900000000, -0.0005522100000000, -0.0002391000000000 ] - [ -0.0008954400000000, -0.0017525600000000, -0.0015985100000000 ] - [ -0.0007233800000000, 0.0000529400000000, -0.0004262400000000 ] - [ 0.0002077100000000, -0.0002481500000000, -0.0001000700000000 ] - [ 0.0000366500000000, -0.0000026000000000, -0.0007239100000000 ] - [ -0.0000923900000000, 0.0000913700000000, 0.0004797400000000 ] - [ 0.0020627600000000, -0.0020872300000000, 0.0007188600000000 ] - [ 0.0002006700000000, 0.0000809500000000, 0.0002845100000000 ] - [ -0.0002584000000000, 0.0001942800000000, -0.0000903300000000 ] - [ -0.0016014700000000, 0.0013119900000000, 0.0021920400000000 ] - [ -0.0001091600000000, -0.0001209000000000, -0.0002739700000000 ] - [ 0.0010059600000000, 0.0005364200000000, 0.0003544900000000 ] - [ 0.0001572300000000, 0.0002116300000000, -0.0002114700000000 ] - [ -0.0003127800000000, 0.0000995100000000, 0.0028741300000000 ] - [ 0.0004669600000000, -0.0001885500000000, -0.0002590600000000 ] - [ 0.0104908300000000, 0.0031720600000000, -0.0049096400000000 ] - [ 0.0001122400000000, 0.0001068800000000, -0.0002252300000000 ] - [ -0.0007570100000000, -0.0001879700000000, 0.0001574000000000 ] - [ -0.0002397200000000, -0.0001461200000000, -0.0002189100000000 ] - [ -0.0000026900000000, -0.0000086000000000, 0.0002485900000000 ] - [ -0.0004533000000000, -0.0021485400000000, -0.0009896600000000 ] - [ 0.0000006500000000, 0.0000068600000000, 0.0002459400000000 ] - [ -0.0015136500000000, -0.0019479000000000, -0.0001683900000000 ] - [ 0.0001200800000000, -0.0000347600000000, -0.0001858500000000 ] - [ -0.0001761300000000, -0.0001798400000000, 0.0003599800000000 ] - [ -0.0000791700000000, -0.0003166300000000, 0.0003574500000000 ] - [ 0.0001812900000000, -0.0000683000000000, 0.0000361900000000 ] - [ 0.0085436400000000, -0.0000306900000000, -0.0001705500000000 ] - [ 0.0011467200000000, -0.0007136600000000, 0.0017656900000000 ] - [ 0.0006107000000000, 0.0010168900000000, 0.0011840800000000 ] - [ 0.0022001400000000, 0.0003152100000000, 0.0000025500000000 ] - [ 0.0010209000000000, -0.0001905500000000, -0.0026226400000000 ] - [ -0.0004877200000000, -0.0004426900000000, 0.0013858700000000 ] - [ -0.0025145800000000, 0.0016261800000000, -0.0004690100000000 ] - [ -0.0004191900000000, 0.0004314100000000, 0.0007420000000000 ] - [ 0.0003888600000000, -0.0004743500000000, 0.0008005000000000 ] - [ -0.0013862800000000, 0.0003285300000000, -0.0009958500000000 ] - [ -0.0094145300000000, 0.0010354000000000, -0.0045521500000000 ] - [ 0.0003193500000000, 0.0005004400000000, 0.0012289200000000 ] - [ -0.0011900000000000, -0.0004364700000000, 0.0013168800000000 ] - [ -0.0036070800000000, -0.0001799500000000, -0.0014348700000000 ] - [ -0.0001837700000000, 0.0002860800000000, 0.0017577700000000 ] - [ 0.0117897000000000, -0.0018425700000000, -0.0059602500000000 ]- atom: 1 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0338025600000000, -0.0035036200000000, -0.0148254200000000 ] - [ -0.0005432200000000, 0.0005458200000000, 0.0010444400000000 ] - [ -0.0002984000000000, -0.0003115900000000, 0.0002991100000000 ] - [ -0.0001553600000000, -0.0002859300000000, -0.0009973000000000 ] - [ 0.0005939200000000, 0.0004427900000000, -0.0007520700000000 ] - [ 0.0003437400000000, 0.0003741600000000, 0.0002368800000000 ] - [ 0.0000093800000000, -0.0001448300000000, -0.0006253900000000 ] - [ 0.0004767100000000, -0.0004819700000000, 0.0007561000000000 ] - [ 0.0001079000000000, -0.0001358800000000, 0.0002160100000000 ] - [ -0.0002181500000000, -0.0002463100000000, 0.0000197100000000 ] - [ -0.0001001200000000, 0.0002433600000000, 0.0003015000000000 ] - [ 0.0010028700000000, -0.0036974900000000, 0.0036181000000000 ] - [ 0.0005135900000000, -0.0002432100000000, 0.0004312700000000 ] - [ 0.0029390600000000, 0.0039543400000000, -0.0014258100000000 ] - [ -0.0001722500000000, 0.0005240900000000, 0.0003324000000000 ] - [ 0.0001004300000000, 0.0004955700000000, -0.0004643900000000 ] - [ 0.0002299400000000, -0.0005033400000000, 0.0004139200000000 ] - [ -0.0179024300000000, 0.0034769000000000, 0.0002533800000000 ] - [ -0.0005299900000000, 0.0001578100000000, 0.0003199500000000 ] - [ -0.0013037500000000, -0.0001561500000000, -0.0005913800000000 ] - [ -0.0000477700000000, 0.0000524900000000, -0.0003934700000000 ] - [ 0.0003284900000000, 0.0004212100000000, -0.0010234800000000 ] - [ -0.0016879000000000, 0.0021641200000000, 0.0017480400000000 ] - [ 0.0001356300000000, -0.0000998900000000, 0.0006580300000000 ] - [ -0.0002368100000000, 0.0001124600000000, 0.0003188400000000 ] - [ -0.0005472100000000, -0.0019218900000000, -0.0068508500000000 ] - [ -0.0002625900000000, -0.0003902300000000, 0.0000863900000000 ] - [ -0.0005751400000000, -0.0004751000000000, -0.0001047000000000 ] - [ 0.0002040000000000, 0.0002193800000000, 0.0000882600000000 ] - [ 0.0012608000000000, 0.0018458400000000, 0.0003036100000000 ] - [ 0.0001168400000000, -0.0001194900000000, 0.0002292000000000 ] - [ 0.0003321000000000, -0.0002090700000000, -0.0002066300000000 ] - [ 0.0004087300000000, 0.0002272600000000, 0.0000403100000000 ] - [ 0.0001058500000000, 0.0000386800000000, -0.0000228100000000 ] - [ -0.0002591900000000, -0.0001614700000000, 0.0000250700000000 ] - [ -0.0021581300000000, -0.0007324600000000, 0.0006210500000000 ] - [ -0.0005173100000000, 0.0004545900000000, 0.0005356700000000 ] - [ -0.0005179300000000, 0.0004550500000000, 0.0004958800000000 ] - [ -0.0008728600000000, -0.0004443300000000, -0.0006789900000000 ] - [ -0.0005218700000000, -0.0003742400000000, 0.0000184900000000 ] - [ 0.0003064200000000, 0.0003111600000000, 0.0002694500000000 ] - [ -0.0013268400000000, 0.0002827600000000, -0.0010540200000000 ] - [ 0.0014060400000000, -0.0013344100000000, 0.0028641400000000 ] - [ 0.0013971800000000, -0.0013288700000000, 0.0040851900000000 ] - [ 0.0014079300000000, -0.0024027100000000, -0.0000816300000000 ] - [ 0.0001780300000000, -0.0000659500000000, 0.0003490100000000 ] - [ -0.0006819900000000, 0.0000757300000000, -0.0000424200000000 ] - [ -0.0001434600000000, 0.0002099500000000, 0.0001890400000000 ] - [ 0.0002953100000000, 0.0000005600000000, 0.0001122400000000 ] - [ 0.0003981600000000, -0.0000160300000000, 0.0000708500000000 ] - [ -0.0007234600000000, 0.0005211900000000, 0.0007698500000000 ] - [ 0.0002187700000000, 0.0005638600000000, -0.0002736900000000 ] - [ 0.0000141900000000, -0.0004125000000000, 0.0001527900000000 ] - [ 0.0002423700000000, -0.0004855100000000, 0.0002417900000000 ] - [ -0.0001322900000000, 0.0017822600000000, 0.0016233900000000 ] - [ -0.0003153600000000, -0.0000511000000000, 0.0004290700000000 ] - [ -0.0001933600000000, 0.0002617100000000, -0.0010443300000000 ] - [ -0.0000361000000000, 0.0000037900000000, -0.0004155400000000 ] - [ 0.0000943200000000, -0.0000926900000000, 0.0006616500000000 ] - [ -0.0020536100000000, 0.0020797500000000, 0.0004254500000000 ] - [ -0.0007129100000000, 0.0002437900000000, -0.0001625200000000 ] - [ -0.0002576200000000, 0.0001300200000000, 0.0002151700000000 ] - [ 0.0013032500000000, -0.0018048000000000, -0.0023192700000000 ] - [ -0.0002161000000000, -0.0003969800000000, 0.0001529900000000 ] - [ -0.0006838400000000, -0.0000310200000000, -0.0004843300000000 ] - [ 0.0001662900000000, 0.0003057100000000, 0.0000901600000000 ] - [ 0.0008429500000000, -0.0004314400000000, -0.0027983100000000 ] - [ 0.0000486500000000, -0.0001350200000000, 0.0003844100000000 ] - [ -0.0098350100000000, -0.0027889900000000, 0.0046560500000000 ] - [ 0.0004043300000000, 0.0002173600000000, 0.0001040400000000 ] - [ 0.0002340000000000, -0.0001368100000000, -0.0002823500000000 ] - [ -0.0002791800000000, -0.0001784800000000, 0.0000978600000000 ] - [ 0.0000024100000000, 0.0000090800000000, -0.0002505400000000 ] - [ 0.0004608500000000, 0.0021390300000000, 0.0009906800000000 ] - [ -0.0000017500000000, -0.0000072300000000, -0.0002478400000000 ] - [ 0.0015088100000000, 0.0019606100000000, 0.0001711700000000 ] - [ -0.0001263900000000, 0.0000356100000000, 0.0001876200000000 ] - [ 0.0001748000000000, 0.0001803000000000, -0.0003615400000000 ] - [ 0.0000839900000000, 0.0003186400000000, -0.0003552000000000 ] - [ -0.0001812500000000, 0.0000674900000000, -0.0000388100000000 ] - [ -0.0076704200000000, -0.0008506600000000, 0.0003582400000000 ] - [ -0.0002222100000000, -0.0002084700000000, -0.0019400300000000 ] - [ 0.0003142300000000, -0.0001042500000000, -0.0010346000000000 ] - [ -0.0012732800000000, 0.0006109400000000, 0.0001630400000000 ] - [ -0.0019594000000000, -0.0007325500000000, 0.0027955100000000 ] - [ -0.0004353400000000, -0.0004792600000000, -0.0012335600000000 ] - [ 0.0016000700000000, -0.0007055600000000, 0.0003231200000000 ] - [ -0.0005034100000000, 0.0004913800000000, -0.0009153700000000 ] - [ 0.0005307800000000, -0.0004472000000000, -0.0009669700000000 ] - [ 0.0023019100000000, -0.0012565400000000, 0.0008290900000000 ] - [ 0.0103308100000000, -0.0001285500000000, 0.0047760800000000 ] - [ 0.0006007600000000, 0.0004216000000000, -0.0010777100000000 ] - [ 0.0002817600000000, -0.0004854700000000, -0.0011560600000000 ] - [ 0.0026808300000000, -0.0007364800000000, 0.0015666000000000 ] - [ -0.0007433900000000, 0.0006391300000000, -0.0019415400000000 ] - [ -0.0127063400000000, 0.0028046500000000, 0.0059234600000000 ]- atom: 1 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0143879200000000, -0.0143879200000000, -0.1092572100000000 ] - [ -0.0011601200000000, 0.0011601200000000, 0.0045101500000000 ] - [ 0.0001773200000000, 0.0001471700000000, 0.0031061400000000 ] - [ -0.0011119300000000, -0.0011781000000000, -0.0053672600000000 ] - [ 0.0008676100000000, 0.0007843800000000, -0.0015941000000000 ] - [ -0.0001129500000000, 0.0001060500000000, 0.0026294600000000 ] - [ -0.0005042900000000, 0.0005042900000000, -0.0044547800000000 ] - [ 0.0008734600000000, -0.0008734600000000, 0.0031777800000000 ] - [ -0.0000933100000000, 0.0005531100000000, 0.0009692600000000 ] - [ 0.0001005900000000, -0.0012285900000000, -0.0008339800000000 ] - [ 0.0001345400000000, 0.0001338300000000, 0.0015095600000000 ] - [ -0.0030061400000000, -0.0122758700000000, 0.0092809100000000 ] - [ 0.0004671600000000, -0.0013809700000000, 0.0024501100000000 ] - [ 0.0000528100000000, 0.0107665500000000, -0.0098235600000000 ] - [ -0.0009410400000000, 0.0005445100000000, 0.0019210600000000 ] - [ 0.0015181900000000, 0.0008279200000000, -0.0034559500000000 ] - [ 0.0013809700000000, -0.0004671600000000, 0.0024501100000000 ] - [ -0.0107665500000000, -0.0000528100000000, -0.0098235600000000 ] - [ -0.0005445100000000, 0.0009410400000000, 0.0019210600000000 ] - [ -0.0008279200000000, -0.0015181900000000, -0.0034559500000000 ] - [ -0.0003171800000000, 0.0003171800000000, 0.0003416700000000 ] - [ 0.0008634700000000, -0.0008634700000000, -0.0001459500000000 ] - [ -0.0081718500000000, 0.0081718500000000, -0.0005800200000000 ] - [ 0.0004638000000000, -0.0004638000000000, 0.0012963700000000 ] - [ -0.0001338300000000, -0.0001345400000000, 0.0015095600000000 ] - [ 0.0122758700000000, 0.0030061400000000, 0.0092809100000000 ] - [ -0.0006360200000000, -0.0011526800000000, 0.0007511000000000 ] - [ 0.0005304500000000, 0.0008466700000000, -0.0001591100000000 ] - [ 0.0002740000000000, 0.0001087000000000, 0.0008244400000000 ] - [ 0.0021174100000000, 0.0054109500000000, 0.0011476500000000 ] - [ -0.0005531100000000, 0.0000933100000000, 0.0009692600000000 ] - [ 0.0012285900000000, -0.0001005900000000, -0.0008339800000000 ] - [ 0.0011526800000000, 0.0006360200000000, 0.0007511000000000 ] - [ -0.0008466700000000, -0.0005304500000000, -0.0001591100000000 ] - [ -0.0001087000000000, -0.0002740000000000, 0.0008244400000000 ] - [ -0.0054109500000000, -0.0021174100000000, 0.0011476500000000 ] - [ -0.0006140300000000, 0.0006140300000000, 0.0011952800000000 ] - [ -0.0006564000000000, 0.0006564000000000, 0.0011825300000000 ] - [ -0.0007843800000000, -0.0008676100000000, -0.0015941000000000 ] - [ -0.0001060500000000, 0.0001129500000000, 0.0026294600000000 ] - [ -0.0001471700000000, -0.0001773200000000, 0.0031061400000000 ] - [ 0.0011781000000000, 0.0011119300000000, -0.0053672600000000 ] - [ 0.0041837600000000, -0.0041837600000000, 0.0111445000000000 ] - [ 0.0029821700000000, -0.0029821700000000, 0.0112187700000000 ] - [ 0.0014097300000000, -0.0117813100000000, -0.0008419600000000 ] - [ -0.0000199700000000, 0.0006817600000000, 0.0015199700000000 ] - [ -0.0008109900000000, 0.0003492500000000, -0.0007648200000000 ] - [ 0.0000638700000000, -0.0000076600000000, 0.0009391600000000 ] - [ 0.0001514300000000, 0.0004648200000000, 0.0000386400000000 ] - [ 0.0005017400000000, -0.0011475500000000, 0.0016064500000000 ] - [ -0.0089467300000000, -0.0016049400000000, 0.0083114100000000 ] - [ -0.0000644100000000, 0.0001582100000000, 0.0020758900000000 ] - [ -0.0004648200000000, -0.0001514300000000, 0.0000386400000000 ] - [ 0.0011475500000000, -0.0005017400000000, 0.0016064500000000 ] - [ 0.0016049400000000, 0.0089467300000000, 0.0083114100000000 ] - [ -0.0001582100000000, 0.0000644100000000, 0.0020758900000000 ] - [ 0.0003793100000000, -0.0003793100000000, -0.0021506100000000 ] - [ -0.0000624000000000, 0.0000624000000000, 0.0002243300000000 ] - [ 0.0005704700000000, -0.0005704700000000, 0.0012056200000000 ] - [ -0.0072480500000000, 0.0072480500000000, -0.0005028700000000 ] - [ -0.0003492500000000, 0.0008109900000000, -0.0007648200000000 ] - [ 0.0000076600000000, -0.0000638700000000, 0.0009391600000000 ] - [ 0.0039289800000000, 0.0109896000000000, -0.0026386300000000 ] - [ -0.0004769300000000, -0.0010071000000000, 0.0011350400000000 ] - [ -0.0002040300000000, -0.0000810200000000, -0.0018133700000000 ] - [ 0.0003089800000000, 0.0005984300000000, 0.0009368700000000 ] - [ 0.0117813100000000, -0.0014097300000000, -0.0008419600000000 ] - [ -0.0006817600000000, 0.0000199700000000, 0.0015199700000000 ] - [ -0.0109896000000000, -0.0039289800000000, -0.0026386300000000 ] - [ 0.0010071000000000, 0.0004769300000000, 0.0011350400000000 ] - [ 0.0000810200000000, 0.0002040300000000, -0.0018133700000000 ] - [ -0.0005984300000000, -0.0003089800000000, 0.0009368700000000 ] - [ 0.0000590700000000, 0.0000543800000000, -0.0014754000000000 ] - [ -0.0014515500000000, -0.0011779400000000, 0.0039263100000000 ] - [ -0.0000543800000000, -0.0000590700000000, -0.0014754000000000 ] - [ 0.0011779400000000, 0.0014515500000000, 0.0039263100000000 ] - [ -0.0012925700000000, -0.0008879200000000, -0.0006503900000000 ] - [ 0.0005455900000000, 0.0006301000000000, -0.0014766800000000 ] - [ 0.0008879200000000, 0.0012925700000000, -0.0006503900000000 ] - [ -0.0006301000000000, -0.0005455900000000, -0.0014766800000000 ] - [ -0.0061156700000000, 0.0061156700000000, 0.0646038700000000 ] - [ -0.0004009200000000, 0.0004009200000000, -0.0101517000000000 ] - [ 0.0008764100000000, -0.0029279700000000, -0.0067071900000000 ] - [ -0.0017989500000000, 0.0038463400000000, -0.0010251900000000 ] - [ -0.0023530300000000, -0.0038760700000000, 0.0145147900000000 ] - [ -0.0001978500000000, -0.0004505400000000, -0.0072232600000000 ] - [ 0.0036579400000000, -0.0036579400000000, 0.0045925400000000 ] - [ -0.0010524900000000, 0.0010524900000000, -0.0057420800000000 ] - [ 0.0004020600000000, -0.0004020600000000, -0.0051784300000000 ] - [ 0.0031407500000000, -0.0031407500000000, 0.0058834700000000 ] - [ 0.0038760700000000, 0.0023530300000000, 0.0145147900000000 ] - [ 0.0004505400000000, 0.0001978500000000, -0.0072232600000000 ] - [ 0.0029279700000000, -0.0008764100000000, -0.0067071900000000 ] - [ -0.0038463400000000, 0.0017989500000000, -0.0010251900000000 ] - [ -0.0016619500000000, 0.0016619500000000, -0.0108750000000000 ] - [ 0.0013292700000000, -0.0013292700000000, 0.0109750100000000 ]- atom: 1 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ -0.0152940000000000, 0.0152940000000000, 0.1129366100000000 ] - [ 0.0003491400000000, -0.0003491400000000, -0.0039425700000000 ] - [ -0.0009908400000000, -0.0009608600000000, -0.0036903700000000 ] - [ 0.0002998700000000, 0.0003688000000000, 0.0047612300000000 ] - [ -0.0000622300000000, 0.0000211100000000, 0.0010514100000000 ] - [ 0.0009278300000000, 0.0007099400000000, -0.0032163000000000 ] - [ 0.0013151800000000, -0.0013151800000000, 0.0050352800000000 ] - [ -0.0000617800000000, 0.0000617800000000, -0.0026087800000000 ] - [ 0.0004222200000000, -0.0010718300000000, -0.0008461000000000 ] - [ 0.0002275500000000, 0.0007163600000000, 0.0009491500000000 ] - [ -0.0004639300000000, 0.0003780200000000, -0.0013908900000000 ] - [ 0.0026105600000000, 0.0125789400000000, -0.0090513400000000 ] - [ 0.0005716300000000, 0.0013863100000000, -0.0024577100000000 ] - [ 0.0010382900000000, -0.0108792800000000, 0.0097257200000000 ] - [ 0.0009411500000000, 0.0004939400000000, -0.0019247500000000 ] - [ -0.0015067900000000, 0.0002134900000000, 0.0034457200000000 ] - [ -0.0013863100000000, -0.0005716300000000, -0.0024577100000000 ] - [ 0.0108792800000000, -0.0010382900000000, 0.0097257200000000 ] - [ -0.0004939400000000, -0.0009411500000000, -0.0019247500000000 ] - [ -0.0002134900000000, 0.0015067900000000, 0.0034457200000000 ] - [ 0.0003205400000000, -0.0003205400000000, -0.0014756800000000 ] - [ -0.0008647200000000, 0.0008647200000000, -0.0010012500000000 ] - [ 0.0082448600000000, -0.0082448600000000, 0.0017597100000000 ] - [ -0.0004599500000000, 0.0004599500000000, -0.0001697200000000 ] - [ -0.0003780200000000, 0.0004639300000000, -0.0013908900000000 ] - [ -0.0125789400000000, -0.0026105600000000, -0.0090513400000000 ] - [ 0.0003105000000000, 0.0006424100000000, -0.0008770800000000 ] - [ -0.0008573800000000, -0.0013595100000000, 0.0000266100000000 ] - [ 0.0000554100000000, 0.0004116000000000, -0.0009501000000000 ] - [ -0.0017665000000000, -0.0048546800000000, -0.0012761500000000 ] - [ 0.0010718300000000, -0.0004222200000000, -0.0008461000000000 ] - [ -0.0007163600000000, -0.0002275500000000, 0.0009491500000000 ] - [ -0.0006424100000000, -0.0003105000000000, -0.0008770800000000 ] - [ 0.0013595100000000, 0.0008573800000000, 0.0000266100000000 ] - [ -0.0004116000000000, -0.0000554100000000, -0.0009501000000000 ] - [ 0.0048546800000000, 0.0017665000000000, -0.0012761500000000 ] - [ -0.0002003400000000, 0.0002003400000000, -0.0006056000000000 ] - [ -0.0001556400000000, 0.0001556400000000, -0.0006177300000000 ] - [ -0.0000211100000000, 0.0000622300000000, 0.0010514100000000 ] - [ -0.0007099400000000, -0.0009278300000000, -0.0032163000000000 ] - [ 0.0009608600000000, 0.0009908400000000, -0.0036903700000000 ] - [ -0.0003688000000000, -0.0002998700000000, 0.0047612300000000 ] - [ -0.0034102200000000, 0.0034102200000000, -0.0106565800000000 ] - [ -0.0021464900000000, 0.0021464900000000, -0.0105810500000000 ] - [ -0.0010926400000000, 0.0113892400000000, 0.0010080700000000 ] - [ 0.0003492400000000, -0.0011938800000000, -0.0013949500000000 ] - [ 0.0004840100000000, 0.0001538300000000, 0.0008990300000000 ] - [ -0.0003929500000000, 0.0005250200000000, -0.0008175900000000 ] - [ 0.0008902100000000, -0.0004750300000000, -0.0000253900000000 ] - [ 0.0005346700000000, 0.0011503900000000, -0.0016152400000000 ] - [ 0.0090436900000000, 0.0026715200000000, -0.0083886000000000 ] - [ 0.0000734300000000, 0.0008768600000000, -0.0020859100000000 ] - [ 0.0004750300000000, -0.0008902100000000, -0.0000253900000000 ] - [ -0.0011503900000000, -0.0005346700000000, -0.0016152400000000 ] - [ -0.0026715200000000, -0.0090436900000000, -0.0083886000000000 ] - [ -0.0008768600000000, -0.0000734300000000, -0.0020859100000000 ] - [ -0.0003735600000000, 0.0003735600000000, 0.0010328600000000 ] - [ 0.0000616400000000, -0.0000616400000000, -0.0013560200000000 ] - [ -0.0005760700000000, 0.0005760700000000, -0.0000776300000000 ] - [ 0.0071793400000000, -0.0071793400000000, 0.0016121900000000 ] - [ -0.0001538300000000, -0.0004840100000000, 0.0008990300000000 ] - [ -0.0005250200000000, 0.0003929500000000, -0.0008175900000000 ] - [ -0.0042801800000000, -0.0115096500000000, 0.0026144900000000 ] - [ 0.0001484300000000, 0.0004907700000000, -0.0012631100000000 ] - [ 0.0005371700000000, 0.0006050200000000, 0.0017010700000000 ] - [ 0.0000180100000000, -0.0000861800000000, -0.0010657600000000 ] - [ -0.0113892400000000, 0.0010926400000000, 0.0010080700000000 ] - [ 0.0011938800000000, -0.0003492400000000, -0.0013949500000000 ] - [ 0.0115096500000000, 0.0042801800000000, 0.0026144900000000 ] - [ -0.0004907700000000, -0.0001484300000000, -0.0012631100000000 ] - [ -0.0006050200000000, -0.0005371700000000, 0.0017010700000000 ] - [ 0.0000861800000000, -0.0000180100000000, -0.0010657600000000 ] - [ -0.0000602100000000, -0.0000557200000000, 0.0014765600000000 ] - [ 0.0014927500000000, 0.0012339300000000, -0.0039060600000000 ] - [ 0.0000557200000000, 0.0000602100000000, 0.0014765600000000 ] - [ -0.0012339300000000, -0.0014927500000000, -0.0039060600000000 ] - [ 0.0013029200000000, 0.0008941200000000, 0.0006388800000000 ] - [ -0.0005430800000000, -0.0006263900000000, 0.0014787600000000 ] - [ -0.0008941200000000, -0.0013029200000000, 0.0006388800000000 ] - [ 0.0006263900000000, 0.0005430800000000, 0.0014787600000000 ] - [ 0.0075810500000000, -0.0075810500000000, -0.0693659200000000 ] - [ 0.0013144000000000, -0.0013144000000000, 0.0099919600000000 ] - [ 0.0000437300000000, 0.0038875500000000, 0.0068689100000000 ] - [ 0.0027055700000000, -0.0029356500000000, 0.0012579800000000 ] - [ 0.0014199900000000, 0.0029579900000000, -0.0144510400000000 ] - [ -0.0007269100000000, -0.0004798900000000, 0.0073947500000000 ] - [ -0.0046013000000000, 0.0046013000000000, -0.0048055900000000 ] - [ 0.0001261100000000, -0.0001261100000000, 0.0056023200000000 ] - [ 0.0005266500000000, -0.0005266500000000, 0.0050124900000000 ] - [ -0.0021980600000000, 0.0021980600000000, -0.0059990200000000 ] - [ -0.0029579900000000, -0.0014199900000000, -0.0144510400000000 ] - [ 0.0004798900000000, 0.0007269100000000, 0.0073947500000000 ] - [ -0.0038875500000000, -0.0000437300000000, 0.0068689100000000 ] - [ 0.0029356500000000, -0.0027055700000000, 0.0012579800000000 ] - [ 0.0007472900000000, -0.0007472900000000, 0.0107566000000000 ] - [ -0.0028606700000000, 0.0028606700000000, -0.0096846100000000 ]- atom: 9 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0003497100000000, 0.0003613500000000, 0.0000311800000000 ] - [ -0.0000223100000000, 0.0004516100000000, 0.0002212100000000 ] - [ 0.0004411000000000, -0.0003805900000000, 0.0000765300000000 ] - [ -0.0004079200000000, -0.0004195700000000, -0.0004328000000000 ] - [ 0.0008162800000000, 0.0002779000000000, 0.0004120800000000 ] - [ 0.0005025700000000, 0.0004677500000000, -0.0007602800000000 ] - [ 0.0003416500000000, -0.0003536600000000, -0.0000124000000000 ] - [ -0.0007329300000000, 0.0016965700000000, 0.0031133800000000 ] - [ -0.0325669800000000, 0.0072709900000000, 0.0004143900000000 ] - [ 0.0001652500000000, -0.0002706900000000, -0.0000131800000000 ] - [ 0.0020210700000000, 0.0010230600000000, 0.0006180900000000 ] - [ -0.0001801600000000, 0.0003085300000000, -0.0000142300000000 ] - [ 0.0008576200000000, -0.0001859100000000, 0.0000840200000000 ] - [ 0.0005409600000000, -0.0000053300000000, -0.0000634400000000 ] - [ 0.0014759000000000, -0.0021733000000000, -0.0023027600000000 ] - [ -0.0000114800000000, 0.0005256400000000, -0.0000387600000000 ] - [ -0.0002343000000000, 0.0003080500000000, -0.0004070500000000 ] - [ -0.0001529100000000, -0.0005138100000000, -0.0001888600000000 ] - [ -0.0009247800000000, -0.0009927300000000, -0.0006700900000000 ] - [ -0.0005256200000000, -0.0001456100000000, -0.0002034700000000 ] - [ 0.0110749000000000, 0.0008374700000000, -0.0034252000000000 ] - [ 0.0000356800000000, 0.0000311900000000, -0.0006145800000000 ] - [ 0.0001498400000000, 0.0000474100000000, 0.0003909300000000 ] - [ 0.0001179700000000, -0.0000352400000000, 0.0006737700000000 ] - [ 0.0020175000000000, -0.0006537200000000, 0.0007476100000000 ] - [ -0.0002607800000000, 0.0001701100000000, -0.0000100000000000 ] - [ -0.0015252700000000, -0.0053486400000000, 0.0010263900000000 ] - [ -0.0001547900000000, -0.0002429300000000, -0.0001273800000000 ] - [ 0.0007735400000000, 0.0002405200000000, 0.0000465300000000 ] - [ 0.0001598600000000, 0.0002048600000000, -0.0001399500000000 ] - [ 0.0005182800000000, 0.0015565000000000, 0.0001276900000000 ] - [ 0.0003099400000000, -0.0001844100000000, -0.0000119700000000 ] - [ 0.0117147200000000, -0.0066362500000000, 0.0040995000000000 ] - [ 0.0002046900000000, 0.0001475300000000, -0.0001509100000000 ] - [ -0.0010045600000000, 0.0065871500000000, 0.0024687600000000 ] - [ -0.0002563800000000, -0.0001480200000000, -0.0001362900000000 ] - [ -0.0016465300000000, 0.0006701900000000, 0.0015184900000000 ] - [ -0.0004203600000000, 0.0003768400000000, 0.0001047300000000 ] - [ -0.0015009500000000, -0.0009747200000000, -0.0022250200000000 ] - [ -0.0004456000000000, -0.0004026400000000, -0.0003956700000000 ] - [ -0.0010382000000000, -0.0025762900000000, 0.0038108300000000 ] - [ 0.0004566300000000, 0.0004582100000000, -0.0006000700000000 ] - [ 0.0009218100000000, -0.0004839000000000, 0.0009349800000000 ] - [ 0.0003845500000000, -0.0003716600000000, 0.0000596700000000 ] - [ 0.0003073100000000, -0.0004515000000000, 0.0000355100000000 ] - [ 0.0003073100000000, -0.0004553200000000, -0.0000381300000000 ] - [ -0.0002174500000000, 0.0001918000000000, 0.0000296300000000 ] - [ -0.0002174900000000, 0.0002854300000000, 0.0000498100000000 ] - [ -0.0011271200000000, 0.0009261100000000, -0.0040138100000000 ] - [ 0.0004659900000000, 0.0000338400000000, -0.0001072400000000 ] - [ 0.0019692300000000, 0.0003134100000000, -0.0020063200000000 ] - [ 0.0000973500000000, 0.0005241300000000, -0.0001077100000000 ] - [ 0.0004037200000000, -0.0002676600000000, -0.0000417600000000 ] - [ 0.0000128200000000, -0.0005024800000000, -0.0000611900000000 ] - [ 0.0002757500000000, 0.0003414300000000, 0.0002449300000000 ] - [ -0.0004715700000000, -0.0000372300000000, -0.0001615800000000 ] - [ -0.0001795000000000, -0.0001815800000000, -0.0005510000000000 ] - [ -0.0002638200000000, -0.0003461400000000, -0.0007654300000000 ] - [ -0.0002526400000000, 0.0001369200000000, 0.0004861000000000 ] - [ -0.0000143000000000, -0.0000054000000000, 0.0005151200000000 ] - [ -0.0005962100000000, 0.0001909100000000, 0.0002441400000000 ] - [ -0.0006529500000000, 0.0001909400000000, -0.0002856300000000 ] - [ -0.0000812000000000, -0.0000930700000000, -0.0000776400000000 ] - [ 0.0002654100000000, -0.0001003100000000, -0.0004620700000000 ] - [ 0.0000351800000000, 0.0002580700000000, -0.0003235800000000 ] - [ -0.0004133400000000, 0.0005168200000000, -0.0003302100000000 ] - [ 0.0002169000000000, -0.0000826400000000, 0.0001717100000000 ] - [ 0.0002802800000000, -0.0000825100000000, -0.0000872400000000 ] - [ 0.0002862100000000, 0.0001107200000000, -0.0002531000000000 ] - [ 0.0003352800000000, 0.0001237700000000, 0.0001726500000000 ] - [ -0.0000243400000000, -0.0001104300000000, -0.0001556700000000 ] - [ 0.0001827100000000, -0.0001231900000000, -0.0000276500000000 ] - [ -0.0001793700000000, 0.0001088400000000, -0.0003476900000000 ] - [ -0.0000328500000000, 0.0000274200000000, 0.0001072400000000 ] - [ 0.0010244300000000, -0.0008128700000000, 0.0008003200000000 ] - [ 0.0000417500000000, -0.0000331400000000, 0.0000793500000000 ] - [ -0.0001506700000000, -0.0006644800000000, -0.0023399200000000 ] - [ 0.0000271300000000, -0.0000334300000000, 0.0001725200000000 ] - [ -0.0002401600000000, 0.0002699700000000, 0.0001293300000000 ] - [ -0.0000356300000000, 0.0000137600000000, 0.0000643000000000 ] - [ -0.0009387100000000, -0.0005827500000000, 0.0004726000000000 ] - [ -0.0002882800000000, -0.0006318100000000, 0.0002142700000000 ] - [ -0.0103177200000000, -0.0022711200000000, -0.0003895300000000 ] - [ 0.0003472800000000, 0.0004376000000000, 0.0005989300000000 ] - [ -0.0006295900000000, -0.0003103100000000, -0.0003342400000000 ] - [ -0.0022933500000000, 0.0003057500000000, 0.0018564300000000 ] - [ 0.0000859800000000, -0.0008164200000000, 0.0009780200000000 ] - [ 0.0001965200000000, 0.0005215500000000, -0.0004683600000000 ] - [ 0.0110431300000000, 0.0040711400000000, -0.0013213300000000 ] - [ 0.0005479200000000, -0.0004196200000000, 0.0004024500000000 ] - [ 0.0009704100000000, 0.0007896700000000, 0.0012201100000000 ] - [ 0.0022296500000000, 0.0007347300000000, -0.0005272100000000 ] - [ 0.0110861900000000, -0.0017654800000000, -0.0018589400000000 ] - [ -0.0004668600000000, -0.0005030100000000, 0.0005659500000000 ] - [ -0.0041566100000000, -0.0007528500000000, -0.0006167200000000 ] - [ -0.0004398900000000, 0.0004922600000000, 0.0004130800000000 ]- atom: 9 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0004599500000000, 0.0004480300000000, 0.0005469900000000 ] - [ -0.0007857300000000, 0.0003591400000000, 0.0003484900000000 ] - [ -0.0012513200000000, -0.0004344600000000, -0.0006647100000000 ] - [ -0.0004014100000000, -0.0003898700000000, -0.0001419500000000 ] - [ -0.0000074600000000, 0.0005274200000000, -0.0009749400000000 ] - [ 0.0003063000000000, 0.0003408400000000, 0.0001866100000000 ] - [ 0.0004672200000000, -0.0004554000000000, 0.0005856800000000 ] - [ 0.0015741300000000, -0.0025035000000000, -0.0025028800000000 ] - [ 0.0327951400000000, -0.0081576700000000, -0.0003761400000000 ] - [ 0.0001621500000000, -0.0002448400000000, 0.0001363900000000 ] - [ -0.0023380000000000, -0.0004927200000000, -0.0004944800000000 ] - [ -0.0001468300000000, 0.0002060000000000, 0.0001377000000000 ] - [ 0.0001828100000000, 0.0001870400000000, -0.0000858300000000 ] - [ 0.0005001100000000, 0.0000045300000000, 0.0000651200000000 ] - [ -0.0014852800000000, 0.0031841500000000, 0.0022974100000000 ] - [ 0.0000101400000000, 0.0005156100000000, 0.0000404100000000 ] - [ 0.0002288200000000, -0.0013403400000000, 0.0004013900000000 ] - [ 0.0001528400000000, -0.0005261800000000, 0.0001885600000000 ] - [ -0.0001074300000000, 0.0010196800000000, 0.0007002800000000 ] - [ -0.0005146100000000, 0.0001462500000000, 0.0002029700000000 ] - [ -0.0113069900000000, -0.0008042600000000, 0.0023687700000000 ] - [ -0.0000347000000000, -0.0000306700000000, -0.0005180500000000 ] - [ -0.0001445700000000, -0.0000499100000000, 0.0007418600000000 ] - [ -0.0001137200000000, 0.0000322000000000, 0.0004587500000000 ] - [ -0.0025266600000000, 0.0009842900000000, -0.0006235000000000 ] - [ -0.0002540700000000, 0.0001572700000000, 0.0001332500000000 ] - [ 0.0012129800000000, 0.0048770500000000, -0.0011635000000000 ] - [ -0.0001729400000000, -0.0002720200000000, 0.0000047700000000 ] - [ -0.0004467500000000, 0.0002657300000000, -0.0001715300000000 ] - [ 0.0001676500000000, 0.0003104000000000, 0.0000167700000000 ] - [ 0.0000170400000000, -0.0019189800000000, -0.0000106000000000 ] - [ 0.0002053200000000, -0.0001427000000000, 0.0001353900000000 ] - [ -0.0110377400000000, 0.0068050900000000, -0.0041336000000000 ] - [ 0.0003099700000000, 0.0001796300000000, 0.0000275900000000 ] - [ 0.0004833500000000, -0.0068521600000000, -0.0025685200000000 ] - [ -0.0002592100000000, -0.0001800000000000, 0.0000135300000000 ] - [ 0.0008441900000000, 0.0001423500000000, -0.0009832700000000 ] - [ -0.0003902500000000, 0.0004332200000000, 0.0004744000000000 ] - [ 0.0006940200000000, 0.0001675200000000, 0.0016586600000000 ] - [ -0.0003636700000000, -0.0004067200000000, -0.0001773400000000 ] - [ 0.0018689900000000, 0.0033865500000000, -0.0043975600000000 ] - [ 0.0003520700000000, 0.0003501500000000, 0.0000260100000000 ] - [ -0.0001132200000000, -0.0003235700000000, -0.0003601200000000 ] - [ 0.0004246900000000, -0.0004385300000000, 0.0005161400000000 ] - [ 0.0000207400000000, -0.0000628700000000, 0.0000881400000000 ] - [ 0.0000208700000000, -0.0000598000000000, 0.0001612900000000 ] - [ -0.0001091700000000, 0.0003260600000000, 0.0000909900000000 ] - [ -0.0001092400000000, 0.0002313400000000, 0.0000764100000000 ] - [ 0.0021976000000000, -0.0009360500000000, 0.0039900500000000 ] - [ 0.0005745900000000, -0.0000366800000000, 0.0001111800000000 ] - [ -0.0019644300000000, 0.0007282000000000, 0.0020027600000000 ] - [ -0.0000969900000000, 0.0005166200000000, 0.0001089000000000 ] - [ -0.0003929600000000, -0.0007757700000000, 0.0000486100000000 ] - [ -0.0000096100000000, -0.0005371300000000, 0.0000637100000000 ] - [ -0.0013174600000000, -0.0003373900000000, -0.0002364300000000 ] - [ -0.0005681100000000, 0.0000372300000000, 0.0001610200000000 ] - [ 0.0001785600000000, 0.0001818000000000, -0.0005818200000000 ] - [ 0.0002610400000000, 0.0003452000000000, -0.0003670000000000 ] - [ 0.0002046200000000, -0.0001004300000000, 0.0006404900000000 ] - [ 0.0000141100000000, 0.0000059500000000, 0.0006175700000000 ] - [ 0.0000756700000000, 0.0001366800000000, -0.0001227600000000 ] - [ 0.0001327300000000, 0.0001367000000000, 0.0004088400000000 ] - [ -0.0002470600000000, -0.0004229300000000, -0.0000437000000000 ] - [ -0.0005912600000000, -0.0004163900000000, 0.0003351100000000 ] - [ 0.0002908200000000, 0.0002549400000000, 0.0001987800000000 ] - [ 0.0007377800000000, -0.0000046900000000, 0.0002081400000000 ] - [ 0.0002956000000000, -0.0002440400000000, -0.0000473700000000 ] - [ 0.0002324200000000, -0.0002438800000000, 0.0002104700000000 ] - [ 0.0002306900000000, 0.0002171400000000, 0.0001303600000000 ] - [ 0.0001830100000000, 0.0002046300000000, -0.0002950600000000 ] - [ -0.0004877600000000, -0.0002167900000000, 0.0000328300000000 ] - [ -0.0006918600000000, -0.0002040400000000, -0.0000955700000000 ] - [ 0.0001734100000000, -0.0001098300000000, 0.0003488100000000 ] - [ 0.0000323500000000, -0.0000277100000000, -0.0001078800000000 ] - [ -0.0009100600000000, 0.0008408400000000, -0.0009144100000000 ] - [ -0.0000411100000000, 0.0000329700000000, -0.0000799900000000 ] - [ 0.0001620000000000, 0.0006649500000000, 0.0023350100000000 ] - [ -0.0000262700000000, 0.0000333800000000, -0.0001726500000000 ] - [ 0.0002361900000000, -0.0002707600000000, -0.0001290800000000 ] - [ 0.0000349900000000, -0.0000142600000000, -0.0000651200000000 ] - [ 0.0018585400000000, -0.0003424300000000, -0.0006487100000000 ] - [ 0.0012068300000000, -0.0002921500000000, -0.0003729300000000 ] - [ 0.0112322400000000, 0.0032395000000000, 0.0005424700000000 ] - [ 0.0005729400000000, 0.0004858500000000, -0.0004345500000000 ] - [ -0.0002891100000000, -0.0006103500000000, 0.0004908900000000 ] - [ 0.0013738700000000, -0.0012207500000000, -0.0016800700000000 ] - [ -0.0010220800000000, 0.0017393900000000, -0.0011251400000000 ] - [ -0.0011222600000000, 0.0004050600000000, 0.0002782600000000 ] - [ -0.0101062600000000, -0.0047861200000000, 0.0011563700000000 ] - [ 0.0003746400000000, -0.0005026900000000, -0.0005713600000000 ] - [ -0.0000472900000000, 0.0001303000000000, -0.0010567600000000 ] - [ -0.0012991200000000, 0.0001758600000000, 0.0006861700000000 ] - [ -0.0120687100000000, 0.0009910800000000, 0.0020918900000000 ] - [ -0.0004565300000000, -0.0004184100000000, -0.0004038800000000 ] - [ 0.0032488600000000, 0.0016390000000000, 0.0004531700000000 ] - [ -0.0004804400000000, 0.0004280900000000, -0.0005818600000000 ]- atom: 9 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0005268600000000, 0.0005441900000000, 0.0011037100000000 ] - [ -0.0004192100000000, 0.0003250000000000, -0.0006874100000000 ] - [ -0.0006889200000000, -0.0008951400000000, -0.0006307200000000 ] - [ -0.0003572500000000, -0.0003843300000000, 0.0000542300000000 ] - [ 0.0001854300000000, 0.0005597200000000, -0.0013956000000000 ] - [ 0.0002724300000000, 0.0002555400000000, 0.0006096500000000 ] - [ 0.0004191600000000, -0.0004267800000000, 0.0004105500000000 ] - [ 0.0043410800000000, -0.0000701700000000, 0.0126776400000000 ] - [ 0.0079386900000000, -0.0831246600000000, -0.0079135900000000 ] - [ 0.0001500600000000, -0.0003245300000000, 0.0002151500000000 ] - [ 0.0005855600000000, -0.0012854300000000, 0.0000867700000000 ] - [ -0.0001113500000000, 0.0000718500000000, 0.0002373700000000 ] - [ 0.0002215700000000, 0.0014241800000000, -0.0007891200000000 ] - [ 0.0004963600000000, 0.0000677900000000, 0.0001428600000000 ] - [ -0.0059621100000000, 0.0005472700000000, 0.0060675300000000 ] - [ -0.0000745000000000, 0.0005143600000000, 0.0001361500000000 ] - [ 0.0005683800000000, 0.0010771000000000, -0.0011933200000000 ] - [ 0.0003321800000000, -0.0005150200000000, 0.0005202400000000 ] - [ 0.0014495600000000, 0.0082254700000000, 0.0075655100000000 ] - [ -0.0005611500000000, 0.0004782400000000, 0.0004875000000000 ] - [ -0.0074395800000000, -0.0068488900000000, -0.0001062100000000 ] - [ -0.0000693500000000, -0.0001308300000000, -0.0004529300000000 ] - [ 0.0002673200000000, -0.0008141600000000, 0.0008963900000000 ] - [ 0.0005073900000000, -0.0008445600000000, 0.0004851400000000 ] - [ -0.0048873600000000, 0.0024361100000000, -0.0016810600000000 ] - [ -0.0001941800000000, 0.0001596000000000, 0.0002250000000000 ] - [ 0.0049351700000000, 0.0174270500000000, -0.0043955400000000 ] - [ -0.0001777100000000, -0.0001768900000000, 0.0000792800000000 ] - [ 0.0001750000000000, 0.0016832900000000, -0.0002481100000000 ] - [ 0.0002156700000000, 0.0004486200000000, 0.0001220700000000 ] - [ 0.0091385500000000, 0.0001050300000000, -0.0009778200000000 ] - [ 0.0001955400000000, -0.0001101300000000, 0.0002276700000000 ] - [ -0.0113422500000000, -0.0005296700000000, -0.0040542000000000 ] - [ 0.0003169600000000, 0.0001644600000000, 0.0001180700000000 ] - [ 0.0114576700000000, 0.0112707100000000, 0.0032545600000000 ] - [ -0.0003170500000000, -0.0002160200000000, 0.0000728100000000 ] - [ 0.0017160900000000, -0.0001523900000000, -0.0112240300000000 ] - [ -0.0005970200000000, 0.0006146200000000, 0.0012293800000000 ] - [ 0.0011889300000000, 0.0014989800000000, 0.0048655700000000 ] - [ -0.0004437000000000, -0.0004039400000000, -0.0004426300000000 ] - [ -0.0011771100000000, 0.0106205200000000, -0.0116263700000000 ] - [ 0.0002658200000000, 0.0002571400000000, 0.0004623000000000 ] - [ 0.0005937700000000, 0.0000500500000000, 0.0001933100000000 ] - [ 0.0004522300000000, -0.0004054500000000, 0.0005564400000000 ] - [ -0.0000356500000000, 0.0004998700000000, 0.0002504200000000 ] - [ -0.0000312900000000, 0.0004978000000000, 0.0002270100000000 ] - [ -0.0001362100000000, 0.0011840100000000, -0.0004743400000000 ] - [ -0.0002310000000000, 0.0011861200000000, 0.0005264400000000 ] - [ 0.0001041000000000, -0.0057381500000000, 0.0071737100000000 ] - [ 0.0004167700000000, -0.0006723900000000, 0.0005790700000000 ] - [ -0.0051830700000000, 0.0011500900000000, 0.0054113500000000 ] - [ -0.0000531700000000, 0.0005172100000000, 0.0000692800000000 ] - [ 0.0001156500000000, -0.0011667800000000, -0.0009054500000000 ] - [ 0.0004751500000000, -0.0004963200000000, 0.0006616800000000 ] - [ -0.0007466100000000, -0.0012808100000000, -0.0006628900000000 ] - [ -0.0005362500000000, -0.0001214000000000, 0.0000920700000000 ] - [ 0.0003472400000000, 0.0005817800000000, -0.0005874300000000 ] - [ 0.0004852900000000, 0.0012052500000000, -0.0002309800000000 ] - [ -0.0098185400000000, 0.0101546800000000, -0.0006974900000000 ] - [ -0.0000693000000000, 0.0001234300000000, 0.0006799400000000 ] - [ -0.0003747300000000, -0.0002267400000000, -0.0004165500000000 ] - [ -0.0003770700000000, -0.0001699900000000, 0.0006964500000000 ] - [ -0.0003285700000000, -0.0008856700000000, 0.0001031600000000 ] - [ -0.0003239700000000, -0.0012430100000000, 0.0000560400000000 ] - [ 0.0001604500000000, -0.0002375600000000, 0.0003829000000000 ] - [ -0.0000940300000000, -0.0010879100000000, -0.0012637000000000 ] - [ 0.0004024600000000, -0.0001409700000000, 0.0004636700000000 ] - [ 0.0004036600000000, -0.0002049900000000, -0.0001320900000000 ] - [ 0.0002873600000000, 0.0003941600000000, 0.0004281900000000 ] - [ -0.0001181400000000, 0.0005974100000000, -0.0007591500000000 ] - [ -0.0002871700000000, -0.0001343600000000, -0.0001112900000000 ] - [ 0.0001167900000000, -0.0000843500000000, 0.0003102400000000 ] - [ -0.0006578800000000, -0.0018296100000000, -0.0000096900000000 ] - [ 0.0000184200000000, -0.0001543300000000, -0.0001984000000000 ] - [ -0.0009993000000000, 0.0036764400000000, 0.0011793300000000 ] - [ -0.0000250700000000, 0.0001494000000000, -0.0002289200000000 ] - [ -0.0012119700000000, 0.0022693800000000, -0.0009535400000000 ] - [ 0.0000233200000000, 0.0002214400000000, -0.0001579500000000 ] - [ -0.0001691800000000, -0.0014604300000000, 0.0003781700000000 ] - [ -0.0000339600000000, -0.0001996500000000, -0.0002254600000000 ] - [ 0.0020242900000000, 0.0002843600000000, -0.0026379600000000 ] - [ 0.0005551100000000, -0.0000114800000000, 0.0007313400000000 ] - [ 0.0041166400000000, 0.0071645500000000, 0.0025732400000000 ] - [ 0.0003787500000000, 0.0007173300000000, -0.0011051900000000 ] - [ -0.0002745800000000, -0.0008298600000000, 0.0006685700000000 ] - [ 0.0019431200000000, -0.0014174700000000, -0.0030671200000000 ] - [ -0.0015863600000000, 0.0053238400000000, 0.0020752600000000 ] - [ -0.0011335400000000, 0.0028290300000000, -0.0055839700000000 ] - [ -0.0021693500000000, 0.0325402600000000, 0.0023468500000000 ] - [ 0.0004929400000000, -0.0006985100000000, -0.0012588400000000 ] - [ 0.0000162100000000, -0.0010330900000000, -0.0033918500000000 ] - [ -0.0006822400000000, -0.0060034200000000, 0.0040870700000000 ] - [ 0.0034765200000000, -0.0013153600000000, -0.0029531800000000 ] - [ -0.0004232600000000, -0.0001721500000000, -0.0008907700000000 ] - [ -0.0007839300000000, -0.0076584700000000, 0.0026275700000000 ] - [ -0.0005047900000000, 0.0002394600000000, -0.0011590100000000 ]- atom: 9 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0002837900000000, 0.0002659600000000, -0.0005225100000000 ] - [ -0.0003910900000000, 0.0004758300000000, 0.0012556500000000 ] - [ -0.0001228700000000, 0.0000942200000000, 0.0000559600000000 ] - [ -0.0004528500000000, -0.0004255900000000, -0.0006301100000000 ] - [ 0.0006239500000000, 0.0002550300000000, 0.0008118300000000 ] - [ 0.0005366500000000, 0.0005546700000000, -0.0011837800000000 ] - [ 0.0003911200000000, -0.0003830400000000, 0.0001656500000000 ] - [ -0.0035617300000000, -0.0006603500000000, -0.0121762600000000 ] - [ -0.0074947200000000, 0.0846104400000000, 0.0077905300000000 ] - [ 0.0001767900000000, -0.0001906300000000, -0.0000911100000000 ] - [ -0.0009308900000000, 0.0017680500000000, 0.0000279000000000 ] - [ -0.0002147200000000, 0.0004416900000000, -0.0001129800000000 ] - [ 0.0008199700000000, -0.0014170800000000, 0.0007794400000000 ] - [ 0.0005436700000000, -0.0000676300000000, -0.0001411500000000 ] - [ 0.0060177300000000, 0.0005574300000000, -0.0061251500000000 ] - [ 0.0000739700000000, 0.0005265100000000, -0.0001349100000000 ] - [ -0.0005689100000000, -0.0021426400000000, 0.0011874500000000 ] - [ -0.0003299700000000, -0.0005250500000000, -0.0005182300000000 ] - [ -0.0025092100000000, -0.0082999900000000, -0.0076728400000000 ] - [ -0.0004780800000000, -0.0004753200000000, -0.0004846400000000 ] - [ 0.0074897700000000, 0.0067782500000000, -0.0010635300000000 ] - [ 0.0000697600000000, 0.0001306900000000, -0.0006798300000000 ] - [ -0.0002614500000000, 0.0008102200000000, 0.0002335400000000 ] - [ -0.0005021100000000, 0.0008406700000000, 0.0006522300000000 ] - [ 0.0043330000000000, -0.0021075000000000, 0.0017855100000000 ] - [ -0.0003207500000000, 0.0001669700000000, -0.0001007900000000 ] - [ -0.0052920300000000, -0.0179894400000000, 0.0042965500000000 ] - [ -0.0001493700000000, -0.0003380200000000, -0.0002022800000000 ] - [ 0.0001508200000000, -0.0011510900000000, 0.0001262200000000 ] - [ 0.0001111700000000, 0.0000675000000000, -0.0002453100000000 ] - [ -0.0087447000000000, -0.0003966700000000, 0.0011067900000000 ] - [ 0.0003188800000000, -0.0002157600000000, -0.0001032500000000 ] - [ 0.0118898800000000, 0.0009594800000000, 0.0039531100000000 ] - [ 0.0001982100000000, 0.0001623600000000, -0.0002411700000000 ] - [ -0.0117768000000000, -0.0114824600000000, -0.0032954000000000 ] - [ -0.0001980300000000, -0.0001117200000000, -0.0001955600000000 ] - [ -0.0025436700000000, 0.0010052100000000, 0.0119448500000000 ] - [ -0.0002140100000000, 0.0001974000000000, -0.0006477600000000 ] - [ -0.0019799800000000, -0.0023103700000000, -0.0053995400000000 ] - [ -0.0003673200000000, -0.0004088400000000, -0.0001394600000000 ] - [ 0.0019412700000000, -0.0097038300000000, 0.0108762800000000 ] - [ 0.0005430200000000, 0.0005505700000000, -0.0010344900000000 ] - [ 0.0002177300000000, -0.0008652300000000, 0.0003880100000000 ] - [ 0.0003580200000000, -0.0004062300000000, 0.0000227700000000 ] - [ 0.0003608600000000, -0.0010118400000000, -0.0001244900000000 ] - [ 0.0003581600000000, -0.0010140400000000, -0.0001044500000000 ] - [ -0.0001911100000000, -0.0006629200000000, 0.0006037300000000 ] - [ -0.0000976400000000, -0.0006605600000000, -0.0004078600000000 ] - [ 0.0009852300000000, 0.0056722700000000, -0.0072648600000000 ] - [ 0.0006238700000000, 0.0006688100000000, -0.0005715000000000 ] - [ 0.0051286000000000, -0.0001164400000000, -0.0053533600000000 ] - [ 0.0000519200000000, 0.0005215300000000, -0.0000672900000000 ] - [ -0.0001195000000000, 0.0001396700000000, 0.0008997200000000 ] - [ -0.0004719200000000, -0.0005415600000000, -0.0006583600000000 ] - [ -0.0002956400000000, 0.0012725900000000, 0.0006501900000000 ] - [ -0.0005029400000000, 0.0001218000000000, -0.0000901800000000 ] - [ -0.0003438200000000, -0.0005780900000000, -0.0005441200000000 ] - [ -0.0004787300000000, -0.0012005500000000, -0.0009058000000000 ] - [ 0.0099416000000000, -0.0102508900000000, 0.0018410000000000 ] - [ 0.0000694600000000, -0.0001226900000000, 0.0004535900000000 ] - [ -0.0001395100000000, 0.0005595500000000, 0.0005376100000000 ] - [ -0.0001419600000000, 0.0005024100000000, -0.0005708600000000 ] - [ 0.0000006800000000, 0.0003686100000000, -0.0002271400000000 ] - [ -0.0000083800000000, 0.0007315500000000, -0.0001727700000000 ] - [ 0.0001645300000000, 0.0007455900000000, -0.0005132500000000 ] - [ 0.0004282900000000, 0.0015761900000000, 0.0011643800000000 ] - [ 0.0001112500000000, -0.0001899300000000, -0.0003407500000000 ] - [ 0.0001127600000000, -0.0001273300000000, 0.0002564100000000 ] - [ 0.0002274200000000, -0.0000684400000000, -0.0005486500000000 ] - [ 0.0006262900000000, -0.0002766100000000, 0.0006277100000000 ] - [ -0.0002272000000000, -0.0001908700000000, -0.0000128200000000 ] - [ -0.0006279200000000, -0.0002374800000000, -0.0004337900000000 ] - [ 0.0006704300000000, 0.0018258400000000, 0.0000216100000000 ] - [ -0.0000179700000000, 0.0001534700000000, 0.0001963800000000 ] - [ 0.0010930600000000, -0.0036520700000000, -0.0012725600000000 ] - [ 0.0000254800000000, -0.0001490700000000, 0.0002285200000000 ] - [ 0.0012467300000000, -0.0022499900000000, 0.0010107500000000 ] - [ -0.0000223300000000, -0.0002210200000000, 0.0001545300000000 ] - [ 0.0001796200000000, 0.0014513000000000, -0.0003898300000000 ] - [ 0.0000344600000000, 0.0001987800000000, 0.0002254300000000 ] - [ -0.0010885400000000, -0.0011825600000000, 0.0024585500000000 ] - [ 0.0003704100000000, -0.0008937500000000, -0.0009006800000000 ] - [ -0.0031719800000000, -0.0063185200000000, -0.0023966900000000 ] - [ 0.0005416500000000, 0.0002042200000000, 0.0012671600000000 ] - [ -0.0006469800000000, -0.0001018900000000, -0.0005017000000000 ] - [ -0.0028686700000000, 0.0004683900000000, 0.0032402800000000 ] - [ 0.0006642000000000, -0.0044571000000000, -0.0022216100000000 ] - [ 0.0002014400000000, -0.0019370900000000, 0.0053765700000000 ] - [ 0.0032372700000000, -0.0368620700000000, -0.0025593800000000 ] - [ 0.0004282000000000, -0.0002262900000000, 0.0010849700000000 ] - [ 0.0008997700000000, 0.0019646500000000, 0.0035314000000000 ] - [ 0.0015786900000000, 0.0069901100000000, -0.0038699100000000 ] - [ -0.0049430900000000, 0.0016217600000000, 0.0036048000000000 ] - [ -0.0004984100000000, -0.0007450100000000, 0.0010508200000000 ] - [ -0.0001586900000000, 0.0086612800000000, -0.0027650800000000 ] - [ -0.0004156900000000, 0.0006816200000000, 0.0009854400000000 ]- atom: 9 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ -0.0005590800000000, 0.0005718100000000, 0.0011930500000000 ] - [ -0.0003626200000000, 0.0001371200000000, -0.0006014800000000 ] - [ -0.0008227300000000, -0.0006246400000000, -0.0020385900000000 ] - [ -0.0002543200000000, -0.0002470500000000, 0.0007136500000000 ] - [ 0.0004494800000000, 0.0003665800000000, -0.0003837700000000 ] - [ 0.0002565900000000, 0.0003024600000000, 0.0005296500000000 ] - [ 0.0006439400000000, -0.0006617500000000, 0.0017376400000000 ] - [ 0.0039186400000000, 0.0064723100000000, 0.0093809600000000 ] - [ 0.0005872100000000, -0.0082590400000000, -0.0350349400000000 ] - [ 0.0000893300000000, -0.0001055100000000, 0.0004781400000000 ] - [ -0.0007192400000000, 0.0002271100000000, -0.0009511000000000 ] - [ -0.0000874400000000, 0.0000830900000000, 0.0003973800000000 ] - [ 0.0003542300000000, 0.0006820900000000, -0.0009227100000000 ] - [ 0.0005184700000000, -0.0002955100000000, 0.0005844300000000 ] - [ -0.0019718000000000, 0.0032054800000000, 0.0007841500000000 ] - [ -0.0002657000000000, 0.0004821400000000, 0.0006533200000000 ] - [ -0.0009459400000000, -0.0013842400000000, -0.0010177100000000 ] - [ 0.0004249000000000, -0.0005034300000000, 0.0007239900000000 ] - [ -0.0007281700000000, -0.0006073100000000, -0.0011577000000000 ] - [ -0.0005147700000000, 0.0003948000000000, 0.0007450000000000 ] - [ -0.0036215800000000, -0.0010115300000000, -0.0018116200000000 ] - [ 0.0000164300000000, -0.0000165000000000, -0.0003045900000000 ] - [ -0.0006731200000000, 0.0002547200000000, 0.0009645400000000 ] - [ 0.0006709100000000, -0.0005395900000000, 0.0008241000000000 ] - [ -0.0019941300000000, 0.0008505400000000, -0.0012269000000000 ] - [ -0.0000958000000000, 0.0000921800000000, 0.0003966300000000 ] - [ 0.0009385500000000, 0.0041037100000000, -0.0014265600000000 ] - [ -0.0002297800000000, -0.0003989700000000, 0.0002964300000000 ] - [ 0.0000548100000000, 0.0000726600000000, -0.0004931400000000 ] - [ 0.0002421100000000, 0.0004415700000000, 0.0002611500000000 ] - [ 0.0013153800000000, -0.0002307100000000, -0.0013194300000000 ] - [ 0.0000928200000000, -0.0000901900000000, 0.0004472000000000 ] - [ 0.0035231500000000, -0.0023585400000000, -0.0015994400000000 ] - [ 0.0003927100000000, 0.0002383000000000, 0.0002950500000000 ] - [ 0.0037496500000000, 0.0039576600000000, -0.0015965900000000 ] - [ -0.0004372200000000, -0.0002530800000000, 0.0002952100000000 ] - [ -0.0002588500000000, -0.0024565500000000, -0.0006450800000000 ] - [ -0.0006909700000000, 0.0007260000000000, 0.0017428800000000 ] - [ -0.0000425500000000, 0.0002765900000000, 0.0009186900000000 ] - [ -0.0002551500000000, -0.0003176900000000, 0.0006017600000000 ] - [ 0.0026513100000000, -0.0043543800000000, -0.0029067200000000 ] - [ 0.0001913500000000, 0.0002400500000000, 0.0009124400000000 ] - [ 0.0003031100000000, -0.0001808700000000, -0.0005485600000000 ] - [ 0.0005316000000000, -0.0005583700000000, 0.0011651000000000 ] - [ 0.0000645800000000, -0.0000927600000000, 0.0001784200000000 ] - [ 0.0001376900000000, -0.0000709000000000, 0.0001802100000000 ] - [ -0.0001504200000000, -0.0002110800000000, 0.0003635500000000 ] - [ -0.0001324800000000, 0.0007943100000000, 0.0003651700000000 ] - [ -0.0031806400000000, 0.0009688300000000, 0.0127987400000000 ] - [ 0.0005148700000000, -0.0006709800000000, 0.0011326700000000 ] - [ -0.0014077500000000, 0.0007070900000000, 0.0012071000000000 ] - [ -0.0001996500000000, 0.0004948300000000, 0.0005200300000000 ] - [ -0.0007763500000000, -0.0008368400000000, -0.0005344200000000 ] - [ 0.0006782500000000, -0.0004340600000000, 0.0009503000000000 ] - [ -0.0004981800000000, -0.0002084600000000, -0.0003076100000000 ] - [ -0.0005287100000000, 0.0002100000000000, 0.0005398300000000 ] - [ 0.0001843600000000, 0.0001040500000000, -0.0003918400000000 ] - [ -0.0001592500000000, 0.0001066900000000, -0.0004577000000000 ] - [ -0.0007815300000000, 0.0009918600000000, 0.0001281400000000 ] - [ -0.0000081700000000, 0.0000165100000000, 0.0008049500000000 ] - [ 0.0003771700000000, -0.0001847700000000, 0.0005441500000000 ] - [ -0.0007330200000000, 0.0003459000000000, 0.0005442700000000 ] - [ -0.0001803500000000, -0.0004234700000000, 0.0001842600000000 ] - [ -0.0005608800000000, -0.0003737000000000, 0.0001855700000000 ] - [ 0.0004261000000000, 0.0007079200000000, 0.0008272100000000 ] - [ 0.0004311500000000, -0.0009495600000000, 0.0014210300000000 ] - [ 0.0004536100000000, -0.0000145600000000, 0.0002980800000000 ] - [ -0.0001430700000000, -0.0002725200000000, 0.0002988300000000 ] - [ 0.0002085200000000, 0.0002577800000000, 0.0002698600000000 ] - [ 0.0006303600000000, 0.0001300600000000, 0.0000080800000000 ] - [ -0.0007477100000000, -0.0003562100000000, 0.0002702800000000 ] - [ 0.0004323400000000, 0.0000688500000000, 0.0000081800000000 ] - [ -0.0003186900000000, -0.0003302700000000, 0.0006713800000000 ] - [ 0.0000424600000000, 0.0000015400000000, -0.0004528100000000 ] - [ 0.0011716800000000, 0.0007997700000000, 0.0013029800000000 ] - [ -0.0000841700000000, 0.0000116100000000, -0.0005160500000000 ] - [ -0.0020639500000000, -0.0002746100000000, -0.0012216500000000 ] - [ 0.0001308200000000, 0.0000628500000000, -0.0005494400000000 ] - [ 0.0002528600000000, -0.0001415400000000, 0.0001823400000000 ] - [ -0.0000765700000000, -0.0000760500000000, -0.0004123900000000 ] - [ 0.0013853700000000, -0.0008842400000000, -0.0011867100000000 ] - [ 0.0002881800000000, 0.0001713800000000, -0.0008262500000000 ] - [ 0.0012471400000000, 0.0016855800000000, 0.0037216300000000 ] - [ 0.0002764400000000, 0.0004216200000000, -0.0022165300000000 ] - [ -0.0007002400000000, -0.0002313200000000, -0.0013763100000000 ] - [ 0.0011804900000000, -0.0014415400000000, -0.0005032400000000 ] - [ 0.0008206900000000, 0.0036558300000000, -0.0047758600000000 ] - [ -0.0017603800000000, -0.0000228700000000, -0.0063834800000000 ] - [ -0.0001413300000000, -0.0061656500000000, 0.0133809100000000 ] - [ 0.0004948500000000, -0.0005379100000000, -0.0027889400000000 ] - [ 0.0000981000000000, -0.0002905200000000, -0.0026227700000000 ] - [ 0.0006215100000000, 0.0022402800000000, -0.0008004000000000 ] - [ -0.0026259200000000, 0.0015595100000000, 0.0145257700000000 ] - [ -0.0004719400000000, -0.0001935500000000, -0.0024513300000000 ] - [ 0.0000465400000000, -0.0000429400000000, 0.0041475800000000 ] - [ -0.0005505200000000, 0.0004947200000000, -0.0022416900000000 ]- atom: 9 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ -0.0002457100000000, 0.0002329400000000, -0.0006213200000000 ] - [ -0.0004431900000000, 0.0006699600000000, 0.0011825300000000 ] - [ 0.0000200000000000, -0.0001811300000000, 0.0014743000000000 ] - [ -0.0005516500000000, -0.0005595100000000, -0.0012904700000000 ] - [ 0.0003565400000000, 0.0004395200000000, -0.0002003300000000 ] - [ 0.0005486700000000, 0.0005014700000000, -0.0010998100000000 ] - [ 0.0001623500000000, -0.0001445200000000, -0.0011615400000000 ] - [ -0.0031921200000000, -0.0074378300000000, -0.0089508300000000 ] - [ -0.0001956100000000, 0.0074312900000000, 0.0351944700000000 ] - [ 0.0002360600000000, -0.0004122100000000, -0.0003546000000000 ] - [ 0.0003963500000000, 0.0002865000000000, 0.0010782200000000 ] - [ -0.0002363300000000, 0.0004335600000000, -0.0002742900000000 ] - [ 0.0006847900000000, -0.0006848700000000, 0.0009293300000000 ] - [ 0.0005207300000000, 0.0002955600000000, -0.0005853300000000 ] - [ 0.0019767500000000, -0.0021974300000000, -0.0007718600000000 ] - [ 0.0002674200000000, 0.0005561300000000, -0.0006541400000000 ] - [ 0.0009509300000000, 0.0003543600000000, 0.0010234900000000 ] - [ -0.0004244000000000, -0.0005342900000000, -0.0007257300000000 ] - [ -0.0003008100000000, 0.0006341300000000, 0.0011972900000000 ] - [ -0.0005225100000000, -0.0003958800000000, -0.0007471200000000 ] - [ 0.0036355700000000, 0.0010055100000000, 0.0006524300000000 ] - [ -0.0000159300000000, 0.0000166400000000, -0.0008345100000000 ] - [ 0.0006670300000000, -0.0002521200000000, 0.0001752100000000 ] - [ -0.0006746100000000, 0.0005425900000000, 0.0003145400000000 ] - [ 0.0014720400000000, -0.0005237400000000, 0.0013498200000000 ] - [ -0.0004216100000000, 0.0002322800000000, -0.0002738400000000 ] - [ -0.0012485800000000, -0.0045884500000000, 0.0012919400000000 ] - [ -0.0000947500000000, -0.0001182300000000, -0.0004197700000000 ] - [ 0.0002702000000000, 0.0004473600000000, 0.0003683000000000 ] - [ 0.0000826500000000, 0.0000748600000000, -0.0003849000000000 ] - [ -0.0007683500000000, -0.0000894900000000, 0.0014429200000000 ] - [ 0.0004240800000000, -0.0002346800000000, -0.0003240000000000 ] - [ -0.0030254400000000, 0.0026761900000000, 0.0014427700000000 ] - [ 0.0001250600000000, 0.0000856200000000, -0.0004190200000000 ] - [ -0.0042580600000000, -0.0042719300000000, 0.0014458300000000 ] - [ -0.0000786100000000, -0.0000719700000000, -0.0004188100000000 ] - [ -0.0005434000000000, 0.0032111000000000, 0.0012052500000000 ] - [ -0.0001135900000000, 0.0000780600000000, -0.0011709900000000 ] - [ -0.0007680200000000, -0.0010802000000000, -0.0015071700000000 ] - [ -0.0005497500000000, -0.0004875200000000, -0.0011742700000000 ] - [ -0.0018636900000000, 0.0052059200000000, 0.0023441700000000 ] - [ 0.0006142000000000, 0.0005651400000000, -0.0014874500000000 ] - [ 0.0005010800000000, -0.0006231700000000, 0.0011161900000000 ] - [ 0.0002743900000000, -0.0002482400000000, -0.0005906000000000 ] - [ 0.0002612400000000, -0.0004247700000000, -0.0000576600000000 ] - [ 0.0001872300000000, -0.0004462700000000, -0.0000553000000000 ] - [ -0.0001741300000000, 0.0007232600000000, -0.0002417900000000 ] - [ -0.0001905600000000, -0.0002834100000000, -0.0002397600000000 ] - [ 0.0041224500000000, -0.0009188900000000, -0.0124752100000000 ] - [ 0.0005242700000000, 0.0006723500000000, -0.0011354700000000 ] - [ 0.0014180200000000, 0.0003315700000000, -0.0012188000000000 ] - [ 0.0001989700000000, 0.0005437500000000, -0.0005181000000000 ] - [ 0.0007697700000000, -0.0002032100000000, 0.0005224400000000 ] - [ -0.0006797100000000, -0.0006047500000000, -0.0009524700000000 ] - [ -0.0005380000000000, 0.0002031400000000, 0.0002989900000000 ] - [ -0.0005086100000000, -0.0002095300000000, -0.0005397600000000 ] - [ -0.0001826500000000, -0.0001035200000000, -0.0007484400000000 ] - [ 0.0001605500000000, -0.0001064000000000, -0.0006794400000000 ] - [ 0.0007419900000000, -0.0009574400000000, 0.0010068700000000 ] - [ 0.0000094800000000, -0.0000171100000000, 0.0003336200000000 ] - [ -0.0008903900000000, 0.0005069500000000, -0.0004215600000000 ] - [ 0.0002208000000000, -0.0000243200000000, -0.0004209500000000 ] - [ -0.0001437100000000, -0.0000934800000000, -0.0003085800000000 ] - [ 0.0002391200000000, -0.0001459900000000, -0.0003091300000000 ] - [ -0.0000988300000000, -0.0001877600000000, -0.0009449300000000 ] - [ -0.0001099800000000, 0.0014796400000000, -0.0015620500000000 ] - [ 0.0000653200000000, -0.0003094700000000, -0.0001761400000000 ] - [ 0.0006618400000000, -0.0000502500000000, -0.0001748500000000 ] - [ 0.0003074600000000, 0.0000666000000000, -0.0003945300000000 ] - [ -0.0001126600000000, 0.0001952300000000, -0.0001297200000000 ] - [ 0.0002288400000000, 0.0000298300000000, -0.0003942300000000 ] - [ -0.0009556700000000, -0.0003961600000000, -0.0001297500000000 ] - [ 0.0003171900000000, 0.0003292400000000, -0.0006779100000000 ] - [ -0.0000416000000000, -0.0000017000000000, 0.0004533800000000 ] - [ -0.0010601200000000, -0.0007734800000000, -0.0014103200000000 ] - [ 0.0000836600000000, -0.0000123300000000, 0.0005161200000000 ] - [ 0.0020524500000000, 0.0002751100000000, 0.0012258300000000 ] - [ -0.0001313100000000, -0.0000636300000000, 0.0005506000000000 ] - [ -0.0002531300000000, 0.0001404600000000, -0.0001777100000000 ] - [ 0.0000775400000000, 0.0000760800000000, 0.0004121400000000 ] - [ -0.0004598700000000, -0.0000418600000000, 0.0010373300000000 ] - [ 0.0006356700000000, -0.0010992300000000, 0.0006569200000000 ] - [ -0.0003244800000000, -0.0007608900000000, -0.0035490400000000 ] - [ 0.0006473700000000, 0.0005016000000000, 0.0023820600000000 ] - [ -0.0002238300000000, -0.0006902600000000, 0.0015495400000000 ] - [ -0.0021060300000000, 0.0005249600000000, 0.0006532600000000 ] - [ -0.0017324900000000, -0.0026955700000000, 0.0045978500000000 ] - [ 0.0008474100000000, 0.0009526900000000, 0.0062459700000000 ] - [ 0.0010619300000000, 0.0054793300000000, -0.0135819300000000 ] - [ 0.0004271000000000, -0.0003840300000000, 0.0026263600000000 ] - [ 0.0008235900000000, 0.0012048900000000, 0.0027912200000000 ] - [ 0.0003037300000000, -0.0013450400000000, 0.0009483400000000 ] - [ 0.0016535800000000, -0.0023719800000000, -0.0143415200000000 ] - [ -0.0004498700000000, -0.0007311700000000, 0.0026160900000000 ] - [ -0.0009595400000000, 0.0009513300000000, -0.0043236900000000 ] - [ -0.0003715800000000, 0.0004266700000000, 0.0020794900000000 ]- atom: 13 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0003996400000000, 0.0003886400000000, 0.0002351100000000 ] - [ -0.0028295100000000, -0.0035150600000000, -0.0001948600000000 ] - [ -0.0028295100000000, 0.0035150600000000, 0.0001948600000000 ] - [ -0.0003996400000000, -0.0003886400000000, -0.0002351100000000 ] - [ 0.0002002300000000, 0.0004485800000000, 0.0000708100000000 ] - [ 0.0000168400000000, 0.0004117900000000, 0.0018656200000000 ] - [ 0.0004139500000000, -0.0004087500000000, 0.0003133000000000 ] - [ 0.0011872400000000, -0.0003787600000000, 0.0005921400000000 ] - [ 0.0005012300000000, -0.0005544700000000, -0.0001032200000000 ] - [ 0.0001840100000000, -0.0002814100000000, 0.0000601100000000 ] - [ -0.0005760200000000, 0.0022481500000000, 0.0002753200000000 ] - [ -0.0001705500000000, 0.0002157700000000, 0.0000573600000000 ] - [ -0.0343395700000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0005162800000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0023964900000000, -0.0023459100000000, -0.0006074600000000 ] - [ -0.0000158100000000, 0.0005245900000000, 0.0000247600000000 ] - [ 0.0023964900000000, 0.0023459100000000, 0.0006074600000000 ] - [ -0.0000158100000000, -0.0005245900000000, -0.0000247600000000 ] - [ 0.0012027100000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0005106200000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0001661100000000, 0.0000834100000000, -0.0004354000000000 ] - [ -0.0000347500000000, -0.0000442800000000, -0.0005964400000000 ] - [ -0.0000347500000000, 0.0000442800000000, 0.0005964400000000 ] - [ 0.0001661100000000, -0.0000834100000000, 0.0004354000000000 ] - [ -0.0002660700000000, -0.0025293500000000, 0.0027774700000000 ] - [ -0.0002650800000000, 0.0001697300000000, 0.0000240000000000 ] - [ 0.0006314500000000, -0.0000343900000000, -0.0000394600000000 ] - [ -0.0001171000000000, -0.0002407100000000, -0.0000715900000000 ] - [ -0.0015154200000000, 0.0006922200000000, 0.0035792200000000 ] - [ 0.0001091200000000, 0.0003616100000000, -0.0000557500000000 ] - [ 0.0018667800000000, 0.0006661700000000, 0.0009365500000000 ] - [ 0.0002611600000000, -0.0001580600000000, 0.0000458600000000 ] - [ -0.0003926800000000, -0.0000883200000000, -0.0003778300000000 ] - [ 0.0002798400000000, 0.0001470000000000, 0.0000246600000000 ] - [ 0.0003899000000000, 0.0000468900000000, -0.0002519300000000 ] - [ -0.0002602700000000, -0.0001683800000000, -0.0000368800000000 ] - [ -0.0001823700000000, 0.0002990500000000, -0.0000786700000000 ] - [ -0.0002836300000000, 0.0003711200000000, 0.0002704300000000 ] - [ -0.0002836300000000, -0.0003711200000000, -0.0002704300000000 ] - [ -0.0001823700000000, -0.0002990500000000, 0.0000786700000000 ] - [ 0.0011872400000000, 0.0003787600000000, -0.0005921400000000 ] - [ 0.0004139500000000, 0.0004087500000000, -0.0003133000000000 ] - [ 0.0000168400000000, -0.0004117900000000, -0.0018656200000000 ] - [ 0.0002002300000000, -0.0004485800000000, -0.0000708100000000 ] - [ 0.0001091200000000, -0.0003616100000000, 0.0000557500000000 ] - [ -0.0015154200000000, -0.0006922200000000, -0.0035792200000000 ] - [ -0.0001171000000000, 0.0002407100000000, 0.0000715900000000 ] - [ 0.0006314500000000, 0.0000343900000000, 0.0000394600000000 ] - [ 0.0006232700000000, -0.0000578200000000, 0.0000460400000000 ] - [ 0.0006232700000000, 0.0000578200000000, -0.0000460400000000 ] - [ -0.0000954100000000, 0.0004417200000000, 0.0003227300000000 ] - [ 0.0002126300000000, 0.0004416600000000, -0.0003351600000000 ] - [ 0.0002126300000000, -0.0004416600000000, 0.0003351600000000 ] - [ -0.0000954100000000, -0.0004417200000000, -0.0003227300000000 ] - [ -0.0006690200000000, 0.0002867600000000, 0.0001751300000000 ] - [ -0.0006690200000000, -0.0002867600000000, -0.0001751300000000 ] - [ -0.0000204900000000, -0.0000293200000000, -0.0005949600000000 ] - [ 0.0039858600000000, 0.0007443200000000, 0.0033912300000000 ] - [ 0.0039858600000000, -0.0007443200000000, -0.0033912300000000 ] - [ -0.0000204900000000, 0.0000293200000000, 0.0005949600000000 ] - [ -0.0002602700000000, 0.0001683800000000, 0.0000368800000000 ] - [ 0.0003899000000000, -0.0000468900000000, 0.0002519300000000 ] - [ -0.0001705500000000, -0.0002157700000000, -0.0000573600000000 ] - [ -0.0005760200000000, -0.0022481500000000, -0.0002753200000000 ] - [ 0.0001840100000000, 0.0002814100000000, -0.0000601100000000 ] - [ 0.0005012300000000, 0.0005544700000000, 0.0001032200000000 ] - [ 0.0002798400000000, -0.0001470000000000, -0.0000246600000000 ] - [ -0.0003926800000000, 0.0000883200000000, 0.0003778300000000 ] - [ 0.0002611600000000, 0.0001580600000000, -0.0000458600000000 ] - [ 0.0018667800000000, -0.0006661700000000, -0.0009365500000000 ] - [ -0.0002650800000000, -0.0001697300000000, -0.0000240000000000 ] - [ -0.0002660700000000, 0.0025293500000000, -0.0027774700000000 ] - [ 0.0109421600000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0000037900000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0001129300000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0000020100000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0000114500000000, -0.0000696900000000, 0.0001272200000000 ] - [ -0.0000114500000000, 0.0000696900000000, -0.0001272200000000 ] - [ -0.0001567400000000, 0.0000567800000000, -0.0003755500000000 ] - [ -0.0001567400000000, -0.0000567800000000, 0.0003755500000000 ] - [ 0.0008910200000000, -0.0006456600000000, 0.0001583000000000 ] - [ 0.0023364600000000, 0.0019642000000000, 0.0019406800000000 ] - [ 0.0023364600000000, -0.0019642000000000, -0.0019406800000000 ] - [ 0.0008910200000000, 0.0006456600000000, -0.0001583000000000 ] - [ -0.0003328500000000, -0.0004236400000000, -0.0000898400000000 ] - [ 0.0116213500000000, -0.0062992500000000, 0.0063652800000000 ] - [ -0.0007550700000000, 0.0004587400000000, -0.0001676000000000 ] - [ -0.0029658900000000, -0.0000265400000000, 0.0004288000000000 ] - [ -0.0052569800000000, 0.0010836000000000, 0.0010719600000000 ] - [ 0.0003388200000000, -0.0004687800000000, -0.0001775400000000 ] - [ 0.0003388200000000, 0.0004687800000000, 0.0001775400000000 ] - [ -0.0052569800000000, -0.0010836000000000, -0.0010719600000000 ] - [ -0.0029658900000000, 0.0000265400000000, -0.0004288000000000 ] - [ -0.0007550700000000, -0.0004587400000000, 0.0001676000000000 ] - [ 0.0116213500000000, 0.0062992500000000, -0.0063652800000000 ] - [ -0.0003328500000000, 0.0004236400000000, 0.0000898400000000 ]- atom: 13 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0004115300000000, 0.0004217700000000, 0.0003391300000000 ] - [ 0.0019794300000000, 0.0043659200000000, 0.0007903000000000 ] - [ 0.0019794300000000, -0.0043659200000000, -0.0007903000000000 ] - [ -0.0004115300000000, -0.0004217700000000, -0.0003391300000000 ] - [ 0.0006110500000000, 0.0003613300000000, -0.0006464500000000 ] - [ 0.0007831000000000, 0.0003986500000000, -0.0024092700000000 ] - [ 0.0003957900000000, -0.0004016100000000, 0.0002614800000000 ] - [ -0.0003771100000000, -0.0004277200000000, -0.0000235600000000 ] - [ -0.0001725200000000, 0.0000434200000000, 0.0002290600000000 ] - [ 0.0001444300000000, -0.0002345100000000, 0.0000638500000000 ] - [ 0.0002426200000000, -0.0017100500000000, -0.0001501700000000 ] - [ -0.0001584800000000, 0.0002991600000000, 0.0000668400000000 ] - [ 0.0345547900000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0005242800000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0024167700000000, 0.0034380700000000, 0.0005965600000000 ] - [ 0.0000157400000000, 0.0005160800000000, -0.0000241700000000 ] - [ -0.0024167700000000, -0.0034380700000000, -0.0005965600000000 ] - [ 0.0000157400000000, -0.0005160800000000, 0.0000241700000000 ] - [ -0.0022288900000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0005299800000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0001713200000000, -0.0000865400000000, -0.0006950000000000 ] - [ 0.0000333000000000, 0.0000433300000000, -0.0005342900000000 ] - [ 0.0000333000000000, -0.0000433300000000, 0.0005342900000000 ] - [ -0.0001713200000000, 0.0000865400000000, 0.0006950000000000 ] - [ -0.0002552700000000, 0.0028279000000000, -0.0026235100000000 ] - [ -0.0002519300000000, 0.0001595200000000, 0.0000997000000000 ] - [ -0.0009605300000000, -0.0004857900000000, -0.0000808400000000 ] - [ -0.0002124500000000, -0.0002742900000000, -0.0000532200000000 ] - [ 0.0018105600000000, -0.0001885900000000, -0.0037236500000000 ] - [ 0.0002189600000000, 0.0001550500000000, -0.0000670000000000 ] - [ -0.0013512200000000, -0.0009822500000000, -0.0008002700000000 ] - [ 0.0002528300000000, -0.0001703200000000, 0.0000783700000000 ] - [ 0.0009154200000000, 0.0004200000000000, 0.0002542200000000 ] - [ 0.0002364000000000, 0.0001817400000000, -0.0001477700000000 ] - [ -0.0008758000000000, -0.0003679500000000, 0.0001219100000000 ] - [ -0.0002550300000000, -0.0001608600000000, -0.0000876400000000 ] - [ -0.0006297200000000, 0.0005135500000000, 0.0006593600000000 ] - [ -0.0005266600000000, 0.0004400700000000, 0.0003027600000000 ] - [ -0.0005266600000000, -0.0004400700000000, -0.0003027600000000 ] - [ -0.0006297200000000, -0.0005135500000000, -0.0006593600000000 ] - [ -0.0003771100000000, 0.0004277200000000, 0.0000235600000000 ] - [ 0.0003957900000000, 0.0004016100000000, -0.0002614800000000 ] - [ 0.0007831000000000, -0.0003986500000000, 0.0024092700000000 ] - [ 0.0006110500000000, -0.0003613300000000, 0.0006464500000000 ] - [ 0.0002189600000000, -0.0001550500000000, 0.0000670000000000 ] - [ 0.0018105600000000, 0.0001885900000000, 0.0037236500000000 ] - [ -0.0002124500000000, 0.0002742900000000, 0.0000532200000000 ] - [ -0.0009605300000000, 0.0004857900000000, 0.0000808400000000 ] - [ 0.0004175400000000, 0.0000575500000000, -0.0000449600000000 ] - [ 0.0004175400000000, -0.0000575500000000, 0.0000449600000000 ] - [ 0.0000919500000000, 0.0005983700000000, -0.0003189600000000 ] - [ -0.0002163800000000, 0.0005983000000000, 0.0003367900000000 ] - [ -0.0002163800000000, -0.0005983000000000, -0.0003367900000000 ] - [ 0.0000919500000000, -0.0005983700000000, 0.0003189600000000 ] - [ -0.0003720900000000, -0.0002865200000000, -0.0001774600000000 ] - [ -0.0003720900000000, 0.0002865200000000, 0.0001774600000000 ] - [ 0.0000210500000000, 0.0000297200000000, -0.0005355400000000 ] - [ -0.0040299100000000, -0.0007332700000000, -0.0046023000000000 ] - [ -0.0040299100000000, 0.0007332700000000, 0.0046023000000000 ] - [ 0.0000210500000000, -0.0000297200000000, 0.0005355400000000 ] - [ -0.0002550300000000, 0.0001608600000000, 0.0000876400000000 ] - [ -0.0008758000000000, 0.0003679500000000, -0.0001219100000000 ] - [ -0.0001584800000000, -0.0002991600000000, -0.0000668400000000 ] - [ 0.0002426200000000, 0.0017100500000000, 0.0001501700000000 ] - [ 0.0001444300000000, 0.0002345100000000, -0.0000638500000000 ] - [ -0.0001725200000000, -0.0000434200000000, -0.0002290600000000 ] - [ 0.0002364000000000, -0.0001817400000000, 0.0001477700000000 ] - [ 0.0009154200000000, -0.0004200000000000, -0.0002542200000000 ] - [ 0.0002528300000000, 0.0001703200000000, -0.0000783700000000 ] - [ -0.0013512200000000, 0.0009822500000000, 0.0008002700000000 ] - [ -0.0002519300000000, -0.0001595200000000, -0.0000997000000000 ] - [ -0.0002552700000000, -0.0028279000000000, 0.0026235100000000 ] - [ -0.0100440900000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000020800000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0001196000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000011100000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000090200000000, 0.0000680400000000, -0.0001265500000000 ] - [ 0.0000090200000000, -0.0000680400000000, 0.0001265500000000 ] - [ 0.0001596000000000, -0.0000569700000000, 0.0003733200000000 ] - [ 0.0001596000000000, 0.0000569700000000, -0.0003733200000000 ] - [ 0.0000359700000000, -0.0002789200000000, -0.0003173100000000 ] - [ -0.0013965800000000, -0.0028833000000000, -0.0021160100000000 ] - [ -0.0013965800000000, 0.0028833000000000, 0.0021160100000000 ] - [ 0.0000359700000000, 0.0002789200000000, 0.0003173100000000 ] - [ -0.0005898900000000, -0.0004969200000000, 0.0002566900000000 ] - [ -0.0124420200000000, 0.0052999200000000, -0.0061248700000000 ] - [ -0.0001651300000000, 0.0004625400000000, -0.0000029300000000 ] - [ 0.0020315100000000, 0.0009368600000000, -0.0005775500000000 ] - [ 0.0061720800000000, -0.0020252400000000, -0.0012570200000000 ] - [ 0.0005801800000000, -0.0004530300000000, 0.0000126300000000 ] - [ 0.0005801800000000, 0.0004530300000000, -0.0000126300000000 ] - [ 0.0061720800000000, 0.0020252400000000, 0.0012570200000000 ] - [ 0.0020315100000000, -0.0009368600000000, 0.0005775500000000 ] - [ -0.0001651300000000, -0.0004625400000000, 0.0000029300000000 ] - [ -0.0124420200000000, -0.0052999200000000, 0.0061248700000000 ] - [ -0.0005898900000000, 0.0004969200000000, -0.0002566900000000 ]- atom: 13 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0001589600000000, 0.0001723800000000, -0.0010948400000000 ] - [ -0.0043254600000000, 0.0178637700000000, 0.0110393700000000 ] - [ 0.0036255400000000, 0.0174843500000000, 0.0106085500000000 ] - [ -0.0006437100000000, -0.0006301700000000, -0.0016718600000000 ] - [ 0.0003493800000000, 0.0001769600000000, -0.0003585300000000 ] - [ 0.0021748500000000, 0.0011060100000000, -0.0093122100000000 ] - [ 0.0002433900000000, -0.0002289400000000, -0.0006546500000000 ] - [ 0.0005610800000000, -0.0005005200000000, 0.0018019200000000 ] - [ -0.0000267400000000, 0.0011579900000000, 0.0007449300000000 ] - [ 0.0001553000000000, -0.0001912300000000, -0.0002341200000000 ] - [ -0.0011651400000000, 0.0085144000000000, 0.0006827700000000 ] - [ -0.0003064200000000, 0.0007365300000000, -0.0003339000000000 ] - [ 0.0007034100000000, -0.0732180400000000, 0.0277637600000000 ] - [ 0.0005179200000000, 0.0002055500000000, -0.0006821800000000 ] - [ -0.0066501000000000, 0.0029323300000000, 0.0046224300000000 ] - [ 0.0003425100000000, 0.0005029700000000, -0.0007132300000000 ] - [ 0.0065899500000000, 0.0018824000000000, 0.0045924300000000 ] - [ -0.0003426900000000, -0.0005326000000000, -0.0007134400000000 ] - [ -0.0005203400000000, -0.0006116700000000, 0.0007803900000000 ] - [ -0.0005178000000000, -0.0004791200000000, -0.0007427400000000 ] - [ 0.0006305500000000, 0.0015885100000000, -0.0004608200000000 ] - [ 0.0003658800000000, 0.0004550100000000, -0.0007713700000000 ] - [ -0.0003633900000000, 0.0004524200000000, 0.0003753700000000 ] - [ -0.0006281700000000, 0.0015901600000000, 0.0006843400000000 ] - [ -0.0062268600000000, 0.0016483100000000, -0.0019129000000000 ] - [ -0.0003333800000000, 0.0001496200000000, -0.0002046800000000 ] - [ -0.0004998300000000, -0.0015320200000000, 0.0001427600000000 ] - [ -0.0001236200000000, -0.0003811200000000, -0.0002706200000000 ] - [ -0.0007732400000000, -0.0054538000000000, 0.0008427400000000 ] - [ 0.0001251100000000, -0.0004132200000000, -0.0007333000000000 ] - [ 0.0008241600000000, -0.0003992000000000, 0.0010063400000000 ] - [ 0.0005905900000000, -0.0003135100000000, -0.0003631800000000 ] - [ 0.0001400900000000, 0.0005546000000000, 0.0007109100000000 ] - [ -0.0002156100000000, 0.0001714000000000, -0.0007418500000000 ] - [ 0.0048783100000000, 0.0018005800000000, -0.0014708100000000 ] - [ -0.0002067900000000, -0.0000631500000000, -0.0002603600000000 ] - [ -0.0004001700000000, 0.0003827200000000, 0.0007547000000000 ] - [ -0.0003876000000000, 0.0001581200000000, -0.0008615100000000 ] - [ -0.0004154000000000, -0.0006424500000000, -0.0014365900000000 ] - [ -0.0004009600000000, -0.0004169900000000, 0.0001856900000000 ] - [ 0.0002385300000000, 0.0003053500000000, 0.0012221800000000 ] - [ 0.0005577400000000, 0.0005723900000000, -0.0012276300000000 ] - [ -0.0013605700000000, 0.0003007100000000, -0.0086773000000000 ] - [ 0.0004530100000000, -0.0006199000000000, 0.0002207300000000 ] - [ 0.0001961700000000, -0.0009279700000000, -0.0006105900000000 ] - [ 0.0010891800000000, -0.0059566700000000, 0.0010444700000000 ] - [ -0.0001979600000000, 0.0001377300000000, -0.0001490900000000 ] - [ 0.0001794000000000, -0.0010215500000000, 0.0002691900000000 ] - [ 0.0005754200000000, 0.0007174800000000, -0.0006230300000000 ] - [ 0.0004600000000000, 0.0007187500000000, -0.0006231300000000 ] - [ -0.0001860100000000, 0.0007340700000000, -0.0007810500000000 ] - [ -0.0001877700000000, 0.0004269100000000, 0.0002441100000000 ] - [ 0.0001874700000000, -0.0006126500000000, 0.0002406800000000 ] - [ 0.0001891700000000, -0.0003031500000000, -0.0007797800000000 ] - [ -0.0008036900000000, 0.0010643200000000, 0.0001512900000000 ] - [ -0.0002304800000000, 0.0010685900000000, 0.0001516200000000 ] - [ -0.0000382100000000, -0.0001844300000000, -0.0008542000000000 ] - [ -0.0045067200000000, -0.0058112800000000, -0.0004484600000000 ] - [ 0.0045239800000000, -0.0057815200000000, 0.0006627900000000 ] - [ 0.0000384900000000, -0.0001852500000000, 0.0002935600000000 ] - [ -0.0003124300000000, 0.0002576300000000, -0.0001383900000000 ] - [ -0.0054334500000000, 0.0021329100000000, -0.0013545500000000 ] - [ -0.0000150700000000, 0.0002166400000000, -0.0004564800000000 ] - [ 0.0008467900000000, 0.0080098400000000, 0.0005590600000000 ] - [ 0.0001648300000000, 0.0003263800000000, -0.0003575800000000 ] - [ 0.0003458000000000, 0.0016833800000000, 0.0006218400000000 ] - [ 0.0007310100000000, -0.0001489700000000, -0.0006166600000000 ] - [ 0.0003750700000000, 0.0002422400000000, 0.0008351900000000 ] - [ -0.0000715200000000, 0.0000078000000000, -0.0004861500000000 ] - [ -0.0003125600000000, -0.0000638900000000, 0.0008905200000000 ] - [ -0.0001845400000000, -0.0001713200000000, -0.0003286200000000 ] - [ 0.0057525800000000, 0.0013127200000000, -0.0020355200000000 ] - [ 0.0000070500000000, 0.0030472900000000, -0.0019794300000000 ] - [ -0.0000008800000000, 0.0001102400000000, 0.0004928200000000 ] - [ 0.0000040900000000, -0.0024445700000000, -0.0013339500000000 ] - [ -0.0000000400000000, -0.0000983800000000, 0.0004941400000000 ] - [ -0.0001539400000000, -0.0007327200000000, 0.0004410900000000 ] - [ 0.0001552000000000, -0.0007365000000000, 0.0004430400000000 ] - [ 0.0003261300000000, 0.0005541600000000, 0.0004135700000000 ] - [ -0.0003233300000000, 0.0005575700000000, 0.0004072800000000 ] - [ 0.0013304000000000, -0.0018072300000000, 0.0042791200000000 ] - [ 0.0006943000000000, -0.0035229100000000, -0.0091862900000000 ] - [ 0.0002223100000000, -0.0025083100000000, -0.0090518500000000 ] - [ -0.0004137800000000, -0.0008854500000000, 0.0044489600000000 ] - [ -0.0005325500000000, -0.0000821000000000, 0.0021516500000000 ] - [ -0.0016358000000000, 0.0159187300000000, -0.0102971800000000 ] - [ -0.0003734600000000, -0.0000889400000000, 0.0011446400000000 ] - [ -0.0007165500000000, -0.0017216500000000, 0.0005887700000000 ] - [ 0.0010555600000000, 0.0027768000000000, -0.0057136600000000 ] - [ 0.0005949200000000, -0.0001321500000000, 0.0024735800000000 ] - [ 0.0003307200000000, 0.0007897700000000, 0.0026313200000000 ] - [ -0.0001317500000000, 0.0036648800000000, -0.0055581200000000 ] - [ -0.0001996300000000, -0.0026564600000000, 0.0007548400000000 ] - [ -0.0005508000000000, -0.0010180100000000, 0.0012977900000000 ] - [ 0.0004540900000000, 0.0160476900000000, -0.0095287400000000 ] - [ -0.0003915500000000, 0.0008416000000000, 0.0019878500000000 ]- atom: 13 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ -0.0008302800000000, 0.0008131800000000, 0.0027425200000000 ] - [ 0.0010167500000000, 0.0006728100000000, -0.0094703000000000 ] - [ -0.0018220700000000, -0.0002333200000000, -0.0100761400000000 ] - [ 0.0000280100000000, 0.0000114800000000, 0.0021659800000000 ] - [ -0.0000273500000000, 0.0006806500000000, 0.0017934400000000 ] - [ -0.0012072000000000, -0.0003558500000000, 0.0080494100000000 ] - [ 0.0007198800000000, -0.0007318400000000, 0.0022099000000000 ] - [ -0.0001916200000000, 0.0000595900000000, -0.0031579300000000 ] - [ 0.0002467900000000, -0.0010450800000000, -0.0008669200000000 ] - [ 0.0000974000000000, -0.0001155900000000, 0.0006459800000000 ] - [ 0.0005284500000000, -0.0073964200000000, -0.0011208300000000 ] - [ 0.0000411800000000, -0.0002281500000000, 0.0008069300000000 ] - [ 0.0007639000000000, 0.0277652500000000, -0.0689383900000000 ] - [ 0.0005200100000000, -0.0006822300000000, 0.0015041000000000 ] - [ 0.0046123400000000, -0.0000950500000000, -0.0065763200000000 ] - [ -0.0007135500000000, 0.0005447700000000, 0.0013960700000000 ] - [ -0.0046020900000000, -0.0011083800000000, -0.0066025500000000 ] - [ 0.0007127100000000, -0.0004951800000000, 0.0013952600000000 ] - [ -0.0005227100000000, -0.0007806200000000, -0.0026284200000000 ] - [ -0.0005198300000000, 0.0007420100000000, 0.0013372200000000 ] - [ 0.0004212000000000, -0.0003848300000000, -0.0007835600000000 ] - [ -0.0003729700000000, -0.0003639600000000, -0.0001507300000000 ] - [ 0.0003755100000000, -0.0003662400000000, 0.0009945800000000 ] - [ -0.0004221600000000, -0.0003804000000000, 0.0003663800000000 ] - [ 0.0058606600000000, -0.0021381600000000, 0.0008301600000000 ] - [ -0.0001219700000000, 0.0001222400000000, 0.0007149000000000 ] - [ 0.0000781100000000, 0.0004012000000000, -0.0003660000000000 ] - [ -0.0003235300000000, -0.0003494500000000, 0.0004807500000000 ] - [ 0.0042125600000000, 0.0075314500000000, 0.0127253000000000 ] - [ 0.0002710500000000, 0.0008323600000000, 0.0010732100000000 ] - [ 0.0014436900000000, 0.0002390600000000, -0.0009671800000000 ] - [ -0.0002610600000000, 0.0000266500000000, 0.0007856500000000 ] - [ -0.0006446700000000, 0.0002049800000000, -0.0005922200000000 ] - [ 0.0009166400000000, 0.0002245200000000, 0.0008909200000000 ] - [ -0.0056602300000000, -0.0021724200000000, 0.0011570400000000 ] - [ -0.0003268000000000, -0.0002707300000000, 0.0004601000000000 ] - [ -0.0005148900000000, 0.0005558800000000, 0.0003150500000000 ] - [ -0.0004692400000000, 0.0006411700000000, 0.0019005600000000 ] - [ -0.0003344200000000, -0.0001607600000000, 0.0013223000000000 ] - [ -0.0002859900000000, -0.0002446400000000, -0.0002503400000000 ] - [ 0.0009936800000000, 0.0008638000000000, -0.0037409600000000 ] - [ 0.0000812800000000, 0.0000691200000000, 0.0016366700000000 ] - [ 0.0020155600000000, -0.0011535600000000, 0.0086502200000000 ] - [ 0.0008279500000000, -0.0001252500000000, 0.0023700200000000 ] - [ 0.0000528000000000, 0.0003179700000000, 0.0011960900000000 ] - [ -0.0037918800000000, 0.0069087500000000, 0.0125484800000000 ] - [ -0.0000004900000000, 0.0001671100000000, 0.0006002500000000 ] - [ -0.0004034700000000, 0.0009114900000000, -0.0002398600000000 ] - [ 0.0004741700000000, -0.0006232500000000, 0.0007504600000000 ] - [ 0.0005653000000000, -0.0006238300000000, 0.0007537500000000 ] - [ 0.0002451400000000, 0.0001833500000000, 0.0009030500000000 ] - [ -0.0007810000000000, 0.0008397300000000, 0.0009085100000000 ] - [ 0.0007798000000000, -0.0001972800000000, 0.0009020100000000 ] - [ -0.0002399000000000, -0.0008551200000000, 0.0009075000000000 ] - [ -0.0003423100000000, -0.0001560700000000, 0.0008203500000000 ] - [ -0.0006953600000000, -0.0001484800000000, 0.0008261500000000 ] - [ -0.0000898000000000, 0.0000528900000000, -0.0000401500000000 ] - [ 0.0086114500000000, 0.0046091800000000, 0.0015378400000000 ] - [ -0.0086983500000000, 0.0046457000000000, 0.0026987100000000 ] - [ 0.0000891400000000, 0.0000528000000000, 0.0011059400000000 ] - [ -0.0001909900000000, 0.0000539100000000, 0.0005794100000000 ] - [ 0.0051043300000000, -0.0018365100000000, 0.0012694300000000 ] - [ -0.0003655000000000, -0.0007442100000000, 0.0006863300000000 ] - [ -0.0008424100000000, -0.0078414000000000, -0.0012327300000000 ] - [ 0.0002255500000000, 0.0003994300000000, 0.0005243800000000 ] - [ 0.0000768800000000, -0.0005239900000000, -0.0009840400000000 ] - [ -0.0004037000000000, -0.0000993700000000, 0.0010132300000000 ] - [ 0.0011596800000000, -0.0001151400000000, -0.0004640500000000 ] - [ 0.0007778500000000, 0.0003506400000000, 0.0006650300000000 ] - [ -0.0009368900000000, 0.0005695600000000, -0.0010727600000000 ] - [ -0.0003926200000000, -0.0002012400000000, 0.0005936400000000 ] - [ -0.0063310600000000, -0.0024619100000000, 0.0007269200000000 ] - [ 0.0000092300000000, -0.0014932500000000, 0.0042100300000000 ] - [ -0.0000003500000000, -0.0000668800000000, -0.0009644000000000 ] - [ -0.0000005000000000, 0.0012511900000000, 0.0023625000000000 ] - [ 0.0000001300000000, 0.0000549500000000, -0.0009302800000000 ] - [ 0.0003168000000000, 0.0005058200000000, -0.0007072900000000 ] - [ -0.0003156500000000, 0.0005021400000000, -0.0007082300000000 ] - [ -0.0009811200000000, -0.0001863000000000, -0.0011762900000000 ] - [ 0.0009747900000000, -0.0001857300000000, -0.0011774000000000 ] - [ -0.0004496300000000, 0.0007606700000000, -0.0064378200000000 ] - [ 0.0017459900000000, -0.0049424200000000, 0.0026716400000000 ] - [ -0.0008259000000000, -0.0040125200000000, 0.0029265200000000 ] - [ 0.0013639300000000, 0.0016745100000000, -0.0062719200000000 ] - [ -0.0001578600000000, -0.0007443700000000, -0.0050178400000000 ] - [ 0.0005048500000000, -0.0073350300000000, 0.0207839200000000 ] - [ -0.0009860500000000, 0.0007327400000000, -0.0034006200000000 ] - [ 0.0002618900000000, 0.0023598100000000, 0.0008506700000000 ] - [ 0.0023256600000000, -0.0043523900000000, 0.0073636400000000 ] - [ 0.0003395500000000, -0.0006636200000000, -0.0045239700000000 ] - [ 0.0005844600000000, 0.0002581500000000, -0.0043651500000000 ] - [ -0.0014020200000000, -0.0034307000000000, 0.0074866500000000 ] - [ -0.0011724300000000, 0.0014395600000000, 0.0010328300000000 ] - [ 0.0000626000000000, -0.0001912300000000, -0.0032507900000000 ] - [ -0.0017033000000000, -0.0073733100000000, 0.0215037300000000 ] - [ -0.0007620800000000, 0.0001794600000000, -0.0051758100000000 ]- atom: 21 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0003544200000000, 0.0003480900000000, -0.0000320700000000 ] - [ -0.0007262000000000, -0.0000243300000000, 0.0011531300000000 ] - [ 0.0012798100000000, 0.0017566300000000, 0.0078916500000000 ] - [ -0.0005367600000000, -0.0005007200000000, -0.0007489200000000 ] - [ 0.0024539100000000, 0.0024798200000000, -0.0074796800000000 ] - [ 0.0003074400000000, 0.0003088200000000, 0.0002856600000000 ] - [ 0.0004468500000000, -0.0004535300000000, 0.0006056600000000 ] - [ 0.0000653000000000, -0.0008222700000000, -0.0005750300000000 ] - [ 0.0114560500000000, -0.0077638400000000, -0.0036065800000000 ] - [ 0.0001969600000000, -0.0003271700000000, 0.0000762700000000 ] - [ 0.0109253200000000, -0.0071667200000000, 0.0036515500000000 ] - [ -0.0001265800000000, 0.0001877800000000, 0.0000439100000000 ] - [ 0.0006911200000000, 0.0006286000000000, 0.0004204200000000 ] - [ 0.0004871000000000, 0.0003640700000000, -0.0003732000000000 ] - [ 0.0015892100000000, 0.0006034200000000, -0.0003852900000000 ] - [ 0.0004526900000000, 0.0004767500000000, -0.0003640500000000 ] - [ 0.0015892200000000, -0.0004327900000000, 0.0003792200000000 ] - [ 0.0004541300000000, -0.0005636000000000, 0.0003654500000000 ] - [ -0.0003521100000000, 0.0006304900000000, -0.0004238700000000 ] - [ -0.0005536400000000, 0.0003655000000000, 0.0003741700000000 ] - [ -0.0742168700000000, -0.0449138600000000, -0.0007371300000000 ] - [ -0.0001579700000000, -0.0001323100000000, -0.0005726800000000 ] - [ -0.0011290100000000, -0.0000001500000000, 0.0005669900000000 ] - [ -0.0003862500000000, -0.0000001100000000, 0.0005757800000000 ] - [ -0.0070687000000000, 0.0009495900000000, -0.0009459400000000 ] - [ -0.0003885500000000, 0.0001928600000000, 0.0000435000000000 ] - [ -0.0003927300000000, 0.0096609700000000, -0.0008252200000000 ] - [ -0.0001766000000000, -0.0001883200000000, -0.0000687500000000 ] - [ -0.0000650600000000, 0.0100986700000000, 0.0006982900000000 ] - [ 0.0001476200000000, 0.0003271100000000, -0.0000513200000000 ] - [ -0.0065592400000000, 0.0006932200000000, 0.0010712300000000 ] - [ 0.0001265000000000, -0.0001307900000000, 0.0000766800000000 ] - [ 0.0104493000000000, 0.0000428600000000, 0.0009132100000000 ] - [ 0.0003804900000000, 0.0001675000000000, -0.0000434100000000 ] - [ 0.0099551800000000, -0.0002808500000000, -0.0010358800000000 ] - [ -0.0001349600000000, -0.0001565900000000, -0.0000768100000000 ] - [ -0.0002052500000000, 0.0001477800000000, 0.0006654900000000 ] - [ -0.0003652500000000, 0.0003981000000000, 0.0002267500000000 ] - [ 0.0016617900000000, 0.0016865100000000, 0.0069469900000000 ] - [ -0.0004947900000000, -0.0004932800000000, -0.0008616400000000 ] - [ 0.0020768900000000, 0.0025630000000000, -0.0085240600000000 ] - [ 0.0002643000000000, 0.0003006200000000, 0.0001749500000000 ] - [ 0.0006058800000000, -0.0006572200000000, -0.0000875400000000 ] - [ 0.0004376000000000, -0.0004046700000000, 0.0003510100000000 ] - [ -0.0000989100000000, 0.0002226600000000, -0.0001006700000000 ] - [ -0.0000165200000000, 0.0000867600000000, 0.0002435800000000 ] - [ -0.0004259800000000, 0.0007417100000000, 0.0002193200000000 ] - [ -0.0003414600000000, 0.0006044200000000, -0.0001233800000000 ] - [ 0.0045430300000000, -0.0045319300000000, 0.0087011700000000 ] - [ 0.0004995300000000, -0.0000393400000000, -0.0000881300000000 ] - [ -0.0058107500000000, 0.0012354900000000, 0.0046161900000000 ] - [ -0.0001857900000000, 0.0004904700000000, 0.0000540000000000 ] - [ -0.0057824700000000, 0.0002424900000000, -0.0046391800000000 ] - [ -0.0001840900000000, -0.0005489200000000, -0.0000517400000000 ] - [ 0.0034738600000000, -0.0044993800000000, -0.0086098000000000 ] - [ -0.0005397900000000, -0.0000376100000000, 0.0000899600000000 ] - [ 0.0009783100000000, 0.0008711300000000, -0.0005727800000000 ] - [ 0.0009785000000000, 0.0008712200000000, -0.0005735600000000 ] - [ 0.0018534300000000, 0.0000002700000000, 0.0005714300000000 ] - [ 0.0000894900000000, 0.0000002200000000, 0.0005729400000000 ] - [ 0.0009420400000000, -0.0001836800000000, 0.0001672300000000 ] - [ 0.0003204500000000, -0.0000192400000000, 0.0001632800000000 ] - [ -0.0000142500000000, -0.0005208500000000, -0.0007293000000000 ] - [ -0.0000449400000000, -0.0007606900000000, 0.0006118800000000 ] - [ 0.0003079600000000, -0.0000077400000000, 0.0006101400000000 ] - [ 0.0002758700000000, -0.0002489900000000, -0.0007339400000000 ] - [ 0.0014625000000000, -0.0005071500000000, -0.0000455700000000 ] - [ 0.0008385700000000, -0.0003437600000000, -0.0000438500000000 ] - [ -0.0005565700000000, 0.0001124800000000, 0.0001914600000000 ] - [ -0.0005875300000000, 0.0001948300000000, -0.0006009900000000 ] - [ -0.0010677100000000, -0.0002101400000000, -0.0003156700000000 ] - [ -0.0010980100000000, -0.0001276800000000, 0.0004814600000000 ] - [ 0.0009848700000000, -0.0009793200000000, -0.0000025400000000 ] - [ 0.0001920100000000, -0.0001178600000000, -0.0000000500000000 ] - [ -0.0022013400000000, 0.0003858600000000, 0.0000055600000000 ] - [ -0.0002487200000000, 0.0001334100000000, -0.0000006300000000 ] - [ -0.0028852600000000, 0.0010578300000000, -0.0000038500000000 ] - [ -0.0001348300000000, 0.0000810100000000, -0.0000002800000000 ] - [ 0.0015527800000000, -0.0015126400000000, -0.0000004800000000 ] - [ 0.0001341800000000, -0.0000676700000000, -0.0000005900000000 ] - [ 0.0036434900000000, 0.0032055000000000, 0.0022928500000000 ] - [ 0.0011790100000000, 0.0000138000000000, -0.0009053900000000 ] - [ 0.0226265700000000, 0.0147356400000000, -0.0011970000000000 ] - [ 0.0006860700000000, 0.0005786400000000, 0.0001094200000000 ] - [ -0.0016262000000000, -0.0015520600000000, 0.0040708800000000 ] - [ -0.0024895900000000, -0.0020934300000000, -0.0037313600000000 ] - [ 0.0027604300000000, 0.0041269200000000, -0.0024278600000000 ] - [ 0.0002648700000000, 0.0009318500000000, 0.0007315500000000 ] - [ -0.0035356600000000, 0.0022210300000000, 0.0007276300000000 ] - [ 0.0001803500000000, -0.0006002200000000, -0.0001618800000000 ] - [ -0.0006970600000000, -0.0006315000000000, -0.0039293200000000 ] - [ -0.0015612300000000, -0.0011726600000000, 0.0039044700000000 ] - [ 0.0227754200000000, 0.0150737100000000, 0.0015483400000000 ] - [ -0.0002346300000000, -0.0003425700000000, 0.0000468400000000 ] - [ -0.0045410400000000, 0.0031489200000000, -0.0008800400000000 ] - [ -0.0007429800000000, 0.0003231600000000, -0.0000006100000000 ]- atom: 21 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ -0.0005765100000000, 0.0005765100000000, 0.0011963500000000 ] - [ 0.0000518100000000, -0.0000518100000000, 0.0007155400000000 ] - [ 0.0007807100000000, 0.0007807100000000, -0.0014531900000000 ] - [ -0.0003132500000000, -0.0003132500000000, 0.0004423700000000 ] - [ 0.0005482000000000, 0.0005482000000000, -0.0013624800000000 ] - [ 0.0003085700000000, 0.0003085700000000, 0.0003518900000000 ] - [ 0.0005765100000000, -0.0005765100000000, 0.0011963500000000 ] - [ -0.0000518100000000, 0.0000518100000000, 0.0007155400000000 ] - [ -0.0027330900000000, 0.0002267900000000, -0.0011656300000000 ] - [ 0.0001148300000000, -0.0001420800000000, 0.0003201700000000 ] - [ 0.0027330900000000, -0.0002267900000000, -0.0011656300000000 ] - [ -0.0001148300000000, 0.0001420800000000, 0.0003201700000000 ] - [ 0.0006505100000000, 0.0001103200000000, -0.0002084100000000 ] - [ 0.0004895600000000, -0.0001975100000000, 0.0004193300000000 ] - [ 0.0001103200000000, 0.0006505100000000, -0.0002084100000000 ] - [ -0.0001975100000000, 0.0004895600000000, 0.0004193300000000 ] - [ -0.0001103200000000, -0.0006505100000000, -0.0002084100000000 ] - [ 0.0001975100000000, -0.0004895600000000, 0.0004193300000000 ] - [ -0.0006505100000000, -0.0001103200000000, -0.0002084100000000 ] - [ -0.0004895600000000, 0.0001975100000000, 0.0004193300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0199609700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003759500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0011910100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0010386500000000 ] - [ 0.0002267900000000, -0.0027330900000000, -0.0011656300000000 ] - [ -0.0001420800000000, 0.0001148300000000, 0.0003201700000000 ] - [ -0.0002385300000000, 0.0009972100000000, -0.0004963300000000 ] - [ -0.0002141500000000, -0.0003685800000000, 0.0001771400000000 ] - [ 0.0002385300000000, -0.0009972100000000, -0.0004963300000000 ] - [ 0.0002141500000000, 0.0003685800000000, 0.0001771400000000 ] - [ -0.0002267900000000, 0.0027330900000000, -0.0011656300000000 ] - [ 0.0001420800000000, -0.0001148300000000, 0.0003201700000000 ] - [ -0.0009972100000000, 0.0002385300000000, -0.0004963300000000 ] - [ 0.0003685800000000, 0.0002141500000000, 0.0001771400000000 ] - [ 0.0009972100000000, -0.0002385300000000, -0.0004963300000000 ] - [ -0.0003685800000000, -0.0002141500000000, 0.0001771400000000 ] - [ 0.0000733700000000, -0.0000733700000000, -0.0013081900000000 ] - [ -0.0005541200000000, 0.0005541200000000, 0.0010770900000000 ] - [ -0.0005482000000000, -0.0005482000000000, -0.0013624800000000 ] - [ -0.0003085700000000, -0.0003085700000000, 0.0003518900000000 ] - [ -0.0007807100000000, -0.0007807100000000, -0.0014531900000000 ] - [ 0.0003132500000000, 0.0003132500000000, 0.0004423700000000 ] - [ -0.0000733700000000, 0.0000733700000000, -0.0013081900000000 ] - [ 0.0005541200000000, -0.0005541200000000, 0.0010770900000000 ] - [ -0.0000368400000000, 0.0000832500000000, 0.0001656700000000 ] - [ 0.0001782500000000, -0.0002765500000000, 0.0002335000000000 ] - [ 0.0000368400000000, -0.0000832500000000, 0.0001656700000000 ] - [ -0.0001782500000000, 0.0002765500000000, 0.0002335000000000 ] - [ 0.0045550300000000, 0.0001125600000000, 0.0021308000000000 ] - [ 0.0004912100000000, -0.0002800200000000, 0.0005302400000000 ] - [ 0.0001125600000000, 0.0045550300000000, 0.0021308000000000 ] - [ -0.0002800200000000, 0.0004912100000000, 0.0005302400000000 ] - [ -0.0001125600000000, -0.0045550300000000, 0.0021308000000000 ] - [ 0.0002800200000000, -0.0004912100000000, 0.0005302400000000 ] - [ -0.0045550300000000, -0.0001125600000000, 0.0021308000000000 ] - [ -0.0004912100000000, 0.0002800200000000, 0.0005302400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005115400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005107900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002746100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0007266300000000 ] - [ 0.0000832500000000, -0.0000368400000000, 0.0001656700000000 ] - [ -0.0002765500000000, 0.0001782500000000, 0.0002335000000000 ] - [ -0.0003388600000000, -0.0005880000000000, 0.0003362000000000 ] - [ -0.0000563900000000, -0.0001727800000000, 0.0001956600000000 ] - [ 0.0003388600000000, 0.0005880000000000, 0.0003362000000000 ] - [ 0.0000563900000000, 0.0001727800000000, 0.0001956600000000 ] - [ -0.0000832500000000, 0.0000368400000000, 0.0001656700000000 ] - [ 0.0002765500000000, -0.0001782500000000, 0.0002335000000000 ] - [ 0.0005880000000000, 0.0003388600000000, 0.0003362000000000 ] - [ 0.0001727800000000, 0.0000563900000000, 0.0001956600000000 ] - [ -0.0005880000000000, -0.0003388600000000, 0.0003362000000000 ] - [ -0.0001727800000000, -0.0000563900000000, 0.0001956600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000151800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003420800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000151800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003420800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005427800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003253300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005427800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003253300000000 ] - [ 0.0023312800000000, -0.0023312800000000, -0.0027888200000000 ] - [ 0.0000348900000000, -0.0000348900000000, -0.0022571300000000 ] - [ -0.0056970600000000, -0.0056970600000000, 0.0111587500000000 ] - [ 0.0003876200000000, 0.0003876200000000, -0.0016180600000000 ] - [ -0.0000576400000000, -0.0000576400000000, -0.0008434000000000 ] - [ -0.0009470900000000, -0.0009470900000000, -0.0008738800000000 ] - [ -0.0023312800000000, 0.0023312800000000, -0.0027888200000000 ] - [ -0.0000348900000000, 0.0000348900000000, -0.0022571300000000 ] - [ 0.0021768000000000, -0.0021768000000000, 0.0032441600000000 ] - [ 0.0004635000000000, -0.0004635000000000, -0.0017537000000000 ] - [ 0.0000576400000000, 0.0000576400000000, -0.0008434000000000 ] - [ 0.0009470900000000, 0.0009470900000000, -0.0008738800000000 ] - [ 0.0056970600000000, 0.0056970600000000, 0.0111587500000000 ] - [ -0.0003876200000000, -0.0003876200000000, -0.0016180600000000 ] - [ -0.0021768000000000, 0.0021768000000000, 0.0032441600000000 ] - [ -0.0004635000000000, 0.0004635000000000, -0.0017537000000000 ]- atom: 21 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ -0.0002279500000000, 0.0002279500000000, -0.0006185500000000 ] - [ -0.0008619700000000, 0.0008619700000000, -0.0001381700000000 ] - [ -0.0015974100000000, -0.0015974100000000, 0.0008883400000000 ] - [ -0.0004913800000000, -0.0004913800000000, -0.0010214900000000 ] - [ 0.0002599100000000, 0.0002599100000000, 0.0007537700000000 ] - [ 0.0004954300000000, 0.0004954300000000, -0.0009291100000000 ] - [ 0.0002279500000000, -0.0002279500000000, -0.0006185500000000 ] - [ 0.0008619700000000, -0.0008619700000000, -0.0001381700000000 ] - [ 0.0030577300000000, -0.0007336600000000, 0.0013083700000000 ] - [ 0.0002096400000000, -0.0003718900000000, -0.0001998900000000 ] - [ -0.0030577300000000, 0.0007336600000000, 0.0013083700000000 ] - [ -0.0002096400000000, 0.0003718900000000, -0.0001998900000000 ] - [ 0.0003891400000000, -0.0001128600000000, 0.0002123600000000 ] - [ 0.0005500900000000, 0.0001982900000000, -0.0004213600000000 ] - [ -0.0001128600000000, 0.0003891400000000, 0.0002123600000000 ] - [ 0.0001982900000000, 0.0005500900000000, -0.0004213600000000 ] - [ 0.0001128600000000, -0.0003891400000000, 0.0002123600000000 ] - [ -0.0001982900000000, -0.0005500900000000, -0.0004213600000000 ] - [ -0.0003891400000000, 0.0001128600000000, 0.0002123600000000 ] - [ -0.0005500900000000, -0.0001982900000000, -0.0004213600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0189771600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0007728600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000600300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001009100000000 ] - [ -0.0007336600000000, 0.0030577300000000, 0.0013083700000000 ] - [ -0.0003718900000000, 0.0002096400000000, -0.0001998900000000 ] - [ -0.0000828400000000, -0.0015448200000000, 0.0003771200000000 ] - [ -0.0001103100000000, -0.0001458800000000, -0.0002996100000000 ] - [ 0.0000828400000000, 0.0015448200000000, 0.0003771200000000 ] - [ 0.0001103100000000, 0.0001458800000000, -0.0002996100000000 ] - [ 0.0007336600000000, -0.0030577300000000, 0.0013083700000000 ] - [ 0.0003718900000000, -0.0002096400000000, -0.0001998900000000 ] - [ 0.0015448200000000, 0.0000828400000000, 0.0003771200000000 ] - [ 0.0001458800000000, 0.0001103100000000, -0.0002996100000000 ] - [ -0.0015448200000000, -0.0000828400000000, 0.0003771200000000 ] - [ -0.0001458800000000, -0.0001103100000000, -0.0002996100000000 ] - [ -0.0008750100000000, 0.0008750100000000, 0.0018776000000000 ] - [ -0.0002500900000000, 0.0002500900000000, -0.0005006200000000 ] - [ -0.0002599100000000, -0.0002599100000000, 0.0007537700000000 ] - [ -0.0004954300000000, -0.0004954300000000, -0.0009291100000000 ] - [ 0.0015974100000000, 0.0015974100000000, 0.0008883400000000 ] - [ 0.0004913800000000, 0.0004913800000000, -0.0010214900000000 ] - [ 0.0008750100000000, -0.0008750100000000, 0.0018776000000000 ] - [ 0.0002500900000000, -0.0002500900000000, -0.0005006200000000 ] - [ 0.0003599500000000, -0.0005945800000000, -0.0000463300000000 ] - [ 0.0001454600000000, -0.0002367400000000, -0.0001123800000000 ] - [ -0.0003599500000000, 0.0005945800000000, -0.0000463300000000 ] - [ -0.0001454600000000, 0.0002367400000000, -0.0001123800000000 ] - [ -0.0034401700000000, -0.0001013300000000, -0.0021034900000000 ] - [ 0.0005489700000000, 0.0002802000000000, -0.0005317800000000 ] - [ -0.0001013300000000, -0.0034401700000000, -0.0021034900000000 ] - [ 0.0002802000000000, 0.0005489700000000, -0.0005317800000000 ] - [ 0.0001013300000000, 0.0034401700000000, -0.0021034900000000 ] - [ -0.0002802000000000, -0.0005489700000000, -0.0005317800000000 ] - [ 0.0034401700000000, 0.0001013300000000, -0.0021034900000000 ] - [ -0.0005489700000000, -0.0002802000000000, -0.0005317800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006342700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006331700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008699500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004161400000000 ] - [ -0.0005945800000000, 0.0003599500000000, -0.0000463300000000 ] - [ -0.0002367400000000, 0.0001454600000000, -0.0001123800000000 ] - [ 0.0000133400000000, 0.0000715400000000, -0.0004579400000000 ] - [ -0.0002698000000000, -0.0003434300000000, -0.0003188200000000 ] - [ -0.0000133400000000, -0.0000715400000000, -0.0004579400000000 ] - [ 0.0002698000000000, 0.0003434300000000, -0.0003188200000000 ] - [ 0.0005945800000000, -0.0003599500000000, -0.0000463300000000 ] - [ 0.0002367400000000, -0.0001454600000000, -0.0001123800000000 ] - [ -0.0000715400000000, -0.0000133400000000, -0.0004579400000000 ] - [ 0.0003434300000000, 0.0002698000000000, -0.0003188200000000 ] - [ 0.0000715400000000, 0.0000133400000000, -0.0004579400000000 ] - [ -0.0003434300000000, -0.0002698000000000, -0.0003188200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000095300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003412800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000095300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003412800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005387100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003244800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005387100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003244800000000 ] - [ -0.0013967700000000, 0.0013967700000000, 0.0026184300000000 ] - [ 0.0008940500000000, -0.0008940500000000, 0.0021014000000000 ] - [ 0.0068525600000000, 0.0068525600000000, -0.0111070600000000 ] - [ 0.0005362500000000, 0.0005362500000000, 0.0017806000000000 ] - [ -0.0008638400000000, -0.0008638400000000, 0.0010163600000000 ] - [ 0.0000296500000000, 0.0000296500000000, 0.0010302300000000 ] - [ 0.0013967700000000, -0.0013967700000000, 0.0026184300000000 ] - [ -0.0008940500000000, 0.0008940500000000, 0.0021014000000000 ] - [ -0.0012605900000000, 0.0012605900000000, -0.0034253400000000 ] - [ 0.0004588100000000, -0.0004588100000000, 0.0015925800000000 ] - [ 0.0008638400000000, 0.0008638400000000, 0.0010163600000000 ] - [ -0.0000296500000000, -0.0000296500000000, 0.0010302300000000 ] - [ -0.0068525600000000, -0.0068525600000000, -0.0111070600000000 ] - [ -0.0005362500000000, -0.0005362500000000, 0.0017806000000000 ] - [ 0.0012605900000000, -0.0012605900000000, -0.0034253400000000 ] - [ -0.0004588100000000, 0.0004588100000000, 0.0015925800000000 ]- atom: 73 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0004093100000000, 0.0004122800000000, 0.0003474400000000 ] - [ -0.0008670600000000, -0.0015434000000000, -0.0011816800000000 ] - [ -0.0008670600000000, 0.0015434000000000, 0.0011816800000000 ] - [ -0.0004093100000000, -0.0004122800000000, -0.0003474400000000 ] - [ 0.0002279900000000, 0.0004730400000000, 0.0002561200000000 ] - [ 0.0005254300000000, 0.0007222100000000, -0.0015821700000000 ] - [ 0.0004010100000000, -0.0003979600000000, 0.0002278300000000 ] - [ -0.0000501700000000, -0.0023651400000000, 0.0017627500000000 ] - [ -0.0000128000000000, -0.0009230800000000, -0.0002567500000000 ] - [ 0.0001301000000000, -0.0002394100000000, 0.0001038900000000 ] - [ -0.0003426800000000, -0.0004051300000000, 0.0003787700000000 ] - [ -0.0001979300000000, 0.0002758300000000, 0.0000198600000000 ] - [ 0.0105369500000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0005172000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0024460000000000, 0.0005197800000000, 0.0012515500000000 ] - [ -0.0000999200000000, 0.0005202500000000, 0.0000553900000000 ] - [ -0.0024460000000000, -0.0005197800000000, -0.0012515500000000 ] - [ -0.0000999200000000, -0.0005202500000000, -0.0000553900000000 ] - [ 0.0104469900000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0005249000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0009833100000000, 0.0003858500000000, -0.0005649600000000 ] - [ 0.0001912700000000, 0.0001336600000000, -0.0005655900000000 ] - [ 0.0001912700000000, -0.0001336600000000, 0.0005655900000000 ] - [ 0.0009833100000000, -0.0003858500000000, 0.0005649600000000 ] - [ 0.0033970900000000, -0.0006662000000000, 0.0008518900000000 ] - [ -0.0001102000000000, 0.0001311600000000, 0.0000735800000000 ] - [ -0.0003167500000000, 0.0009738400000000, -0.0021257800000000 ] - [ -0.0001387800000000, -0.0002804200000000, 0.0000692300000000 ] - [ 0.0000014400000000, 0.0014849800000000, 0.0019905900000000 ] - [ 0.0001891300000000, 0.0002343800000000, -0.0001928500000000 ] - [ 0.0039281000000000, -0.0009876500000000, -0.0007211300000000 ] - [ 0.0004051900000000, -0.0001969200000000, 0.0000500100000000 ] - [ -0.0012017200000000, -0.0001073000000000, -0.0002045400000000 ] - [ 0.0000566600000000, 0.0001498700000000, -0.0001380800000000 ] - [ -0.0017128200000000, -0.0004337600000000, 0.0000777800000000 ] - [ -0.0004581700000000, -0.0001782200000000, 0.0000144700000000 ] - [ -0.0002823900000000, 0.0000870700000000, -0.0010128400000000 ] - [ -0.0005822200000000, 0.0003370800000000, 0.0008322500000000 ] - [ -0.0005822200000000, -0.0003370800000000, -0.0008322500000000 ] - [ -0.0002823900000000, -0.0000870700000000, 0.0010128400000000 ] - [ -0.0000501700000000, 0.0023651400000000, -0.0017627500000000 ] - [ 0.0004010100000000, 0.0003979600000000, -0.0002278300000000 ] - [ 0.0005254300000000, -0.0007222100000000, 0.0015821700000000 ] - [ 0.0002279900000000, -0.0004730400000000, -0.0002561200000000 ] - [ 0.0001891300000000, -0.0002343800000000, 0.0001928500000000 ] - [ 0.0000014400000000, -0.0014849800000000, -0.0019905900000000 ] - [ -0.0001387800000000, 0.0002804200000000, -0.0000692300000000 ] - [ -0.0003167500000000, -0.0009738400000000, 0.0021257800000000 ] - [ 0.0005097800000000, 0.0001545700000000, -0.0003166200000000 ] - [ 0.0005097800000000, -0.0001545700000000, 0.0003166200000000 ] - [ 0.0005548900000000, 0.0004629300000000, -0.0001846500000000 ] - [ 0.0005540000000000, 0.0005766600000000, -0.0001864600000000 ] - [ 0.0005540000000000, -0.0005766600000000, 0.0001864600000000 ] - [ 0.0005548900000000, -0.0004629300000000, 0.0001846500000000 ] - [ -0.0005313500000000, 0.0001541400000000, 0.0003157300000000 ] - [ -0.0005313500000000, -0.0001541400000000, -0.0003157300000000 ] - [ -0.0001363100000000, -0.0000674200000000, -0.0005655000000000 ] - [ -0.0028859800000000, -0.0015122800000000, -0.0005654100000000 ] - [ -0.0028859800000000, 0.0015122800000000, 0.0005654100000000 ] - [ -0.0001363100000000, 0.0000674200000000, 0.0005655000000000 ] - [ -0.0004581700000000, 0.0001782200000000, -0.0000144700000000 ] - [ -0.0017128200000000, 0.0004337600000000, -0.0000777800000000 ] - [ -0.0001979300000000, -0.0002758300000000, -0.0000198600000000 ] - [ -0.0003426800000000, 0.0004051300000000, -0.0003787700000000 ] - [ 0.0001301000000000, 0.0002394100000000, -0.0001038900000000 ] - [ -0.0000128000000000, 0.0009230800000000, 0.0002567500000000 ] - [ 0.0000566600000000, -0.0001498700000000, 0.0001380800000000 ] - [ -0.0012017200000000, 0.0001073000000000, 0.0002045400000000 ] - [ 0.0004051900000000, 0.0001969200000000, -0.0000500100000000 ] - [ 0.0039281000000000, 0.0009876500000000, 0.0007211300000000 ] - [ -0.0001102000000000, -0.0001311600000000, -0.0000735800000000 ] - [ 0.0033970900000000, 0.0006662000000000, -0.0008518900000000 ] - [ -0.0474973500000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0000607000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0009595200000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000557800000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0002581600000000, 0.0000593700000000, 0.0000003500000000 ] - [ 0.0002581600000000, -0.0000593700000000, -0.0000003500000000 ] - [ -0.0007374800000000, -0.0000000300000000, -0.0000020200000000 ] - [ -0.0007374800000000, 0.0000000300000000, 0.0000020200000000 ] - [ 0.0000588500000000, -0.0002973100000000, -0.0006906300000000 ] - [ -0.0012574100000000, 0.0022371000000000, 0.0034069100000000 ] - [ -0.0012574100000000, -0.0022371000000000, -0.0034069100000000 ] - [ 0.0000588500000000, 0.0002973100000000, 0.0006906300000000 ] - [ -0.0002594200000000, -0.0004907000000000, -0.0002624200000000 ] - [ 0.0084566000000000, -0.0077673700000000, 0.0080152500000000 ] - [ -0.0008651000000000, 0.0006244300000000, 0.0005242200000000 ] - [ -0.0022059100000000, 0.0031605100000000, -0.0035757000000000 ] - [ 0.0094009900000000, 0.0069026500000000, 0.0079082800000000 ] - [ 0.0006611800000000, -0.0004301800000000, -0.0004293800000000 ] - [ 0.0006611800000000, 0.0004301800000000, 0.0004293800000000 ] - [ 0.0094009900000000, -0.0069026500000000, -0.0079082800000000 ] - [ -0.0022059100000000, -0.0031605100000000, 0.0035757000000000 ] - [ -0.0008651000000000, -0.0006244300000000, -0.0005242200000000 ] - [ 0.0084566000000000, 0.0077673700000000, -0.0080152500000000 ] - [ -0.0002594200000000, 0.0004907000000000, 0.0002624200000000 ]- atom: 73 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0004131800000000, 0.0004045700000000, 0.0003427800000000 ] - [ -0.0025372000000000, -0.0011067100000000, -0.0009143700000000 ] - [ 0.0017498400000000, -0.0019172700000000, -0.0014974600000000 ] - [ -0.0003955600000000, -0.0004040100000000, -0.0002321900000000 ] - [ 0.0005848000000000, 0.0005855700000000, -0.0009163000000000 ] - [ 0.0004394400000000, 0.0003223100000000, 0.0006036700000000 ] - [ 0.0003955600000000, -0.0004040100000000, 0.0002321900000000 ] - [ -0.0017498400000000, -0.0019172700000000, 0.0014974600000000 ] - [ 0.0002716500000000, -0.0020842700000000, -0.0002700000000000 ] - [ 0.0001909200000000, -0.0004126200000000, 0.0000632400000000 ] - [ -0.0000526500000000, -0.0015727900000000, 0.0003896800000000 ] - [ -0.0001354500000000, 0.0001034700000000, 0.0000604400000000 ] - [ 0.0005402000000000, 0.0030462700000000, -0.0014929400000000 ] - [ 0.0005206000000000, 0.0001091000000000, -0.0000664800000000 ] - [ 0.0000000000000000, 0.0006392000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0005186400000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0004069700000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0005213600000000, 0.0000000000000000 ] - [ -0.0005402000000000, 0.0030462700000000, 0.0014929400000000 ] - [ -0.0005206000000000, 0.0001091000000000, 0.0000664800000000 ] - [ -0.0009793700000000, -0.0022020600000000, -0.0005687300000000 ] - [ -0.0001179400000000, -0.0002497600000000, -0.0005664700000000 ] - [ 0.0001179400000000, -0.0002497600000000, 0.0005664700000000 ] - [ 0.0009793700000000, -0.0022020600000000, 0.0005687300000000 ] - [ -0.0013175900000000, 0.0010645700000000, 0.0012400600000000 ] - [ -0.0002835000000000, 0.0002035900000000, -0.0000220200000000 ] - [ 0.0005040000000000, 0.0019946700000000, 0.0002173400000000 ] - [ -0.0001301400000000, -0.0000380500000000, -0.0001250400000000 ] - [ 0.0008252700000000, 0.0025228300000000, -0.0003326100000000 ] - [ 0.0001962900000000, 0.0004784000000000, 0.0000013400000000 ] - [ -0.0007747700000000, 0.0008680900000000, -0.0009918200000000 ] - [ 0.0002327100000000, -0.0001226900000000, 0.0001455600000000 ] - [ 0.0004343500000000, -0.0000744400000000, -0.0003152000000000 ] - [ 0.0002925200000000, 0.0001273200000000, 0.0000151900000000 ] - [ -0.0000851200000000, -0.0004032700000000, 0.0001908000000000 ] - [ -0.0002237000000000, -0.0001994600000000, -0.0001385300000000 ] - [ -0.0004394400000000, 0.0003223100000000, -0.0006036700000000 ] - [ -0.0005848000000000, 0.0005855700000000, 0.0009163000000000 ] - [ -0.0002244700000000, -0.0002252200000000, 0.0003402400000000 ] - [ -0.0003689800000000, -0.0004874900000000, -0.0011781000000000 ] - [ 0.0025372000000000, -0.0011067100000000, 0.0009143700000000 ] - [ 0.0004131800000000, 0.0004045700000000, -0.0003427800000000 ] - [ 0.0003689800000000, -0.0004874900000000, 0.0011781000000000 ] - [ 0.0002244700000000, -0.0002252200000000, -0.0003402400000000 ] - [ 0.0001301400000000, -0.0000380500000000, 0.0001250400000000 ] - [ -0.0005040000000000, 0.0019946700000000, -0.0002173400000000 ] - [ -0.0001962900000000, 0.0004784000000000, -0.0000013400000000 ] - [ -0.0008252700000000, 0.0025228300000000, 0.0003326100000000 ] - [ 0.0005886200000000, -0.0007342400000000, 0.0005027500000000 ] - [ 0.0004508600000000, -0.0007364300000000, 0.0005061200000000 ] - [ -0.0003236200000000, 0.0003606100000000, 0.0009767600000000 ] - [ 0.0003236200000000, 0.0003606100000000, -0.0009767600000000 ] - [ -0.0003256900000000, -0.0006772600000000, -0.0009790900000000 ] - [ 0.0003256900000000, -0.0006772600000000, 0.0009790900000000 ] - [ -0.0004508600000000, -0.0007364300000000, -0.0005061200000000 ] - [ -0.0005886200000000, -0.0007342400000000, -0.0005027500000000 ] - [ 0.0000808900000000, 0.0001339500000000, -0.0005665300000000 ] - [ 0.0010577500000000, 0.0015519100000000, -0.0005679300000000 ] - [ -0.0010577500000000, 0.0015519100000000, 0.0005679300000000 ] - [ -0.0000808900000000, 0.0001339500000000, 0.0005665300000000 ] - [ -0.0002925200000000, 0.0001273200000000, -0.0000151900000000 ] - [ -0.0004343500000000, -0.0000744400000000, 0.0003152000000000 ] - [ -0.0001909200000000, -0.0004126200000000, -0.0000632400000000 ] - [ -0.0002716500000000, -0.0020842700000000, 0.0002700000000000 ] - [ 0.0001354500000000, 0.0001034700000000, -0.0000604400000000 ] - [ 0.0000526500000000, -0.0015727900000000, -0.0003896800000000 ] - [ 0.0002237000000000, -0.0001994600000000, 0.0001385300000000 ] - [ 0.0000851200000000, -0.0004032700000000, -0.0001908000000000 ] - [ 0.0002835000000000, 0.0002035900000000, 0.0000220200000000 ] - [ 0.0013175900000000, 0.0010645700000000, -0.0012400600000000 ] - [ -0.0002327100000000, -0.0001226900000000, -0.0001455600000000 ] - [ 0.0007747700000000, 0.0008680900000000, 0.0009918200000000 ] - [ 0.0000000000000000, -0.0120238200000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0000731700000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0009600000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000563400000000, 0.0000000000000000 ] - [ -0.0000593800000000, 0.0003089000000000, 0.0000003900000000 ] - [ 0.0000593800000000, 0.0003089000000000, -0.0000003900000000 ] - [ 0.0000000100000000, -0.0007369600000000, -0.0000023400000000 ] - [ -0.0000000100000000, -0.0007369600000000, 0.0000023400000000 ] - [ 0.0006909600000000, 0.0000686500000000, -0.0007673500000000 ] - [ 0.0036271700000000, 0.0036376800000000, 0.0055687500000000 ] - [ -0.0027157000000000, 0.0045466100000000, 0.0057757900000000 ] - [ 0.0002300700000000, 0.0009882300000000, -0.0006001200000000 ] - [ -0.0005241800000000, -0.0006676400000000, 0.0004620600000000 ] - [ -0.0084326600000000, -0.0020901900000000, -0.0039485100000000 ] - [ -0.0002300700000000, 0.0009882300000000, 0.0006001200000000 ] - [ 0.0027157000000000, 0.0045466100000000, -0.0057757900000000 ] - [ 0.0084326600000000, -0.0020901900000000, 0.0039485100000000 ] - [ 0.0005241800000000, -0.0006676400000000, -0.0004620600000000 ] - [ 0.0003969200000000, 0.0002540500000000, -0.0002939300000000 ] - [ -0.0074992200000000, -0.0011129700000000, 0.0041115300000000 ] - [ -0.0036271700000000, 0.0036376800000000, -0.0055687500000000 ] - [ -0.0006909600000000, 0.0000686500000000, 0.0007673500000000 ] - [ 0.0074992200000000, -0.0011129700000000, -0.0041115300000000 ] - [ -0.0003969200000000, 0.0002540500000000, 0.0002939300000000 ]- atom: 73 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ -0.0001510400000000, 0.0001538700000000, -0.0011886100000000 ] - [ -0.0013930200000000, 0.0005663300000000, 0.0041958500000000 ] - [ 0.0005872200000000, -0.0002263800000000, 0.0036343000000000 ] - [ -0.0006498600000000, -0.0006469200000000, -0.0017633600000000 ] - [ 0.0007608900000000, 0.0004367200000000, -0.0017664900000000 ] - [ 0.0002142200000000, 0.0007558400000000, -0.0009343000000000 ] - [ 0.0001510400000000, -0.0001538700000000, -0.0011886100000000 ] - [ 0.0013930200000000, -0.0005663300000000, 0.0041958500000000 ] - [ -0.0001874900000000, -0.0002736800000000, 0.0007366800000000 ] - [ 0.0002683900000000, -0.0004561700000000, -0.0003924400000000 ] - [ 0.0001874900000000, 0.0002736800000000, 0.0007366800000000 ] - [ -0.0002683900000000, 0.0004561700000000, -0.0003924400000000 ] - [ 0.0005391100000000, -0.0019790100000000, 0.0042090600000000 ] - [ 0.0005185900000000, 0.0004924700000000, -0.0009653700000000 ] - [ -0.0013335000000000, 0.0005194100000000, 0.0023608100000000 ] - [ 0.0004938600000000, 0.0005185500000000, -0.0009317200000000 ] - [ 0.0013335000000000, -0.0005194100000000, 0.0023608100000000 ] - [ -0.0004938600000000, -0.0005185500000000, -0.0009317200000000 ] - [ -0.0005391100000000, 0.0019790100000000, 0.0042090600000000 ] - [ -0.0005185900000000, -0.0004924700000000, -0.0009653700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005848600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0009152300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002323000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005603400000000 ] - [ 0.0009532800000000, 0.0009564000000000, 0.0014786900000000 ] - [ -0.0004873800000000, 0.0002409400000000, -0.0004556300000000 ] - [ -0.0025096600000000, 0.0007282100000000, -0.0012869200000000 ] - [ 0.0000113200000000, -0.0001021300000000, -0.0006113600000000 ] - [ 0.0025096600000000, -0.0007282100000000, -0.0012869200000000 ] - [ -0.0000113200000000, 0.0001021300000000, -0.0006113600000000 ] - [ -0.0009532800000000, -0.0009564000000000, 0.0014786900000000 ] - [ 0.0004873800000000, -0.0002409400000000, -0.0004556300000000 ] - [ 0.0006435600000000, 0.0000318400000000, 0.0001189300000000 ] - [ 0.0000328800000000, 0.0000959400000000, -0.0004743000000000 ] - [ -0.0006435600000000, -0.0000318400000000, 0.0001189300000000 ] - [ -0.0000328800000000, -0.0000959400000000, -0.0004743000000000 ] - [ -0.0005879600000000, 0.0000431500000000, -0.0003561300000000 ] - [ -0.0000404700000000, 0.0003623100000000, -0.0011902700000000 ] - [ -0.0007608900000000, -0.0004367200000000, -0.0017664900000000 ] - [ -0.0002142200000000, -0.0007558400000000, -0.0009343000000000 ] - [ -0.0005872200000000, 0.0002263800000000, 0.0036343000000000 ] - [ 0.0006498600000000, 0.0006469200000000, -0.0017633600000000 ] - [ 0.0005879600000000, -0.0000431500000000, -0.0003561300000000 ] - [ 0.0000404700000000, -0.0003623100000000, -0.0011902700000000 ] - [ 0.0003339900000000, -0.0004142500000000, -0.0004903900000000 ] - [ -0.0021654600000000, -0.0012365500000000, -0.0011614700000000 ] - [ -0.0003339900000000, 0.0004142500000000, -0.0004903900000000 ] - [ 0.0021654600000000, 0.0012365500000000, -0.0011614700000000 ] - [ 0.0003915000000000, 0.0004422000000000, -0.0007086700000000 ] - [ 0.0006451600000000, 0.0004418300000000, -0.0007089900000000 ] - [ 0.0004108000000000, 0.0008943500000000, -0.0011781000000000 ] - [ 0.0004100400000000, 0.0001453700000000, -0.0011781000000000 ] - [ -0.0004108000000000, -0.0008943500000000, -0.0011781000000000 ] - [ -0.0004100400000000, -0.0001453700000000, -0.0011781000000000 ] - [ -0.0003915000000000, -0.0004422000000000, -0.0007086700000000 ] - [ -0.0006451600000000, -0.0004418300000000, -0.0007089900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0008989400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000358100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0011179100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002493600000000 ] - [ -0.0004839800000000, 0.0002258500000000, -0.0003521600000000 ] - [ 0.0001238100000000, 0.0002903700000000, 0.0002393200000000 ] - [ -0.0000535900000000, -0.0000610300000000, -0.0005144900000000 ] - [ -0.0005086900000000, -0.0002423900000000, 0.0006114700000000 ] - [ 0.0000535900000000, 0.0000610300000000, -0.0005144900000000 ] - [ 0.0005086900000000, 0.0002423900000000, 0.0006114700000000 ] - [ 0.0004839800000000, -0.0002258500000000, -0.0003521600000000 ] - [ -0.0001238100000000, -0.0002903700000000, 0.0002393200000000 ] - [ 0.0000296600000000, 0.0000813200000000, -0.0005778400000000 ] - [ 0.0014981800000000, -0.0007585500000000, 0.0012320300000000 ] - [ -0.0000296600000000, -0.0000813200000000, -0.0005778400000000 ] - [ -0.0014981800000000, 0.0007585500000000, 0.0012320300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0137006300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006769100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0011980900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006108200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002817100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002829500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0019046000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0018915200000000 ] - [ -0.0000128000000000, -0.0006227400000000, 0.0030892400000000 ] - [ 0.0044397500000000, 0.0044458000000000, 0.0006654200000000 ] - [ -0.0035248600000000, 0.0054014500000000, 0.0008057500000000 ] - [ 0.0009340200000000, 0.0003021800000000, 0.0032494500000000 ] - [ -0.0006850600000000, -0.0004588700000000, 0.0033452700000000 ] - [ 0.0077619400000000, -0.0041685700000000, -0.0044962000000000 ] - [ 0.0000128000000000, 0.0006227400000000, 0.0030892400000000 ] - [ -0.0044397500000000, -0.0044458000000000, 0.0006654200000000 ] - [ 0.0086988700000000, 0.0032519500000000, -0.0047105900000000 ] - [ 0.0002385600000000, -0.0004629900000000, 0.0031842100000000 ] - [ 0.0006850600000000, 0.0004588700000000, 0.0033452700000000 ] - [ -0.0077619400000000, 0.0041685700000000, -0.0044962000000000 ] - [ 0.0035248600000000, -0.0054014500000000, 0.0008057500000000 ] - [ -0.0009340200000000, -0.0003021800000000, 0.0032494500000000 ] - [ -0.0086988700000000, -0.0032519500000000, -0.0047105900000000 ] - [ -0.0002385600000000, 0.0004629900000000, 0.0031842100000000 ]- atom: 81 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0077343200000000, 0.0008249500000000, -0.0065658500000000 ] - [ 0.0002826400000000, 0.0001506500000000, -0.0005724000000000 ] - [ -0.0002579300000000, -0.0004299300000000, -0.0007153900000000 ] - [ 0.0013349700000000, -0.0006829800000000, 0.0019700800000000 ] - [ 0.0018890500000000, -0.0001772900000000, -0.0021800500000000 ] - [ 0.0003776400000000, 0.0003648800000000, -0.0000236700000000 ] - [ -0.0016531000000000, 0.0007663900000000, -0.0038501500000000 ] - [ 0.0004470400000000, -0.0004348000000000, 0.0008813300000000 ] - [ -0.0012380000000000, 0.0013051400000000, 0.0009889300000000 ] - [ -0.0005849900000000, -0.0001626100000000, -0.0001167500000000 ] - [ 0.0003869700000000, -0.0008667500000000, -0.0012231700000000 ] - [ 0.0004920100000000, -0.0004203300000000, 0.0013759900000000 ] - [ 0.0009489600000000, 0.0008748600000000, -0.0009103800000000 ] - [ 0.0023778100000000, 0.0002466400000000, 0.0012964000000000 ] - [ -0.0005572100000000, 0.0005179000000000, 0.0002732100000000 ] - [ -0.0022023800000000, 0.0000397000000000, 0.0019053600000000 ] - [ -0.0013523500000000, -0.0007046400000000, -0.0012199000000000 ] - [ -0.0030464700000000, 0.0018944500000000, 0.0044233900000000 ] - [ -0.0008142000000000, 0.0000899200000000, 0.0005267000000000 ] - [ -0.0030182500000000, -0.0002755000000000, -0.0007373000000000 ] - [ 0.0032219100000000, 0.0036805200000000, 0.0012978600000000 ] - [ 0.0007285400000000, 0.0004754400000000, -0.0009976600000000 ] - [ 0.0232791600000000, -0.0156255700000000, 0.0069713400000000 ] - [ 0.0002278900000000, -0.0001184900000000, 0.0006427100000000 ] - [ 0.0046478500000000, -0.0011181400000000, 0.0032415100000000 ] - [ 0.0021445900000000, 0.0002225100000000, -0.0004170900000000 ] - [ -0.0019957100000000, -0.0026699900000000, 0.0015895600000000 ] - [ -0.0003306800000000, -0.0004426000000000, -0.0003030000000000 ] - [ 0.0019284700000000, 0.0013857000000000, -0.0002246100000000 ] - [ 0.0006731600000000, 0.0007022400000000, 0.0003034800000000 ] - [ 0.0010000400000000, -0.0002848000000000, 0.0004824200000000 ] - [ 0.0007047700000000, -0.0003333300000000, -0.0005763000000000 ] - [ -0.0007002500000000, -0.0006021900000000, -0.0010465500000000 ] - [ -0.0001132400000000, 0.0000108300000000, 0.0001666800000000 ] - [ -0.0067659700000000, -0.0004468000000000, -0.0018374800000000 ] - [ -0.0017638900000000, -0.0004939900000000, 0.0006835400000000 ] - [ -0.0022512100000000, 0.0011993500000000, 0.0029707400000000 ] - [ -0.0004750500000000, 0.0003903500000000, 0.0002237800000000 ] - [ -0.0102730400000000, -0.0006798500000000, -0.0036829200000000 ] - [ -0.0005459500000000, -0.0004235100000000, -0.0002769100000000 ] - [ -0.0003333300000000, -0.0001579700000000, 0.0031281100000000 ] - [ -0.0027382300000000, 0.0005556300000000, -0.0037191200000000 ] - [ 0.0126020400000000, -0.0026683600000000, -0.0019786300000000 ] - [ 0.0006860400000000, -0.0005829900000000, 0.0015033500000000 ] - [ 0.0107476400000000, -0.0029579900000000, -0.0005294000000000 ] - [ 0.0002498600000000, -0.0002245300000000, 0.0000961300000000 ] - [ -0.0038628200000000, -0.0000820500000000, -0.0004385400000000 ] - [ -0.0001419300000000, 0.0002118900000000, 0.0001514600000000 ] - [ -0.0051940000000000, 0.0006043300000000, 0.0018791400000000 ] - [ 0.0004002300000000, 0.0001335400000000, -0.0001237300000000 ] - [ 0.0164162500000000, 0.0064699100000000, -0.0078683200000000 ] - [ 0.0003827800000000, 0.0004829000000000, -0.0002834000000000 ] - [ 0.0032400000000000, 0.0010377500000000, 0.0039046100000000 ] - [ 0.0003321500000000, -0.0005278100000000, 0.0002037800000000 ] - [ 0.0115363400000000, 0.0010044700000000, 0.0010611900000000 ] - [ -0.0003902600000000, 0.0000705000000000, 0.0003040300000000 ] - [ -0.0040721800000000, 0.0026324000000000, 0.0011419200000000 ] - [ -0.0002826200000000, -0.0001394200000000, -0.0005657200000000 ] - [ -0.0020338400000000, 0.0016366600000000, 0.0000815400000000 ] - [ -0.0011731500000000, 0.0010981900000000, 0.0009692300000000 ] - [ -0.0084355700000000, -0.0010187600000000, -0.0004407000000000 ] - [ -0.0004794000000000, 0.0001949500000000, 0.0000958100000000 ] - [ 0.0113315500000000, -0.0046298300000000, -0.0021391900000000 ] - [ -0.0001680500000000, -0.0002942300000000, -0.0000731100000000 ] - [ -0.0106057800000000, -0.0033672500000000, -0.0008557500000000 ] - [ 0.0000491200000000, 0.0003380300000000, 0.0001241600000000 ] - [ 0.0332059400000000, 0.0043413700000000, 0.0058996100000000 ] - [ 0.0000184200000000, -0.0001207000000000, 0.0001394900000000 ] - [ -0.0006283900000000, 0.0018296100000000, 0.0021604300000000 ] - [ 0.0005445200000000, 0.0002048100000000, 0.0002075400000000 ] - [ 0.0065114500000000, 0.0026054100000000, -0.0012862200000000 ] - [ 0.0000015400000000, -0.0001383000000000, -0.0000220600000000 ] - [ -0.0004033300000000, 0.0002310500000000, -0.0004740600000000 ] - [ -0.0017520000000000, 0.0031783100000000, 0.0039907800000000 ] - [ 0.0005322400000000, 0.0001630000000000, 0.0001597100000000 ] - [ 0.0041051200000000, 0.0026835900000000, -0.0048985700000000 ] - [ 0.0089244300000000, 0.0079147000000000, 0.0081783800000000 ] - [ 0.0002041900000000, 0.0000636400000000, -0.0002232000000000 ] - [ -0.0016322600000000, 0.0073527400000000, -0.0037145000000000 ] - [ -0.0002072600000000, 0.0000300900000000, 0.0000015300000000 ] - [ -0.1979807900000000, 0.0079002700000000, 0.0090798100000000 ] - [ -0.0003460200000000, -0.0003876100000000, -0.0003785200000000 ] - [ -0.0096423400000000, 0.0028439100000000, 0.0033054500000000 ] - [ -0.0018439200000000, 0.0006144700000000, -0.0013475700000000 ] - [ -0.0089767700000000, 0.0070730500000000, -0.0018338800000000 ] - [ -0.0002739600000000, -0.0006573300000000, 0.0001394400000000 ] - [ 0.0279018700000000, -0.0207824300000000, -0.0011014200000000 ] - [ -0.0005856200000000, 0.0003998800000000, -0.0006957800000000 ] - [ 0.0046253500000000, -0.0006858800000000, -0.0023175500000000 ] - [ 0.0046282700000000, -0.0006835700000000, 0.0015955400000000 ] - [ 0.0738424000000000, -0.0069911000000000, -0.0052138500000000 ] - [ 0.0018324900000000, 0.0006580900000000, -0.0009923400000000 ] - [ 0.0213411800000000, -0.0028156000000000, -0.0208729900000000 ] - [ 0.0008541800000000, -0.0006111300000000, 0.0037031100000000 ] - [ -0.0038992900000000, -0.0018800800000000, 0.0152892400000000 ] - [ -0.0038524500000000, -0.0019025500000000, -0.0088438900000000 ]- atom: 81 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0084794000000000, 0.0000040200000000, 0.0071189400000000 ] - [ -0.0010868100000000, 0.0006554400000000, 0.0011434200000000 ] - [ -0.0005532500000000, -0.0003806800000000, 0.0001175800000000 ] - [ -0.0021375900000000, -0.0001259100000000, -0.0025341800000000 ] - [ -0.0010921200000000, 0.0009860200000000, 0.0015934100000000 ] - [ 0.0004292900000000, 0.0004426700000000, -0.0005517500000000 ] - [ 0.0024602800000000, -0.0015635500000000, 0.0044079800000000 ] - [ 0.0003629900000000, -0.0003737300000000, -0.0002976600000000 ] - [ 0.0015598300000000, -0.0018082800000000, -0.0008564200000000 ] - [ 0.0009101800000000, -0.0003481600000000, 0.0002297600000000 ] - [ -0.0007218100000000, 0.0013839200000000, 0.0013284400000000 ] - [ -0.0008272300000000, 0.0009147800000000, -0.0012327000000000 ] - [ 0.0000930000000000, -0.0008691400000000, 0.0009036100000000 ] - [ -0.0013556700000000, -0.0002240600000000, -0.0012748200000000 ] - [ 0.0005500400000000, 0.0005222100000000, -0.0002684800000000 ] - [ 0.0021751800000000, 0.0010025700000000, -0.0018939700000000 ] - [ 0.0013409000000000, -0.0003375400000000, 0.0012146400000000 ] - [ 0.0029856300000000, -0.0029520100000000, -0.0045323500000000 ] - [ -0.0002258200000000, -0.0000881100000000, -0.0005225300000000 ] - [ 0.0019776400000000, 0.0002407100000000, 0.0006966000000000 ] - [ -0.0031821200000000, -0.0036513700000000, -0.0024309300000000 ] - [ -0.0007148600000000, -0.0004698000000000, -0.0001398800000000 ] - [ -0.0221214800000000, 0.0141852300000000, -0.0055803700000000 ] - [ -0.0002241600000000, 0.0001166900000000, 0.0004956800000000 ] - [ -0.0051326800000000, 0.0014370300000000, -0.0031099800000000 ] - [ -0.0026214500000000, 0.0001056700000000, 0.0005573900000000 ] - [ 0.0016709200000000, 0.0021410100000000, -0.0016960400000000 ] - [ 0.0000090900000000, -0.0000710200000000, 0.0001746700000000 ] - [ -0.0015992300000000, -0.0008747800000000, 0.0000941000000000 ] - [ -0.0003436300000000, -0.0001805300000000, -0.0004208500000000 ] - [ -0.0004670900000000, -0.0000450300000000, -0.0003612000000000 ] - [ -0.0001774100000000, 0.0000059900000000, 0.0006939700000000 ] - [ 0.0011865300000000, 0.0009247200000000, 0.0009206500000000 ] - [ 0.0006142200000000, 0.0003111700000000, -0.0002913600000000 ] - [ 0.0062256500000000, 0.0001117900000000, 0.0017485800000000 ] - [ 0.0012327200000000, 0.0001648700000000, -0.0008109900000000 ] - [ 0.0014389000000000, -0.0003862700000000, -0.0023676900000000 ] - [ -0.0003321900000000, 0.0004169300000000, 0.0003486500000000 ] - [ 0.0094730200000000, -0.0001374600000000, 0.0031508200000000 ] - [ -0.0002636800000000, -0.0003862800000000, -0.0003063600000000 ] - [ 0.0011382300000000, 0.0009623000000000, -0.0036857400000000 ] - [ 0.0035484100000000, 0.0002592400000000, 0.0030634800000000 ] - [ -0.0118935100000000, 0.0019789500000000, 0.0022190100000000 ] - [ 0.0001258800000000, -0.0002291400000000, -0.0009063600000000 ] - [ -0.0104003200000000, 0.0024437500000000, 0.0006719500000000 ] - [ 0.0000765200000000, -0.0002893500000000, 0.0000270600000000 ] - [ 0.0035413400000000, 0.0005446400000000, 0.0005664800000000 ] - [ -0.0001821100000000, 0.0003014100000000, -0.0000282600000000 ] - [ 0.0062334300000000, -0.0005831700000000, -0.0018486700000000 ] - [ 0.0006406400000000, -0.0001309200000000, 0.0001204900000000 ] - [ -0.0155496400000000, -0.0051341600000000, 0.0068410300000000 ] - [ -0.0003756900000000, 0.0005564800000000, 0.0002813600000000 ] - [ -0.0032010200000000, -0.0020709300000000, -0.0038787500000000 ] - [ -0.0003269500000000, -0.0005122300000000, -0.0002013100000000 ] - [ -0.0125260000000000, -0.0010813400000000, -0.0011423000000000 ] - [ -0.0006486900000000, -0.0000698900000000, -0.0003006400000000 ] - [ 0.0040043500000000, -0.0027388000000000, -0.0022972700000000 ] - [ 0.0002796800000000, 0.0001376500000000, -0.0005722900000000 ] - [ 0.0020167100000000, -0.0016285300000000, 0.0010601600000000 ] - [ 0.0011502000000000, -0.0010842400000000, 0.0001643800000000 ] - [ 0.0078819800000000, 0.0013737000000000, 0.0005526400000000 ] - [ -0.0000375100000000, 0.0001310500000000, 0.0000264300000000 ] - [ -0.0118218700000000, 0.0037950900000000, 0.0021410700000000 ] - [ -0.0001580500000000, -0.0002197900000000, -0.0000497300000000 ] - [ 0.0109437700000000, 0.0039219600000000, 0.0007159000000000 ] - [ 0.0002754400000000, 0.0001763600000000, -0.0002456100000000 ] - [ -0.0361970500000000, -0.0045116400000000, -0.0057454300000000 ] - [ 0.0004914200000000, -0.0002038500000000, -0.0000155000000000 ] - [ 0.0023077400000000, -0.0009353200000000, -0.0017786900000000 ] - [ -0.0000264300000000, 0.0001206000000000, -0.0003286900000000 ] - [ -0.0069705000000000, -0.0029042700000000, 0.0011613000000000 ] - [ -0.0005119900000000, -0.0001868700000000, -0.0001009800000000 ] - [ 0.0003989600000000, -0.0002294200000000, 0.0004731200000000 ] - [ 0.0017089200000000, -0.0031647800000000, -0.0039730100000000 ] - [ -0.0005259700000000, -0.0001636800000000, -0.0001610700000000 ] - [ -0.0040800900000000, -0.0027145600000000, 0.0049484300000000 ] - [ -0.0089359200000000, -0.0080179300000000, -0.0082833600000000 ] - [ -0.0002001800000000, -0.0000634800000000, 0.0002234000000000 ] - [ 0.0015695400000000, -0.0073169100000000, 0.0037055100000000 ] - [ 0.0002037500000000, -0.0000305900000000, -0.0000021300000000 ] - [ 0.1992579900000000, -0.0080318000000000, -0.0086256700000000 ] - [ 0.0012625600000000, -0.0005345000000000, 0.0002105000000000 ] - [ 0.0105136100000000, -0.0018521100000000, -0.0030451100000000 ] - [ 0.0027528800000000, 0.0003169400000000, 0.0014937400000000 ] - [ 0.0082143800000000, -0.0080429100000000, 0.0019540700000000 ] - [ -0.0006413800000000, -0.0002652000000000, 0.0000317900000000 ] - [ -0.0288273500000000, 0.0215409500000000, 0.0009221700000000 ] - [ -0.0003418700000000, 0.0005223100000000, 0.0005307600000000 ] - [ -0.0036873800000000, -0.0002356700000000, 0.0021177000000000 ] - [ -0.0036842000000000, -0.0002336000000000, -0.0017188500000000 ] - [ -0.0729297600000000, 0.0081255300000000, 0.0055762000000000 ] - [ -0.0009023700000000, 0.0002660900000000, 0.0011517400000000 ] - [ -0.0222706400000000, 0.0018806000000000, 0.0208449400000000 ] - [ -0.0018065900000000, -0.0003134100000000, -0.0034792900000000 ] - [ 0.0030195900000000, 0.0027960600000000, -0.0153924200000000 ] - [ 0.0030667600000000, 0.0027736100000000, 0.0085519400000000 ]- atom: 81 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ -0.0009282800000000, 0.0009282800000000, 0.0696133300000000 ] - [ 0.0014443200000000, -0.0014443200000000, -0.0097738600000000 ] - [ -0.0015177400000000, -0.0016434300000000, -0.0070816600000000 ] - [ -0.0003207100000000, 0.0011026400000000, -0.0014009900000000 ] - [ -0.0022981700000000, -0.0042418400000000, 0.0141589500000000 ] - [ 0.0017169100000000, 0.0015605000000000, -0.0075949400000000 ] - [ 0.0008095100000000, -0.0008095100000000, 0.0050146500000000 ] - [ -0.0004218200000000, 0.0004218200000000, -0.0053856300000000 ] - [ 0.0007257600000000, -0.0028033400000000, -0.0010523700000000 ] - [ 0.0004570500000000, 0.0005657800000000, -0.0006719400000000 ] - [ -0.0012138500000000, -0.0018779400000000, -0.0046120100000000 ] - [ 0.0002145700000000, 0.0057485300000000, -0.0062695400000000 ] - [ 0.0007567200000000, 0.0043571300000000, -0.0063502300000000 ] - [ 0.0025572000000000, -0.0091696300000000, 0.0028260200000000 ] - [ 0.0012238300000000, 0.0004372900000000, -0.0033288900000000 ] - [ 0.0006612900000000, 0.0010225700000000, 0.0009627100000000 ] - [ -0.0043571300000000, -0.0007567200000000, -0.0063502300000000 ] - [ 0.0091696300000000, -0.0025572000000000, 0.0028260200000000 ] - [ -0.0004372900000000, -0.0012238300000000, -0.0033288900000000 ] - [ -0.0010225700000000, -0.0006612900000000, 0.0009627100000000 ] - [ 0.0023500500000000, -0.0023500500000000, -0.0032618200000000 ] - [ -0.0008223600000000, 0.0008223600000000, -0.0027442900000000 ] - [ 0.0013809300000000, -0.0013809300000000, 0.0116575000000000 ] - [ -0.0000330300000000, 0.0000330300000000, -0.0011343900000000 ] - [ 0.0018779400000000, 0.0012138500000000, -0.0046120100000000 ] - [ -0.0057485300000000, -0.0002145700000000, -0.0062695400000000 ] - [ 0.0016020200000000, 0.0028945200000000, -0.0006486700000000 ] - [ -0.0005802900000000, -0.0008477400000000, -0.0015217100000000 ] - [ 0.0007668600000000, 0.0042123700000000, -0.0009410400000000 ] - [ -0.0009752400000000, -0.0032125800000000, -0.0027704700000000 ] - [ 0.0028033400000000, -0.0007257600000000, -0.0010523700000000 ] - [ -0.0005657800000000, -0.0004570500000000, -0.0006719400000000 ] - [ -0.0028945200000000, -0.0016020200000000, -0.0006486700000000 ] - [ 0.0008477400000000, 0.0005802900000000, -0.0015217100000000 ] - [ -0.0042123700000000, -0.0007668600000000, -0.0009410400000000 ] - [ 0.0032125800000000, 0.0009752400000000, -0.0027704700000000 ] - [ -0.0013145700000000, 0.0013145700000000, 0.0062002100000000 ] - [ 0.0004738600000000, -0.0004738600000000, -0.0047951800000000 ] - [ 0.0042418400000000, 0.0022981700000000, 0.0141589500000000 ] - [ -0.0015605000000000, -0.0017169100000000, -0.0075949400000000 ] - [ 0.0016434300000000, 0.0015177400000000, -0.0070816600000000 ] - [ -0.0011026400000000, 0.0003207100000000, -0.0014009900000000 ] - [ 0.0060065800000000, -0.0060065800000000, 0.0098896000000000 ] - [ -0.0014416400000000, 0.0014416400000000, -0.0105314200000000 ] - [ -0.0010859300000000, 0.0021753400000000, 0.0135401100000000 ] - [ 0.0006510600000000, -0.0014294500000000, -0.0026425600000000 ] - [ 0.0003730300000000, -0.0024405400000000, 0.0042946100000000 ] - [ -0.0006616400000000, 0.0013272100000000, -0.0020952400000000 ] - [ 0.0016849900000000, -0.0056200600000000, 0.0073957000000000 ] - [ 0.0004242500000000, 0.0025528000000000, -0.0044429000000000 ] - [ -0.0093645200000000, -0.0055577900000000, 0.0206528800000000 ] - [ 0.0020668300000000, 0.0006933900000000, -0.0050957800000000 ] - [ 0.0056200600000000, -0.0016849900000000, 0.0073957000000000 ] - [ -0.0025528000000000, -0.0004242500000000, -0.0044429000000000 ] - [ 0.0055577900000000, 0.0093645200000000, 0.0206528800000000 ] - [ -0.0006933900000000, -0.0020668300000000, -0.0050957800000000 ] - [ 0.0007975300000000, -0.0007975300000000, 0.0027815600000000 ] - [ -0.0000798700000000, 0.0000798700000000, -0.0022343700000000 ] - [ -0.0038059800000000, 0.0038059800000000, -0.0003895800000000 ] - [ 0.0040127200000000, -0.0040127200000000, -0.0003629100000000 ] - [ 0.0024405400000000, -0.0003730300000000, 0.0042946100000000 ] - [ -0.0013272100000000, 0.0006616400000000, -0.0020952400000000 ] - [ -0.0022063400000000, 0.0028894300000000, 0.0144233300000000 ] - [ 0.0003210400000000, 0.0007157400000000, -0.0025964100000000 ] - [ 0.0006315300000000, 0.0027374700000000, 0.0035805800000000 ] - [ -0.0003519300000000, -0.0009283600000000, -0.0023624900000000 ] - [ -0.0021753400000000, 0.0010859300000000, 0.0135401100000000 ] - [ 0.0014294500000000, -0.0006510600000000, -0.0026425600000000 ] - [ -0.0028894300000000, 0.0022063400000000, 0.0144233300000000 ] - [ -0.0007157400000000, -0.0003210400000000, -0.0025964100000000 ] - [ -0.0027374700000000, -0.0006315300000000, 0.0035805800000000 ] - [ 0.0009283600000000, 0.0003519300000000, -0.0023624900000000 ] - [ -0.0006053100000000, -0.0006813700000000, 0.0031695600000000 ] - [ 0.0035058800000000, 0.0056929500000000, 0.0007194200000000 ] - [ 0.0006813700000000, 0.0006053100000000, 0.0031695600000000 ] - [ -0.0056929500000000, -0.0035058800000000, 0.0007194200000000 ] - [ 0.0079444400000000, 0.0040252500000000, -0.0045690700000000 ] - [ -0.0003475400000000, -0.0003795800000000, 0.0032654800000000 ] - [ -0.0040252500000000, -0.0079444400000000, -0.0045690700000000 ] - [ 0.0003795800000000, 0.0003475400000000, 0.0032654800000000 ] - [ 0.0094937100000000, -0.0094937100000000, -0.2356861900000000 ] - [ 0.0001693400000000, -0.0001693400000000, 0.0191722300000000 ] - [ -0.0027070500000000, 0.0212645700000000, 0.0109742000000000 ] - [ 0.0018851400000000, -0.0031486500000000, 0.0143336500000000 ] - [ -0.0023295400000000, -0.0058684300000000, -0.0262057400000000 ] - [ -0.0004098800000000, -0.0015306400000000, 0.0161361000000000 ] - [ 0.0004826600000000, -0.0004826600000000, -0.0242602900000000 ] - [ 0.0001536400000000, -0.0001536400000000, 0.0140629900000000 ] - [ 0.0021123500000000, -0.0021123500000000, 0.0034431500000000 ] - [ -0.0017596100000000, 0.0017596100000000, 0.0033687600000000 ] - [ 0.0058684300000000, 0.0023295400000000, -0.0262057400000000 ] - [ 0.0015306400000000, 0.0004098800000000, 0.0161361000000000 ] - [ -0.0212645700000000, 0.0027070500000000, 0.0109742000000000 ] - [ 0.0031486500000000, -0.0018851400000000, 0.0143336500000000 ] - [ 0.0081930300000000, -0.0081930300000000, 0.0413774100000000 ] - [ -0.0158736600000000, 0.0158736600000000, 0.0416212800000000 ]- atom: 81 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ -0.0003841600000000, 0.0003841600000000, -0.0643560500000000 ] - [ -0.0022569300000000, 0.0022569300000000, 0.0103684700000000 ] - [ 0.0007047700000000, 0.0008333600000000, 0.0064923300000000 ] - [ -0.0004760500000000, -0.0018940100000000, 0.0008822800000000 ] - [ 0.0031151800000000, 0.0050810300000000, -0.0148036300000000 ] - [ -0.0009061700000000, -0.0007509200000000, 0.0070204000000000 ] - [ 0.0000120700000000, -0.0000120700000000, -0.0043812800000000 ] - [ 0.0012306200000000, -0.0012306200000000, 0.0059584200000000 ] - [ -0.0003971100000000, 0.0022926100000000, 0.0011667600000000 ] - [ -0.0001320000000000, -0.0010670200000000, 0.0008081800000000 ] - [ 0.0008912100000000, 0.0024198900000000, 0.0047562400000000 ] - [ -0.0005303100000000, -0.0052110400000000, 0.0063564600000000 ] - [ 0.0002821500000000, -0.0043699600000000, 0.0063619200000000 ] - [ -0.0014989800000000, 0.0090684200000000, -0.0027703700000000 ] - [ -0.0012182000000000, 0.0006028200000000, 0.0033223900000000 ] - [ -0.0006822500000000, 0.0000168500000000, -0.0009193400000000 ] - [ 0.0043699600000000, -0.0002821500000000, 0.0063619200000000 ] - [ -0.0090684200000000, 0.0014989800000000, -0.0027703700000000 ] - [ -0.0006028200000000, 0.0012182000000000, 0.0033223900000000 ] - [ -0.0000168500000000, 0.0006822500000000, -0.0009193400000000 ] - [ -0.0023699200000000, 0.0023699200000000, 0.0021365800000000 ] - [ 0.0008146700000000, -0.0008146700000000, 0.0016051200000000 ] - [ -0.0013624500000000, 0.0013624500000000, -0.0106011700000000 ] - [ 0.0000294100000000, -0.0000294100000000, 0.0022695000000000 ] - [ -0.0024198900000000, -0.0008912100000000, 0.0047562400000000 ] - [ 0.0052110400000000, 0.0005303100000000, 0.0063564600000000 ] - [ -0.0019336300000000, -0.0034129900000000, 0.0005142300000000 ] - [ 0.0002456600000000, 0.0003211800000000, 0.0014075800000000 ] - [ -0.0004473700000000, -0.0037441100000000, 0.0008142900000000 ] - [ 0.0013003900000000, 0.0037114400000000, 0.0026479900000000 ] - [ -0.0022926100000000, 0.0003971100000000, 0.0011667600000000 ] - [ 0.0010670200000000, 0.0001320000000000, 0.0008081800000000 ] - [ 0.0034129900000000, 0.0019336300000000, 0.0005142300000000 ] - [ -0.0003211800000000, -0.0002456600000000, 0.0014075800000000 ] - [ 0.0037441100000000, 0.0004473700000000, 0.0008142900000000 ] - [ -0.0037114400000000, -0.0013003900000000, 0.0026479900000000 ] - [ 0.0005156800000000, -0.0005156800000000, -0.0056780400000000 ] - [ -0.0012874700000000, 0.0012874700000000, 0.0053941200000000 ] - [ -0.0050810300000000, -0.0031151800000000, -0.0148036300000000 ] - [ 0.0007509200000000, 0.0009061700000000, 0.0070204000000000 ] - [ -0.0008333600000000, -0.0007047700000000, 0.0064923300000000 ] - [ 0.0018940100000000, 0.0004760500000000, 0.0008822800000000 ] - [ -0.0058924900000000, 0.0058924900000000, -0.0107669800000000 ] - [ 0.0022512200000000, -0.0022512200000000, 0.0110979000000000 ] - [ 0.0013903800000000, -0.0027293400000000, -0.0134245500000000 ] - [ -0.0003238100000000, 0.0009131700000000, 0.0027665400000000 ] - [ -0.0006955800000000, 0.0029516200000000, -0.0041802200000000 ] - [ 0.0003342200000000, -0.0008156800000000, 0.0022201700000000 ] - [ -0.0006437600000000, 0.0056516800000000, -0.0074523700000000 ] - [ 0.0006146500000000, -0.0025521400000000, 0.0044466600000000 ] - [ 0.0104635800000000, 0.0069380200000000, -0.0216317600000000 ] - [ -0.0020727900000000, 0.0003473500000000, 0.0050971500000000 ] - [ -0.0056516800000000, 0.0006437600000000, -0.0074523700000000 ] - [ 0.0025521400000000, -0.0006146500000000, 0.0044466600000000 ] - [ -0.0069380200000000, -0.0104635800000000, -0.0216317600000000 ] - [ -0.0003473500000000, 0.0020727900000000, 0.0050971500000000 ] - [ -0.0008106300000000, 0.0008106300000000, -0.0038981000000000 ] - [ 0.0000810900000000, -0.0000810900000000, 0.0011019200000000 ] - [ 0.0038297800000000, -0.0038297800000000, 0.0015208000000000 ] - [ -0.0039877800000000, 0.0039877800000000, 0.0015027000000000 ] - [ -0.0029516200000000, 0.0006955800000000, -0.0041802200000000 ] - [ 0.0008156800000000, -0.0003342200000000, 0.0022201700000000 ] - [ 0.0017451500000000, -0.0036753100000000, -0.0144384200000000 ] - [ -0.0006476100000000, -0.0012262000000000, 0.0024748700000000 ] - [ -0.0003013000000000, -0.0022305200000000, -0.0036850600000000 ] - [ 0.0006802200000000, 0.0014439700000000, 0.0022408200000000 ] - [ 0.0027293400000000, -0.0013903800000000, -0.0134245500000000 ] - [ -0.0009131700000000, 0.0003238100000000, 0.0027665400000000 ] - [ 0.0036753100000000, -0.0017451500000000, -0.0144384200000000 ] - [ 0.0012262000000000, 0.0006476100000000, 0.0024748700000000 ] - [ 0.0022305200000000, 0.0003013000000000, -0.0036850600000000 ] - [ -0.0014439700000000, -0.0006802200000000, 0.0022408200000000 ] - [ 0.0006098400000000, 0.0006869400000000, -0.0031707600000000 ] - [ -0.0034761700000000, -0.0056520500000000, -0.0007528400000000 ] - [ -0.0006869400000000, -0.0006098400000000, -0.0031707600000000 ] - [ 0.0056520500000000, 0.0034761700000000, -0.0007528400000000 ] - [ -0.0079797500000000, -0.0040346100000000, 0.0046372300000000 ] - [ 0.0003443300000000, 0.0003762700000000, -0.0032660300000000 ] - [ 0.0040346100000000, 0.0079797500000000, 0.0046372300000000 ] - [ -0.0003762700000000, -0.0003443300000000, -0.0032660300000000 ] - [ -0.0082166300000000, 0.0082166300000000, 0.2341964200000000 ] - [ 0.0007596200000000, -0.0007596200000000, -0.0193373400000000 ] - [ 0.0036446600000000, -0.0204527800000000, -0.0107634600000000 ] - [ -0.0009548900000000, 0.0040350000000000, -0.0141958400000000 ] - [ 0.0014563400000000, 0.0049192900000000, 0.0262192300000000 ] - [ -0.0005190300000000, 0.0006119400000000, -0.0159779100000000 ] - [ -0.0015420600000000, 0.0015420600000000, 0.0241605000000000 ] - [ -0.0010737500000000, 0.0010737500000000, -0.0142295400000000 ] - [ -0.0012008400000000, 0.0012008400000000, -0.0035447700000000 ] - [ 0.0026772700000000, -0.0026772700000000, -0.0036188000000000 ] - [ -0.0049192900000000, -0.0014563400000000, 0.0262192300000000 ] - [ -0.0006119400000000, 0.0005190300000000, -0.0159779100000000 ] - [ 0.0204527800000000, -0.0036446600000000, -0.0107634600000000 ] - [ -0.0040350000000000, 0.0009548900000000, -0.0141958400000000 ] - [ -0.0092048100000000, 0.0092048100000000, -0.0417935700000000 ] - [ 0.0148066600000000, -0.0148066600000000, -0.0415491300000000 ]