# Fileset [phonopy_params.yaml.xz](https://mdr.nims.go.jp/filesets/323f1df9-daaa-4f74-a0c7-1dc395032f3b/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 As3Pb2ClO6 / Pnma (62) / materials id 561268](https://mdr.nims.go.jp/datasets/9940c520-fcc5-402e-a156-f1c609f2824e) ## 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: "Pnma" number: 62 Hall_symbol: "-P 2ac 2n"supercell_matrix:- [ 1, 0, 0 ]- [ 0, 2, 0 ]- [ 0, 0, 1 ]primitive_cell: lattice: - [ 19.274362920000002, 0.000000000000000, 0.000000000000000 ] # a - [ 0.000000000000000, 5.369136970000000, 0.000000000000000 ] # b - [ 0.000000000000000, 0.000000000000000, 8.191312620000000 ] # c points: - symbol: As # 1 coordinates: [ 0.180342110000000, 0.750000000000000, 0.463316640000000 ] mass: 74.921600 - symbol: As # 2 coordinates: [ 0.456233330000000, 0.250000000000000, 0.186550920000000 ] mass: 74.921600 - symbol: As # 3 coordinates: [ 0.830519400000000, 0.750000000000000, 0.738704050000000 ] mass: 74.921600 - symbol: As # 4 coordinates: [ 0.319657890000000, 0.250000000000000, 0.963316640000000 ] mass: 74.921600 - symbol: As # 5 coordinates: [ 0.169480600000000, 0.250000000000000, 0.261295950000000 ] mass: 74.921600 - symbol: As # 6 coordinates: [ 0.956233330000000, 0.250000000000000, 0.313449080000000 ] mass: 74.921600 - symbol: As # 7 coordinates: [ 0.680342110000000, 0.750000000000000, 0.036683360000000 ] mass: 74.921600 - symbol: As # 8 coordinates: [ 0.543766670000000, 0.750000000000000, 0.813449080000000 ] mass: 74.921600 - symbol: As # 9 coordinates: [ 0.330519400000000, 0.750000000000000, 0.761295950000000 ] mass: 74.921600 - symbol: As # 10 coordinates: [ 0.819657890000000, 0.250000000000000, 0.536683360000000 ] mass: 74.921600 - symbol: As # 11 coordinates: [ 0.043766670000000, 0.750000000000000, 0.686550920000000 ] mass: 74.921600 - symbol: As # 12 coordinates: [ 0.669480600000000, 0.250000000000000, 0.238704050000000 ] mass: 74.921600 - symbol: Pb # 13 coordinates: [ 0.643910220000000, 0.250000000000000, 0.658628740000000 ] mass: 207.200000 - symbol: Pb # 14 coordinates: [ 0.059551050000000, 0.750000000000000, 0.111169730000000 ] mass: 207.200000 - symbol: Pb # 15 coordinates: [ 0.940448950000000, 0.250000000000000, 0.888830270000000 ] mass: 207.200000 - symbol: Pb # 16 coordinates: [ 0.356089780000000, 0.750000000000000, 0.341371260000000 ] mass: 207.200000 - symbol: Pb # 17 coordinates: [ 0.143910220000000, 0.250000000000000, 0.841371260000000 ] mass: 207.200000 - symbol: Pb # 18 coordinates: [ 0.856089780000000, 0.750000000000000, 0.158628740000000 ] mass: 207.200000 - symbol: Pb # 19 coordinates: [ 0.440448950000000, 0.250000000000000, 0.611169730000000 ] mass: 207.200000 - symbol: Pb # 20 coordinates: [ 0.559551050000000, 0.750000000000000, 0.388830270000000 ] mass: 207.200000 - symbol: Cl # 21 coordinates: [ 0.716796430000000, 0.750000000000000, 0.445754050000000 ] mass: 35.453000 - symbol: Cl # 22 coordinates: [ 0.216796430000000, 0.750000000000000, 0.054245950000000 ] mass: 35.453000 - symbol: Cl # 23 coordinates: [ 0.783203570000000, 0.250000000000000, 0.945754050000000 ] mass: 35.453000 - symbol: Cl # 24 coordinates: [ 0.283203570000000, 0.250000000000000, 0.554245950000000 ] mass: 35.453000 - symbol: O # 25 coordinates: [ 0.546300870000000, 0.507785310000000, 0.667117070000000 ] mass: 15.999400 - symbol: O # 26 coordinates: [ 0.953699130000000, 0.007785310000000, 0.167117070000000 ] mass: 15.999400 - symbol: O # 27 coordinates: [ 0.105738690000000, 0.250000000000000, 0.108511350000000 ] mass: 15.999400 - symbol: O # 28 coordinates: [ 0.873123150000000, 0.002732680000000, 0.621157700000000 ] mass: 15.999400 - symbol: O # 29 coordinates: [ 0.640037830000000, 0.750000000000000, 0.840283140000000 ] mass: 15.999400 - symbol: O # 30 coordinates: [ 0.359962170000000, 0.250000000000000, 0.159716860000000 ] mass: 15.999400 - symbol: O # 31 coordinates: [ 0.859962170000000, 0.250000000000000, 0.340283140000000 ] mass: 15.999400 - symbol: O # 32 coordinates: [ 0.453699130000000, 0.007785310000000, 0.332882930000000 ] mass: 15.999400 - symbol: O # 33 coordinates: [ 0.126876850000000, 0.502732680000000, 0.378842300000000 ] mass: 15.999400 - symbol: O # 34 coordinates: [ 0.605738690000000, 0.250000000000000, 0.391488650000000 ] mass: 15.999400 - symbol: O # 35 coordinates: [ 0.046300870000000, 0.992214690000000, 0.832882930000000 ] mass: 15.999400 - symbol: O # 36 coordinates: [ 0.140037830000000, 0.750000000000000, 0.659716860000000 ] mass: 15.999400 - symbol: O # 37 coordinates: [ 0.953699130000000, 0.492214690000000, 0.167117070000000 ] mass: 15.999400 - symbol: O # 38 coordinates: [ 0.126876850000000, 0.997267320000000, 0.378842300000000 ] mass: 15.999400 - symbol: O # 39 coordinates: [ 0.373123150000000, 0.497267320000000, 0.878842300000000 ] mass: 15.999400 - symbol: O # 40 coordinates: [ 0.394261310000000, 0.750000000000000, 0.608511350000000 ] mass: 15.999400 - symbol: O # 41 coordinates: [ 0.626876850000000, 0.997267320000000, 0.121157700000000 ] mass: 15.999400 - symbol: O # 42 coordinates: [ 0.546300870000000, 0.992214690000000, 0.667117070000000 ] mass: 15.999400 - symbol: O # 43 coordinates: [ 0.453699130000000, 0.492214690000000, 0.332882930000000 ] mass: 15.999400 - symbol: O # 44 coordinates: [ 0.046300870000000, 0.507785310000000, 0.832882930000000 ] mass: 15.999400 - symbol: O # 45 coordinates: [ 0.373123150000000, 0.002732680000000, 0.878842300000000 ] mass: 15.999400 - symbol: O # 46 coordinates: [ 0.873123150000000, 0.497267320000000, 0.621157700000000 ] mass: 15.999400 - symbol: O # 47 coordinates: [ 0.894261310000000, 0.750000000000000, 0.891488650000000 ] mass: 15.999400 - symbol: O # 48 coordinates: [ 0.626876850000000, 0.502732680000000, 0.121157700000000 ] mass: 15.999400 reciprocal_lattice: # without 2pi - [ 0.051882389272766, 0.000000000000000, 0.000000000000000 ] # a* - [ 0.000000000000000, 0.186249672077187, 0.000000000000000 ] # b* - [ 0.000000000000000, 0.000000000000000, 0.122080556119710 ] # c*unit_cell: lattice: - [ 19.274362920000002, 0.000000000000000, 0.000000000000000 ] # a - [ 0.000000000000000, 5.369136970000000, 0.000000000000000 ] # b - [ 0.000000000000000, 0.000000000000000, 8.191312620000000 ] # c points: - symbol: As # 1 coordinates: [ 0.180342110000000, 0.750000000000000, 0.463316640000000 ] mass: 74.921600 reduced_to: 1 - symbol: As # 2 coordinates: [ 0.456233330000000, 0.250000000000000, 0.186550920000000 ] mass: 74.921600 reduced_to: 2 - symbol: As # 3 coordinates: [ 0.830519400000000, 0.750000000000000, 0.738704050000000 ] mass: 74.921600 reduced_to: 3 - symbol: As # 4 coordinates: [ 0.319657890000000, 0.250000000000000, 0.963316640000000 ] mass: 74.921600 reduced_to: 4 - symbol: As # 5 coordinates: [ 0.169480600000000, 0.250000000000000, 0.261295950000000 ] mass: 74.921600 reduced_to: 5 - symbol: As # 6 coordinates: [ 0.956233330000000, 0.250000000000000, 0.313449080000000 ] mass: 74.921600 reduced_to: 6 - symbol: As # 7 coordinates: [ 0.680342110000000, 0.750000000000000, 0.036683360000000 ] mass: 74.921600 reduced_to: 7 - symbol: As # 8 coordinates: [ 0.543766670000000, 0.750000000000000, 0.813449080000000 ] mass: 74.921600 reduced_to: 8 - symbol: As # 9 coordinates: [ 0.330519400000000, 0.750000000000000, 0.761295950000000 ] mass: 74.921600 reduced_to: 9 - symbol: As # 10 coordinates: [ 0.819657890000000, 0.250000000000000, 0.536683360000000 ] mass: 74.921600 reduced_to: 10 - symbol: As # 11 coordinates: [ 0.043766670000000, 0.750000000000000, 0.686550920000000 ] mass: 74.921600 reduced_to: 11 - symbol: As # 12 coordinates: [ 0.669480600000000, 0.250000000000000, 0.238704050000000 ] mass: 74.921600 reduced_to: 12 - symbol: Pb # 13 coordinates: [ 0.643910220000000, 0.250000000000000, 0.658628740000000 ] mass: 207.200000 reduced_to: 13 - symbol: Pb # 14 coordinates: [ 0.059551050000000, 0.750000000000000, 0.111169730000000 ] mass: 207.200000 reduced_to: 14 - symbol: Pb # 15 coordinates: [ 0.940448950000000, 0.250000000000000, 0.888830270000000 ] mass: 207.200000 reduced_to: 15 - symbol: Pb # 16 coordinates: [ 0.356089780000000, 0.750000000000000, 0.341371260000000 ] mass: 207.200000 reduced_to: 16 - symbol: Pb # 17 coordinates: [ 0.143910220000000, 0.250000000000000, 0.841371260000000 ] mass: 207.200000 reduced_to: 17 - symbol: Pb # 18 coordinates: [ 0.856089780000000, 0.750000000000000, 0.158628740000000 ] mass: 207.200000 reduced_to: 18 - symbol: Pb # 19 coordinates: [ 0.440448950000000, 0.250000000000000, 0.611169730000000 ] mass: 207.200000 reduced_to: 19 - symbol: Pb # 20 coordinates: [ 0.559551050000000, 0.750000000000000, 0.388830270000000 ] mass: 207.200000 reduced_to: 20 - symbol: Cl # 21 coordinates: [ 0.716796430000000, 0.750000000000000, 0.445754050000000 ] mass: 35.453000 reduced_to: 21 - symbol: Cl # 22 coordinates: [ 0.216796430000000, 0.750000000000000, 0.054245950000000 ] mass: 35.453000 reduced_to: 22 - symbol: Cl # 23 coordinates: [ 0.783203570000000, 0.250000000000000, 0.945754050000000 ] mass: 35.453000 reduced_to: 23 - symbol: Cl # 24 coordinates: [ 0.283203570000000, 0.250000000000000, 0.554245950000000 ] mass: 35.453000 reduced_to: 24 - symbol: O # 25 coordinates: [ 0.546300870000000, 0.507785310000000, 0.667117070000000 ] mass: 15.999400 reduced_to: 25 - symbol: O # 26 coordinates: [ 0.953699130000000, 0.007785310000000, 0.167117070000000 ] mass: 15.999400 reduced_to: 26 - symbol: O # 27 coordinates: [ 0.105738690000000, 0.250000000000000, 0.108511350000000 ] mass: 15.999400 reduced_to: 27 - symbol: O # 28 coordinates: [ 0.873123150000000, 0.002732680000000, 0.621157700000000 ] mass: 15.999400 reduced_to: 28 - symbol: O # 29 coordinates: [ 0.640037830000000, 0.750000000000000, 0.840283140000000 ] mass: 15.999400 reduced_to: 29 - symbol: O # 30 coordinates: [ 0.359962170000000, 0.250000000000000, 0.159716860000000 ] mass: 15.999400 reduced_to: 30 - symbol: O # 31 coordinates: [ 0.859962170000000, 0.250000000000000, 0.340283140000000 ] mass: 15.999400 reduced_to: 31 - symbol: O # 32 coordinates: [ 0.453699130000000, 0.007785310000000, 0.332882930000000 ] mass: 15.999400 reduced_to: 32 - symbol: O # 33 coordinates: [ 0.126876850000000, 0.502732680000000, 0.378842300000000 ] mass: 15.999400 reduced_to: 33 - symbol: O # 34 coordinates: [ 0.605738690000000, 0.250000000000000, 0.391488650000000 ] mass: 15.999400 reduced_to: 34 - symbol: O # 35 coordinates: [ 0.046300870000000, 0.992214690000000, 0.832882930000000 ] mass: 15.999400 reduced_to: 35 - symbol: O # 36 coordinates: [ 0.140037830000000, 0.750000000000000, 0.659716860000000 ] mass: 15.999400 reduced_to: 36 - symbol: O # 37 coordinates: [ 0.953699130000000, 0.492214690000000, 0.167117070000000 ] mass: 15.999400 reduced_to: 37 - symbol: O # 38 coordinates: [ 0.126876850000000, 0.997267320000000, 0.378842300000000 ] mass: 15.999400 reduced_to: 38 - symbol: O # 39 coordinates: [ 0.373123150000000, 0.497267320000000, 0.878842300000000 ] mass: 15.999400 reduced_to: 39 - symbol: O # 40 coordinates: [ 0.394261310000000, 0.750000000000000, 0.608511350000000 ] mass: 15.999400 reduced_to: 40 - symbol: O # 41 coordinates: [ 0.626876850000000, 0.997267320000000, 0.121157700000000 ] mass: 15.999400 reduced_to: 41 - symbol: O # 42 coordinates: [ 0.546300870000000, 0.992214690000000, 0.667117070000000 ] mass: 15.999400 reduced_to: 42 - symbol: O # 43 coordinates: [ 0.453699130000000, 0.492214690000000, 0.332882930000000 ] mass: 15.999400 reduced_to: 43 - symbol: O # 44 coordinates: [ 0.046300870000000, 0.507785310000000, 0.832882930000000 ] mass: 15.999400 reduced_to: 44 - symbol: O # 45 coordinates: [ 0.373123150000000, 0.002732680000000, 0.878842300000000 ] mass: 15.999400 reduced_to: 45 - symbol: O # 46 coordinates: [ 0.873123150000000, 0.497267320000000, 0.621157700000000 ] mass: 15.999400 reduced_to: 46 - symbol: O # 47 coordinates: [ 0.894261310000000, 0.750000000000000, 0.891488650000000 ] mass: 15.999400 reduced_to: 47 - symbol: O # 48 coordinates: [ 0.626876850000000, 0.502732680000000, 0.121157700000000 ] mass: 15.999400 reduced_to: 48supercell: lattice: - [ 19.274362920000002, 0.000000000000000, 0.000000000000000 ] # a - [ 0.000000000000000, 10.738273939999999, 0.000000000000000 ] # b - [ 0.000000000000000, 0.000000000000000, 8.191312620000000 ] # c points: - symbol: As # 1 coordinates: [ 0.180342110000000, 0.375000000000000, 0.463316640000000 ] mass: 74.921600 reduced_to: 1 - symbol: As # 2 coordinates: [ 0.180342110000000, 0.875000000000000, 0.463316640000000 ] mass: 74.921600 reduced_to: 1 - symbol: As # 3 coordinates: [ 0.456233330000000, 0.125000000000000, 0.186550920000000 ] mass: 74.921600 reduced_to: 3 - symbol: As # 4 coordinates: [ 0.456233330000000, 0.625000000000000, 0.186550920000000 ] mass: 74.921600 reduced_to: 3 - symbol: As # 5 coordinates: [ 0.830519400000000, 0.375000000000000, 0.738704050000000 ] mass: 74.921600 reduced_to: 5 - symbol: As # 6 coordinates: [ 0.830519400000000, 0.875000000000000, 0.738704050000000 ] mass: 74.921600 reduced_to: 5 - symbol: As # 7 coordinates: [ 0.319657890000000, 0.125000000000000, 0.963316640000000 ] mass: 74.921600 reduced_to: 7 - symbol: As # 8 coordinates: [ 0.319657890000000, 0.625000000000000, 0.963316640000000 ] mass: 74.921600 reduced_to: 7 - symbol: As # 9 coordinates: [ 0.169480600000000, 0.125000000000000, 0.261295950000000 ] mass: 74.921600 reduced_to: 9 - symbol: As # 10 coordinates: [ 0.169480600000000, 0.625000000000000, 0.261295950000000 ] mass: 74.921600 reduced_to: 9 - symbol: As # 11 coordinates: [ 0.956233330000000, 0.125000000000000, 0.313449080000000 ] mass: 74.921600 reduced_to: 11 - symbol: As # 12 coordinates: [ 0.956233330000000, 0.625000000000000, 0.313449080000000 ] mass: 74.921600 reduced_to: 11 - symbol: As # 13 coordinates: [ 0.680342110000000, 0.375000000000000, 0.036683360000000 ] mass: 74.921600 reduced_to: 13 - symbol: As # 14 coordinates: [ 0.680342110000000, 0.875000000000000, 0.036683360000000 ] mass: 74.921600 reduced_to: 13 - symbol: As # 15 coordinates: [ 0.543766670000000, 0.375000000000000, 0.813449080000000 ] mass: 74.921600 reduced_to: 15 - symbol: As # 16 coordinates: [ 0.543766670000000, 0.875000000000000, 0.813449080000000 ] mass: 74.921600 reduced_to: 15 - symbol: As # 17 coordinates: [ 0.330519400000000, 0.375000000000000, 0.761295950000000 ] mass: 74.921600 reduced_to: 17 - symbol: As # 18 coordinates: [ 0.330519400000000, 0.875000000000000, 0.761295950000000 ] mass: 74.921600 reduced_to: 17 - symbol: As # 19 coordinates: [ 0.819657890000000, 0.125000000000000, 0.536683360000000 ] mass: 74.921600 reduced_to: 19 - symbol: As # 20 coordinates: [ 0.819657890000000, 0.625000000000000, 0.536683360000000 ] mass: 74.921600 reduced_to: 19 - symbol: As # 21 coordinates: [ 0.043766670000000, 0.375000000000000, 0.686550920000000 ] mass: 74.921600 reduced_to: 21 - symbol: As # 22 coordinates: [ 0.043766670000000, 0.875000000000000, 0.686550920000000 ] mass: 74.921600 reduced_to: 21 - symbol: As # 23 coordinates: [ 0.669480600000000, 0.125000000000000, 0.238704050000000 ] mass: 74.921600 reduced_to: 23 - symbol: As # 24 coordinates: [ 0.669480600000000, 0.625000000000000, 0.238704050000000 ] mass: 74.921600 reduced_to: 23 - symbol: Pb # 25 coordinates: [ 0.643910220000000, 0.125000000000000, 0.658628740000000 ] mass: 207.200000 reduced_to: 25 - symbol: Pb # 26 coordinates: [ 0.643910220000000, 0.625000000000000, 0.658628740000000 ] mass: 207.200000 reduced_to: 25 - symbol: Pb # 27 coordinates: [ 0.059551050000000, 0.375000000000000, 0.111169730000000 ] mass: 207.200000 reduced_to: 27 - symbol: Pb # 28 coordinates: [ 0.059551050000000, 0.875000000000000, 0.111169730000000 ] mass: 207.200000 reduced_to: 27 - symbol: Pb # 29 coordinates: [ 0.940448950000000, 0.125000000000000, 0.888830270000000 ] mass: 207.200000 reduced_to: 29 - symbol: Pb # 30 coordinates: [ 0.940448950000000, 0.625000000000000, 0.888830270000000 ] mass: 207.200000 reduced_to: 29 - symbol: Pb # 31 coordinates: [ 0.356089780000000, 0.375000000000000, 0.341371260000000 ] mass: 207.200000 reduced_to: 31 - symbol: Pb # 32 coordinates: [ 0.356089780000000, 0.875000000000000, 0.341371260000000 ] mass: 207.200000 reduced_to: 31 - symbol: Pb # 33 coordinates: [ 0.143910220000000, 0.125000000000000, 0.841371260000000 ] mass: 207.200000 reduced_to: 33 - symbol: Pb # 34 coordinates: [ 0.143910220000000, 0.625000000000000, 0.841371260000000 ] mass: 207.200000 reduced_to: 33 - symbol: Pb # 35 coordinates: [ 0.856089780000000, 0.375000000000000, 0.158628740000000 ] mass: 207.200000 reduced_to: 35 - symbol: Pb # 36 coordinates: [ 0.856089780000000, 0.875000000000000, 0.158628740000000 ] mass: 207.200000 reduced_to: 35 - symbol: Pb # 37 coordinates: [ 0.440448950000000, 0.125000000000000, 0.611169730000000 ] mass: 207.200000 reduced_to: 37 - symbol: Pb # 38 coordinates: [ 0.440448950000000, 0.625000000000000, 0.611169730000000 ] mass: 207.200000 reduced_to: 37 - symbol: Pb # 39 coordinates: [ 0.559551050000000, 0.375000000000000, 0.388830270000000 ] mass: 207.200000 reduced_to: 39 - symbol: Pb # 40 coordinates: [ 0.559551050000000, 0.875000000000000, 0.388830270000000 ] mass: 207.200000 reduced_to: 39 - symbol: Cl # 41 coordinates: [ 0.716796430000000, 0.375000000000000, 0.445754050000000 ] mass: 35.453000 reduced_to: 41 - symbol: Cl # 42 coordinates: [ 0.716796430000000, 0.875000000000000, 0.445754050000000 ] mass: 35.453000 reduced_to: 41 - symbol: Cl # 43 coordinates: [ 0.216796430000000, 0.375000000000000, 0.054245950000000 ] mass: 35.453000 reduced_to: 43 - symbol: Cl # 44 coordinates: [ 0.216796430000000, 0.875000000000000, 0.054245950000000 ] mass: 35.453000 reduced_to: 43 - symbol: Cl # 45 coordinates: [ 0.783203570000000, 0.125000000000000, 0.945754050000000 ] mass: 35.453000 reduced_to: 45 - symbol: Cl # 46 coordinates: [ 0.783203570000000, 0.625000000000000, 0.945754050000000 ] mass: 35.453000 reduced_to: 45 - symbol: Cl # 47 coordinates: [ 0.283203570000000, 0.125000000000000, 0.554245950000000 ] mass: 35.453000 reduced_to: 47 - symbol: Cl # 48 coordinates: [ 0.283203570000000, 0.625000000000000, 0.554245950000000 ] mass: 35.453000 reduced_to: 47 - symbol: O # 49 coordinates: [ 0.546300870000000, 0.253892655000000, 0.667117070000000 ] mass: 15.999400 reduced_to: 49 - symbol: O # 50 coordinates: [ 0.546300870000000, 0.753892655000000, 0.667117070000000 ] mass: 15.999400 reduced_to: 49 - symbol: O # 51 coordinates: [ 0.953699130000000, 0.003892655000000, 0.167117070000000 ] mass: 15.999400 reduced_to: 51 - symbol: O # 52 coordinates: [ 0.953699130000000, 0.503892655000000, 0.167117070000000 ] mass: 15.999400 reduced_to: 51 - symbol: O # 53 coordinates: [ 0.105738690000000, 0.125000000000000, 0.108511350000000 ] mass: 15.999400 reduced_to: 53 - symbol: O # 54 coordinates: [ 0.105738690000000, 0.625000000000000, 0.108511350000000 ] mass: 15.999400 reduced_to: 53 - symbol: O # 55 coordinates: [ 0.873123150000000, 0.001366340000000, 0.621157700000000 ] mass: 15.999400 reduced_to: 55 - symbol: O # 56 coordinates: [ 0.873123150000000, 0.501366340000000, 0.621157700000000 ] mass: 15.999400 reduced_to: 55 - symbol: O # 57 coordinates: [ 0.640037830000000, 0.375000000000000, 0.840283140000000 ] mass: 15.999400 reduced_to: 57 - symbol: O # 58 coordinates: [ 0.640037830000000, 0.875000000000000, 0.840283140000000 ] mass: 15.999400 reduced_to: 57 - symbol: O # 59 coordinates: [ 0.359962170000000, 0.125000000000000, 0.159716860000000 ] mass: 15.999400 reduced_to: 59 - symbol: O # 60 coordinates: [ 0.359962170000000, 0.625000000000000, 0.159716860000000 ] mass: 15.999400 reduced_to: 59 - symbol: O # 61 coordinates: [ 0.859962170000000, 0.125000000000000, 0.340283140000000 ] mass: 15.999400 reduced_to: 61 - symbol: O # 62 coordinates: [ 0.859962170000000, 0.625000000000000, 0.340283140000000 ] mass: 15.999400 reduced_to: 61 - symbol: O # 63 coordinates: [ 0.453699130000000, 0.003892655000000, 0.332882930000000 ] mass: 15.999400 reduced_to: 63 - symbol: O # 64 coordinates: [ 0.453699130000000, 0.503892655000000, 0.332882930000000 ] mass: 15.999400 reduced_to: 63 - symbol: O # 65 coordinates: [ 0.126876850000000, 0.251366340000000, 0.378842300000000 ] mass: 15.999400 reduced_to: 65 - symbol: O # 66 coordinates: [ 0.126876850000000, 0.751366340000000, 0.378842300000000 ] mass: 15.999400 reduced_to: 65 - symbol: O # 67 coordinates: [ 0.605738690000000, 0.125000000000000, 0.391488650000000 ] mass: 15.999400 reduced_to: 67 - symbol: O # 68 coordinates: [ 0.605738690000000, 0.625000000000000, 0.391488650000000 ] mass: 15.999400 reduced_to: 67 - symbol: O # 69 coordinates: [ 0.046300870000000, 0.496107345000000, 0.832882930000000 ] mass: 15.999400 reduced_to: 69 - symbol: O # 70 coordinates: [ 0.046300870000000, 0.996107345000000, 0.832882930000000 ] mass: 15.999400 reduced_to: 69 - symbol: O # 71 coordinates: [ 0.140037830000000, 0.375000000000000, 0.659716860000000 ] mass: 15.999400 reduced_to: 71 - symbol: O # 72 coordinates: [ 0.140037830000000, 0.875000000000000, 0.659716860000000 ] mass: 15.999400 reduced_to: 71 - symbol: O # 73 coordinates: [ 0.953699130000000, 0.246107345000000, 0.167117070000000 ] mass: 15.999400 reduced_to: 73 - symbol: O # 74 coordinates: [ 0.953699130000000, 0.746107345000000, 0.167117070000000 ] mass: 15.999400 reduced_to: 73 - symbol: O # 75 coordinates: [ 0.126876850000000, 0.498633660000000, 0.378842300000000 ] mass: 15.999400 reduced_to: 75 - symbol: O # 76 coordinates: [ 0.126876850000000, 0.998633660000000, 0.378842300000000 ] mass: 15.999400 reduced_to: 75 - symbol: O # 77 coordinates: [ 0.373123150000000, 0.248633660000000, 0.878842300000000 ] mass: 15.999400 reduced_to: 77 - symbol: O # 78 coordinates: [ 0.373123150000000, 0.748633660000000, 0.878842300000000 ] mass: 15.999400 reduced_to: 77 - symbol: O # 79 coordinates: [ 0.394261310000000, 0.375000000000000, 0.608511350000000 ] mass: 15.999400 reduced_to: 79 - symbol: O # 80 coordinates: [ 0.394261310000000, 0.875000000000000, 0.608511350000000 ] mass: 15.999400 reduced_to: 79 - symbol: O # 81 coordinates: [ 0.626876850000000, 0.498633660000000, 0.121157700000000 ] mass: 15.999400 reduced_to: 81 - symbol: O # 82 coordinates: [ 0.626876850000000, 0.998633660000000, 0.121157700000000 ] mass: 15.999400 reduced_to: 81 - symbol: O # 83 coordinates: [ 0.546300870000000, 0.496107345000000, 0.667117070000000 ] mass: 15.999400 reduced_to: 83 - symbol: O # 84 coordinates: [ 0.546300870000000, 0.996107345000000, 0.667117070000000 ] mass: 15.999400 reduced_to: 83 - symbol: O # 85 coordinates: [ 0.453699130000000, 0.246107345000000, 0.332882930000000 ] mass: 15.999400 reduced_to: 85 - symbol: O # 86 coordinates: [ 0.453699130000000, 0.746107345000000, 0.332882930000000 ] mass: 15.999400 reduced_to: 85 - symbol: O # 87 coordinates: [ 0.046300870000000, 0.253892655000000, 0.832882930000000 ] mass: 15.999400 reduced_to: 87 - symbol: O # 88 coordinates: [ 0.046300870000000, 0.753892655000000, 0.832882930000000 ] mass: 15.999400 reduced_to: 87 - symbol: O # 89 coordinates: [ 0.373123150000000, 0.001366340000000, 0.878842300000000 ] mass: 15.999400 reduced_to: 89 - symbol: O # 90 coordinates: [ 0.373123150000000, 0.501366340000000, 0.878842300000000 ] mass: 15.999400 reduced_to: 89 - symbol: O # 91 coordinates: [ 0.873123150000000, 0.248633660000000, 0.621157700000000 ] mass: 15.999400 reduced_to: 91 - symbol: O # 92 coordinates: [ 0.873123150000000, 0.748633660000000, 0.621157700000000 ] mass: 15.999400 reduced_to: 91 - symbol: O # 93 coordinates: [ 0.894261310000000, 0.375000000000000, 0.891488650000000 ] mass: 15.999400 reduced_to: 93 - symbol: O # 94 coordinates: [ 0.894261310000000, 0.875000000000000, 0.891488650000000 ] mass: 15.999400 reduced_to: 93 - symbol: O # 95 coordinates: [ 0.626876850000000, 0.251366340000000, 0.121157700000000 ] mass: 15.999400 reduced_to: 95 - symbol: O # 96 coordinates: [ 0.626876850000000, 0.751366340000000, 0.121157700000000 ] mass: 15.999400 reduced_to: 95displacements:- atom: 1 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.2546280400000000, 0.0000000000000000, 0.0230039800000000 ] - [ -0.0059451600000000, 0.0000000000000000, -0.0025044200000000 ] - [ 0.0000160200000000, -0.0013057400000000, -0.0004900700000000 ] - [ 0.0000160200000000, 0.0013057400000000, -0.0004900700000000 ] - [ 0.0010182400000000, 0.0000000000000000, -0.0006196200000000 ] - [ 0.0007257600000000, 0.0000000000000000, -0.0007021200000000 ] - [ -0.0032577900000000, -0.0016504700000000, 0.0015706700000000 ] - [ -0.0032577900000000, 0.0016504700000000, 0.0015706700000000 ] - [ -0.0070537600000000, 0.0084506400000000, 0.0068232600000000 ] - [ -0.0070537600000000, -0.0084506400000000, 0.0068232600000000 ] - [ 0.0010876000000000, 0.0005985300000000, -0.0001898600000000 ] - [ 0.0010876000000000, -0.0005985300000000, -0.0001898600000000 ] - [ 0.0011971000000000, 0.0000000000000000, -0.0000597500000000 ] - [ 0.0010969600000000, 0.0000000000000000, -0.0001032300000000 ] - [ 0.0014463800000000, 0.0000000000000000, 0.0003382500000000 ] - [ 0.0010826100000000, 0.0000000000000000, 0.0003595900000000 ] - [ 0.0042363600000000, 0.0000000000000000, 0.0048274700000000 ] - [ -0.0003891400000000, 0.0000000000000000, 0.0028080500000000 ] - [ 0.0012248700000000, 0.0002133000000000, -0.0004516100000000 ] - [ 0.0012248700000000, -0.0002133000000000, -0.0004516100000000 ] - [ 0.0122660500000000, 0.0000000000000000, -0.0187523800000000 ] - [ 0.0001173700000000, 0.0000000000000000, -0.0000895800000000 ] - [ 0.0012332800000000, -0.0000539700000000, -0.0012544200000000 ] - [ 0.0012332800000000, 0.0000539700000000, -0.0012544200000000 ] - [ 0.0018499800000000, -0.0000842700000000, -0.0006702200000000 ] - [ 0.0018499800000000, 0.0000842700000000, -0.0006702200000000 ] - [ 0.0047594600000000, 0.0000000000000000, 0.0070845000000000 ] - [ 0.0014036600000000, 0.0000000000000000, 0.0005313800000000 ] - [ 0.0014881100000000, 0.0007023900000000, -0.0002357000000000 ] - [ 0.0014881100000000, -0.0007023900000000, -0.0002357000000000 ] - [ 0.0134794200000000, 0.0000000000000000, -0.0020277400000000 ] - [ -0.0009332400000000, 0.0000000000000000, -0.0007243700000000 ] - [ -0.0032380900000000, 0.0021744600000000, 0.0005099000000000 ] - [ -0.0032380900000000, -0.0021744600000000, 0.0005099000000000 ] - [ 0.0016529400000000, 0.0000000000000000, -0.0008945000000000 ] - [ 0.0013225400000000, 0.0000000000000000, -0.0008542900000000 ] - [ 0.0020430000000000, -0.0007465600000000, 0.0006131200000000 ] - [ 0.0020430000000000, 0.0007465600000000, 0.0006131200000000 ] - [ 0.0030523500000000, 0.0000000000000000, -0.0001436800000000 ] - [ 0.0022804700000000, 0.0000000000000000, -0.0002459200000000 ] - [ -0.0007178800000000, 0.0000000000000000, 0.0002360000000000 ] - [ -0.0005568000000000, 0.0000000000000000, 0.0002636400000000 ] - [ 0.0050144700000000, 0.0000000000000000, 0.0027719500000000 ] - [ 0.0023808100000000, 0.0000000000000000, -0.0013114200000000 ] - [ -0.0014053100000000, -0.0000375800000000, 0.0004174700000000 ] - [ -0.0014053100000000, 0.0000375800000000, 0.0004174700000000 ] - [ -0.0014432200000000, 0.0048540900000000, -0.0010151100000000 ] - [ -0.0014432200000000, -0.0048540900000000, -0.0010151100000000 ] - [ -0.0006126700000000, -0.0007139500000000, -0.0005622600000000 ] - [ -0.0005291800000000, -0.0009098100000000, -0.0005495600000000 ] - [ -0.0014820700000000, -0.0009825000000000, -0.0004553800000000 ] - [ -0.0019183300000000, -0.0003255900000000, -0.0001069400000000 ] - [ -0.0012594700000000, -0.0015100300000000, -0.0038355500000000 ] - [ -0.0012594700000000, 0.0015100300000000, -0.0038355500000000 ] - [ -0.0002853300000000, -0.0005873500000000, -0.0009141700000000 ] - [ -0.0005741900000000, -0.0002334200000000, -0.0010059500000000 ] - [ -0.0014080200000000, 0.0000000000000000, -0.0014527900000000 ] - [ -0.0011870500000000, 0.0000000000000000, -0.0014323600000000 ] - [ 0.0007291700000000, 0.0007342000000000, 0.0013690500000000 ] - [ 0.0007291700000000, -0.0007342000000000, 0.0013690500000000 ] - [ -0.0014153000000000, -0.0000839300000000, -0.0004577600000000 ] - [ -0.0014153000000000, 0.0000839300000000, -0.0004577600000000 ] - [ -0.0009666100000000, 0.0002499300000000, 0.0001564800000000 ] - [ -0.0033302200000000, -0.0025032700000000, 0.0007356400000000 ] - [ 0.0868640600000000, 0.0443735300000000, 0.0200617600000000 ] - [ 0.0013923500000000, 0.0036248100000000, 0.0024787700000000 ] - [ -0.0009172100000000, 0.0001021100000000, 0.0001971400000000 ] - [ -0.0009172100000000, -0.0001021100000000, 0.0001971400000000 ] - [ 0.0020820900000000, 0.0023412900000000, 0.0015205100000000 ] - [ 0.0004277300000000, 0.0006159400000000, 0.0000976100000000 ] - [ 0.0714030200000000, 0.0000000000000000, -0.0540066500000000 ] - [ 0.0011807600000000, 0.0000000000000000, 0.0009894100000000 ] - [ -0.0019183300000000, 0.0003255900000000, -0.0001069400000000 ] - [ -0.0014820700000000, 0.0009825000000000, -0.0004553800000000 ] - [ 0.0868640600000000, -0.0443735300000000, 0.0200617600000000 ] - [ 0.0013923500000000, -0.0036248100000000, 0.0024787700000000 ] - [ -0.0001218000000000, 0.0034992100000000, -0.0010548800000000 ] - [ 0.0007750500000000, 0.0005586700000000, 0.0002221500000000 ] - [ -0.0015799500000000, 0.0000000000000000, -0.0010905500000000 ] - [ -0.0002815200000000, 0.0000000000000000, -0.0001789500000000 ] - [ -0.0010764400000000, 0.0004902700000000, -0.0007303600000000 ] - [ -0.0010039900000000, 0.0005502800000000, -0.0007354700000000 ] - [ -0.0006126700000000, 0.0007139500000000, -0.0005622600000000 ] - [ -0.0005291800000000, 0.0009098100000000, -0.0005495600000000 ] - [ -0.0033302200000000, 0.0025032700000000, 0.0007356400000000 ] - [ -0.0009666100000000, -0.0002499300000000, 0.0001564800000000 ] - [ 0.0020820900000000, -0.0023412900000000, 0.0015205100000000 ] - [ 0.0004277300000000, -0.0006159400000000, 0.0000976100000000 ] - [ 0.0007750500000000, -0.0005586700000000, 0.0002221500000000 ] - [ -0.0001218000000000, -0.0034992100000000, -0.0010548800000000 ] - [ -0.0005741900000000, 0.0002334200000000, -0.0010059500000000 ] - [ -0.0002853300000000, 0.0005873500000000, -0.0009141700000000 ] - [ -0.0012756200000000, 0.0000000000000000, 0.0000258300000000 ] - [ -0.0008589900000000, 0.0000000000000000, -0.0001622800000000 ] - [ -0.0010764400000000, -0.0004902700000000, -0.0007303600000000 ] - [ -0.0010039900000000, -0.0005502800000000, -0.0007354700000000 ]- atom: 1 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.2583170000000000, 0.0000000000000000, -0.0222269700000000 ] - [ 0.0058351100000000, 0.0000000000000000, 0.0030922100000000 ] - [ -0.0003962000000000, 0.0012993500000000, 0.0006203500000000 ] - [ -0.0003962000000000, -0.0012993500000000, 0.0006203500000000 ] - [ -0.0014352600000000, 0.0000000000000000, -0.0012080100000000 ] - [ -0.0011453600000000, 0.0000000000000000, -0.0011270200000000 ] - [ 0.0032928000000000, 0.0016431900000000, -0.0009656000000000 ] - [ 0.0032928000000000, -0.0016431900000000, -0.0009656000000000 ] - [ 0.0073585700000000, -0.0083160200000000, -0.0049097600000000 ] - [ 0.0073585700000000, 0.0083160200000000, -0.0049097600000000 ] - [ -0.0014585800000000, -0.0005961200000000, 0.0000589400000000 ] - [ -0.0014585800000000, 0.0005961200000000, 0.0000589400000000 ] - [ -0.0012012300000000, 0.0000000000000000, -0.0005211000000000 ] - [ -0.0011110200000000, 0.0000000000000000, -0.0004776100000000 ] - [ -0.0010600600000000, 0.0000000000000000, -0.0004678700000000 ] - [ -0.0006997100000000, 0.0000000000000000, -0.0004889000000000 ] - [ -0.0046690600000000, 0.0000000000000000, -0.0029878900000000 ] - [ -0.0000349200000000, 0.0000000000000000, -0.0009643500000000 ] - [ -0.0011560900000000, -0.0002128800000000, -0.0001416800000000 ] - [ -0.0011560900000000, 0.0002128800000000, -0.0001416800000000 ] - [ -0.0119536100000000, 0.0000000000000000, 0.0191266400000000 ] - [ 0.0002592900000000, 0.0000000000000000, 0.0002232100000000 ] - [ -0.0008056200000000, 0.0000548100000000, -0.0005793800000000 ] - [ -0.0008056200000000, -0.0000548100000000, -0.0005793800000000 ] - [ -0.0014682000000000, 0.0000833000000000, -0.0008965100000000 ] - [ -0.0014682000000000, -0.0000833000000000, -0.0008965100000000 ] - [ -0.0037311800000000, 0.0000000000000000, -0.0067529000000000 ] - [ -0.0003886200000000, 0.0000000000000000, -0.0001602700000000 ] - [ -0.0024889400000000, -0.0006948900000000, -0.0001384000000000 ] - [ -0.0024889400000000, 0.0006948900000000, -0.0001384000000000 ] - [ -0.0137612400000000, 0.0000000000000000, 0.0035398100000000 ] - [ 0.0005523100000000, 0.0000000000000000, 0.0022835400000000 ] - [ 0.0036116200000000, -0.0021375400000000, 0.0010273600000000 ] - [ 0.0036116200000000, 0.0021375400000000, 0.0010273600000000 ] - [ -0.0020245700000000, 0.0000000000000000, -0.0006746700000000 ] - [ -0.0016945200000000, 0.0000000000000000, -0.0007126700000000 ] - [ -0.0030443600000000, 0.0007411300000000, -0.0002421700000000 ] - [ -0.0030443600000000, -0.0007411300000000, -0.0002421700000000 ] - [ -0.0020227200000000, 0.0000000000000000, -0.0002279500000000 ] - [ -0.0012549600000000, 0.0000000000000000, -0.0001247400000000 ] - [ 0.0015735100000000, 0.0000000000000000, 0.0004374400000000 ] - [ 0.0014140700000000, 0.0000000000000000, 0.0004111700000000 ] - [ -0.0041112900000000, 0.0000000000000000, -0.0034464400000000 ] - [ -0.0015007100000000, 0.0000000000000000, 0.0006415800000000 ] - [ 0.0005272400000000, 0.0000385600000000, 0.0002577400000000 ] - [ 0.0005272400000000, -0.0000385600000000, 0.0002577400000000 ] - [ 0.0005600900000000, -0.0047969700000000, 0.0003217600000000 ] - [ 0.0005600900000000, 0.0047969700000000, 0.0003217600000000 ] - [ 0.0018445000000000, -0.0005778700000000, -0.0001179500000000 ] - [ 0.0017616100000000, -0.0003837800000000, -0.0001319100000000 ] - [ 0.0002320700000000, -0.0003107800000000, -0.0002222200000000 ] - [ 0.0006635600000000, -0.0009646100000000, -0.0005689200000000 ] - [ 0.0014270900000000, 0.0014830500000000, 0.0037648200000000 ] - [ 0.0014270900000000, -0.0014830500000000, 0.0037648200000000 ] - [ 0.0009745400000000, -0.0004086200000000, -0.0008070000000000 ] - [ 0.0012623100000000, -0.0007617900000000, -0.0007147900000000 ] - [ 0.0015723500000000, 0.0000000000000000, -0.0003946800000000 ] - [ 0.0013556300000000, 0.0000000000000000, -0.0004093900000000 ] - [ -0.0009078000000000, -0.0007304000000000, 0.0004740000000000 ] - [ -0.0009078000000000, 0.0007304000000000, 0.0004740000000000 ] - [ 0.0012230300000000, 0.0000830400000000, -0.0013794600000000 ] - [ 0.0012230300000000, -0.0000830400000000, -0.0013794600000000 ] - [ -0.0002831700000000, -0.0015368700000000, 0.0005225900000000 ] - [ 0.0020778700000000, 0.0012130200000000, -0.0000526500000000 ] - [ -0.0888958700000000, -0.0475582900000000, -0.0194724600000000 ] - [ -0.0020711200000000, -0.0045769800000000, -0.0007542700000000 ] - [ 0.0010667500000000, -0.0001019600000000, -0.0001676900000000 ] - [ 0.0010667500000000, 0.0001019600000000, -0.0001676900000000 ] - [ -0.0009046800000000, -0.0010092400000000, -0.0008206500000000 ] - [ 0.0008031700000000, 0.0006711300000000, 0.0005793900000000 ] - [ -0.0718142900000000, 0.0000000000000000, 0.0577224500000000 ] - [ -0.0009963100000000, 0.0000000000000000, 0.0008499900000000 ] - [ 0.0006635600000000, 0.0009646100000000, -0.0005689200000000 ] - [ 0.0002320700000000, 0.0003107800000000, -0.0002222200000000 ] - [ -0.0888958700000000, 0.0475582900000000, -0.0194724600000000 ] - [ -0.0020711200000000, 0.0045769800000000, -0.0007542700000000 ] - [ 0.0008099900000000, -0.0024900600000000, 0.0027619300000000 ] - [ -0.0000786400000000, 0.0004391000000000, 0.0014926600000000 ] - [ 0.0014075000000000, 0.0000000000000000, 0.0010511000000000 ] - [ 0.0001172400000000, 0.0000000000000000, 0.0001492500000000 ] - [ 0.0003693300000000, 0.0005069500000000, -0.0009874200000000 ] - [ 0.0002997700000000, 0.0004437900000000, -0.0009839900000000 ] - [ 0.0018445000000000, 0.0005778700000000, -0.0001179500000000 ] - [ 0.0017616100000000, 0.0003837800000000, -0.0001319100000000 ] - [ 0.0020778700000000, -0.0012130200000000, -0.0000526500000000 ] - [ -0.0002831700000000, 0.0015368700000000, 0.0005225900000000 ] - [ -0.0009046800000000, 0.0010092400000000, -0.0008206500000000 ] - [ 0.0008031700000000, -0.0006711300000000, 0.0005793900000000 ] - [ -0.0000786400000000, -0.0004391000000000, 0.0014926600000000 ] - [ 0.0008099900000000, 0.0024900600000000, 0.0027619300000000 ] - [ 0.0012623100000000, 0.0007617900000000, -0.0007147900000000 ] - [ 0.0009745400000000, 0.0004086200000000, -0.0008070000000000 ] - [ 0.0011034600000000, 0.0000000000000000, 0.0000031500000000 ] - [ 0.0006899000000000, 0.0000000000000000, 0.0001885200000000 ] - [ 0.0003693300000000, -0.0005069500000000, -0.0009874200000000 ] - [ 0.0002997700000000, -0.0004437900000000, -0.0009839900000000 ]- atom: 1 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0025609200000000, -0.1856337300000000, 0.0025126200000000 ] - [ -0.0000218500000000, 0.0119347800000000, 0.0003007300000000 ] - [ -0.0008785200000000, 0.0000594400000000, -0.0002199200000000 ] - [ 0.0004988900000000, 0.0000661600000000, 0.0003454400000000 ] - [ -0.0001962800000000, -0.0004439100000000, -0.0009182200000000 ] - [ -0.0001965500000000, 0.0004236200000000, -0.0009201700000000 ] - [ -0.0016205600000000, -0.0000981000000000, 0.0002988400000000 ] - [ 0.0016728600000000, -0.0001043100000000, 0.0002948500000000 ] - [ -0.0007334400000000, 0.0350423100000000, 0.0227739500000000 ] - [ 0.0010015400000000, 0.0352487500000000, -0.0211661000000000 ] - [ 0.0026473500000000, 0.0003352300000000, 0.0015001600000000 ] - [ -0.0030220900000000, 0.0003259500000000, -0.0016280800000000 ] - [ -0.0000197100000000, -0.0000903800000000, -0.0002934700000000 ] - [ -0.0000197900000000, 0.0000883400000000, -0.0002927800000000 ] - [ 0.0001946700000000, -0.0005840600000000, -0.0000656900000000 ] - [ 0.0001952500000000, 0.0005955200000000, -0.0000686900000000 ] - [ -0.0002128600000000, -0.0025150000000000, 0.0009283100000000 ] - [ -0.0001998500000000, 0.0026381100000000, 0.0009226200000000 ] - [ 0.0002479700000000, 0.0000207100000000, -0.0008699500000000 ] - [ -0.0001785200000000, 0.0000166500000000, 0.0002798500000000 ] - [ 0.0002969300000000, -0.0028776300000000, 0.0000089900000000 ] - [ 0.0001831600000000, 0.0023909600000000, 0.0000706800000000 ] - [ 0.0002286100000000, -0.0000011700000000, -0.0008835500000000 ] - [ 0.0001932900000000, -0.0000013900000000, -0.0009532300000000 ] - [ 0.0000985000000000, -0.0000019600000000, -0.0007580800000000 ] - [ 0.0002829200000000, -0.0000013100000000, -0.0008096500000000 ] - [ 0.0005178200000000, -0.0129560200000000, 0.0001945500000000 ] - [ 0.0005004900000000, 0.0059119700000000, 0.0001803000000000 ] - [ 0.0000150900000000, -0.0002764200000000, 0.0001005900000000 ] - [ -0.0010159600000000, -0.0002971500000000, -0.0004785600000000 ] - [ -0.0001866000000000, -0.0025818400000000, 0.0007858100000000 ] - [ -0.0001859400000000, 0.0024819600000000, 0.0007831300000000 ] - [ 0.0012968500000000, 0.0003709900000000, 0.0006425500000000 ] - [ -0.0009556100000000, 0.0003281500000000, 0.0009281600000000 ] - [ -0.0001810000000000, -0.0006594200000000, -0.0007854500000000 ] - [ -0.0001844600000000, 0.0006621000000000, -0.0007834500000000 ] - [ -0.0026449900000000, -0.0000844100000000, 0.0000030500000000 ] - [ 0.0016444100000000, -0.0000832100000000, 0.0003732500000000 ] - [ 0.0005155200000000, -0.0003927400000000, -0.0001851400000000 ] - [ 0.0005133300000000, 0.0003660600000000, -0.0001850600000000 ] - [ 0.0004277300000000, 0.0000733900000000, 0.0003360900000000 ] - [ 0.0004287500000000, -0.0000739000000000, 0.0003368800000000 ] - [ 0.0004378300000000, 0.0039001600000000, -0.0003375600000000 ] - [ 0.0004349900000000, -0.0043428700000000, -0.0003288800000000 ] - [ -0.0004722300000000, -0.0000050900000000, 0.0003618700000000 ] - [ -0.0004025200000000, -0.0000048200000000, 0.0003123000000000 ] - [ 0.0026000500000000, 0.0004446000000000, -0.0000323800000000 ] - [ -0.0034560400000000, 0.0005082500000000, -0.0006217900000000 ] - [ 0.0010583900000000, -0.0000062600000000, -0.0000880200000000 ] - [ 0.0001628500000000, -0.0012966900000000, -0.0006114300000000 ] - [ -0.0009524800000000, -0.0016366700000000, -0.0012448800000000 ] - [ -0.0006242200000000, 0.0005611100000000, 0.0007927800000000 ] - [ -0.0064789400000000, -0.0028460900000000, -0.0093136000000000 ] - [ 0.0066694700000000, -0.0028137000000000, 0.0092403600000000 ] - [ 0.0002307800000000, -0.0008422500000000, -0.0006262500000000 ] - [ 0.0004802300000000, -0.0001486500000000, -0.0010716700000000 ] - [ 0.0000834600000000, 0.0000997100000000, -0.0009188300000000 ] - [ 0.0000803200000000, -0.0000999000000000, -0.0009217900000000 ] - [ 0.0011390200000000, 0.0000069200000000, 0.0008996100000000 ] - [ -0.0013147700000000, 0.0000042900000000, 0.0009432900000000 ] - [ -0.0014748200000000, 0.0000413400000000, -0.0010104300000000 ] - [ 0.0012912800000000, 0.0000430300000000, -0.0008261800000000 ] - [ -0.0007405200000000, -0.0012224600000000, 0.0003732100000000 ] - [ -0.0006445700000000, -0.0001858900000000, 0.0004169700000000 ] - [ 0.0583231400000000, 0.0584219700000000, 0.0156526700000000 ] - [ 0.0001460100000000, -0.0123139000000000, -0.0032243900000000 ] - [ 0.0001050700000000, -0.0000007200000000, -0.0000094400000000 ] - [ 0.0000454300000000, -0.0000011500000000, 0.0000373000000000 ] - [ -0.0001299800000000, 0.0033609600000000, 0.0011686700000000 ] - [ -0.0004168300000000, -0.0010923000000000, -0.0003881300000000 ] - [ 0.0001231900000000, 0.0184445200000000, 0.0006660600000000 ] - [ 0.0000975100000000, -0.0021166300000000, 0.0009114400000000 ] - [ -0.0006258400000000, 0.0018488700000000, -0.0014682000000000 ] - [ -0.0002904100000000, -0.0003404600000000, 0.0005670400000000 ] - [ -0.0616203100000000, 0.0621741700000000, -0.0156834900000000 ] - [ -0.0008306700000000, -0.0113335000000000, 0.0049578100000000 ] - [ 0.0004384000000000, 0.0017672400000000, 0.0005610600000000 ] - [ 0.0001540300000000, -0.0007150900000000, 0.0011127500000000 ] - [ -0.0000740800000000, 0.0008922600000000, -0.0000171000000000 ] - [ -0.0000814600000000, -0.0010266000000000, -0.0000125300000000 ] - [ -0.0003697300000000, 0.0005829300000000, -0.0008355900000000 ] - [ -0.0003342800000000, 0.0004110400000000, -0.0008861700000000 ] - [ 0.0001746900000000, 0.0012895000000000, -0.0005936000000000 ] - [ 0.0010684300000000, -0.0000053500000000, -0.0000659300000000 ] - [ -0.0006194200000000, 0.0011175600000000, 0.0002632300000000 ] - [ -0.0005085500000000, 0.0000650900000000, 0.0003044600000000 ] - [ 0.0013557400000000, 0.0019995500000000, -0.0004312400000000 ] - [ 0.0016578300000000, -0.0023744200000000, 0.0010633700000000 ] - [ 0.0005438800000000, -0.0017130400000000, 0.0006046600000000 ] - [ 0.0002612700000000, 0.0007741300000000, 0.0011574300000000 ] - [ 0.0002068300000000, 0.0008400500000000, -0.0006508500000000 ] - [ 0.0004599600000000, 0.0001571000000000, -0.0010940500000000 ] - [ -0.0000852200000000, 0.0002153700000000, 0.0000164800000000 ] - [ -0.0000855000000000, -0.0001128100000000, 0.0000102300000000 ] - [ -0.0003337400000000, -0.0004108800000000, -0.0008844100000000 ] - [ -0.0003712100000000, -0.0005866300000000, -0.0008323700000000 ]- atom: 1 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0253451900000000, 0.0000000000000000, -0.2045514400000000 ] - [ -0.0028405600000000, 0.0000000000000000, -0.0044627700000000 ] - [ -0.0005684200000000, -0.0001740300000000, -0.0002017300000000 ] - [ -0.0005684200000000, 0.0001740300000000, -0.0002017300000000 ] - [ -0.0010542500000000, 0.0000000000000000, -0.0010235900000000 ] - [ -0.0004034600000000, 0.0000000000000000, -0.0011404900000000 ] - [ -0.0012325600000000, -0.0000118800000000, 0.0007647400000000 ] - [ -0.0012325600000000, 0.0000118800000000, 0.0007647400000000 ] - [ 0.0008353400000000, 0.0194506300000000, 0.0146291200000000 ] - [ 0.0008353400000000, -0.0194506300000000, 0.0146291200000000 ] - [ 0.0010723600000000, 0.0002013400000000, -0.0001512500000000 ] - [ 0.0010723600000000, -0.0002013400000000, -0.0001512500000000 ] - [ -0.0002703300000000, 0.0000000000000000, -0.0003129400000000 ] - [ -0.0002248700000000, 0.0000000000000000, -0.0003400100000000 ] - [ -0.0000249700000000, 0.0000000000000000, -0.0000896900000000 ] - [ -0.0000649600000000, 0.0000000000000000, -0.0000472800000000 ] - [ 0.0017448600000000, 0.0000000000000000, 0.0020952600000000 ] - [ -0.0004539500000000, 0.0000000000000000, 0.0013074800000000 ] - [ -0.0001206900000000, -0.0005763500000000, -0.0011750000000000 ] - [ -0.0001206900000000, 0.0005763500000000, -0.0011750000000000 ] - [ -0.0367799500000000, 0.0000000000000000, 0.0191003100000000 ] - [ 0.0014989700000000, 0.0000000000000000, -0.0020159900000000 ] - [ 0.0000182000000000, -0.0000308800000000, -0.0008419500000000 ] - [ 0.0000182000000000, 0.0000308800000000, -0.0008419500000000 ] - [ -0.0001142900000000, -0.0000333000000000, -0.0008161200000000 ] - [ -0.0001142900000000, 0.0000333000000000, -0.0008161200000000 ] - [ 0.0111060000000000, 0.0000000000000000, 0.0146707100000000 ] - [ 0.0025663900000000, 0.0000000000000000, 0.0023879700000000 ] - [ -0.0021629700000000, -0.0021031200000000, 0.0012671200000000 ] - [ -0.0021629700000000, 0.0021031200000000, 0.0012671200000000 ] - [ -0.0029734600000000, 0.0000000000000000, 0.0009831500000000 ] - [ -0.0009723600000000, 0.0000000000000000, 0.0004788800000000 ] - [ -0.0000769300000000, -0.0080595300000000, 0.0088750700000000 ] - [ -0.0000769300000000, 0.0080595300000000, 0.0088750700000000 ] - [ 0.0002341100000000, 0.0000000000000000, -0.0001914500000000 ] - [ 0.0001245800000000, 0.0000000000000000, -0.0003961400000000 ] - [ -0.0007795400000000, -0.0000953700000000, 0.0003054000000000 ] - [ -0.0007795400000000, 0.0000953700000000, 0.0003054000000000 ] - [ 0.0001613100000000, 0.0000000000000000, -0.0001967300000000 ] - [ 0.0001038300000000, 0.0000000000000000, -0.0002015700000000 ] - [ 0.0006414000000000, 0.0000000000000000, 0.0004093700000000 ] - [ 0.0006069300000000, 0.0000000000000000, 0.0003859300000000 ] - [ 0.0011025500000000, 0.0000000000000000, -0.0064517900000000 ] - [ 0.0002505900000000, 0.0000000000000000, -0.0023139400000000 ] - [ 0.0000342100000000, 0.0000506700000000, 0.0001866000000000 ] - [ 0.0000342100000000, -0.0000506700000000, 0.0001866000000000 ] - [ -0.0003396000000000, -0.0000852100000000, 0.0008720900000000 ] - [ -0.0003396000000000, 0.0000852100000000, 0.0008720900000000 ] - [ 0.0007861800000000, -0.0006371700000000, -0.0003294600000000 ] - [ 0.0007962200000000, -0.0006833200000000, -0.0003438900000000 ] - [ -0.0013342400000000, -0.0004675700000000, -0.0007421000000000 ] - [ -0.0019066400000000, 0.0000193900000000, -0.0003539600000000 ] - [ -0.0030501200000000, -0.0005402700000000, -0.0063956200000000 ] - [ -0.0030501200000000, 0.0005402700000000, -0.0063956200000000 ] - [ 0.0003871100000000, -0.0004393800000000, -0.0006123700000000 ] - [ 0.0012121200000000, -0.0013832300000000, -0.0004634800000000 ] - [ 0.0003125500000000, 0.0000000000000000, -0.0008596900000000 ] - [ 0.0003201400000000, 0.0000000000000000, -0.0008614800000000 ] - [ 0.0004388800000000, 0.0000508700000000, 0.0009262700000000 ] - [ 0.0004388800000000, -0.0000508700000000, 0.0009262700000000 ] - [ -0.0011964600000000, 0.0000653700000000, -0.0005020500000000 ] - [ -0.0011964600000000, -0.0000653700000000, -0.0005020500000000 ] - [ -0.0003292100000000, -0.0005243400000000, 0.0003808200000000 ] - [ -0.0007206200000000, -0.0009995900000000, 0.0003848200000000 ] - [ 0.0279800500000000, 0.0204967800000000, 0.0248621400000000 ] - [ -0.0007560900000000, 0.0050683200000000, 0.0026708800000000 ] - [ 0.0002552000000000, 0.0000175700000000, 0.0000002000000000 ] - [ 0.0002552000000000, -0.0000175700000000, 0.0000002000000000 ] - [ 0.0029801600000000, -0.0056267400000000, -0.0106802500000000 ] - [ 0.0015534200000000, 0.0022492400000000, 0.0005568900000000 ] - [ -0.0481223600000000, 0.0000000000000000, 0.1163284500000000 ] - [ -0.0015542200000000, 0.0000000000000000, 0.0036357400000000 ] - [ -0.0019066400000000, -0.0000193900000000, -0.0003539600000000 ] - [ -0.0013342400000000, 0.0004675700000000, -0.0007421000000000 ] - [ 0.0279800500000000, -0.0204967800000000, 0.0248621400000000 ] - [ -0.0007560900000000, -0.0050683200000000, 0.0026708800000000 ] - [ 0.0001864300000000, 0.0011663900000000, 0.0002836000000000 ] - [ 0.0008220300000000, 0.0006004300000000, 0.0007449500000000 ] - [ -0.0002587800000000, 0.0000000000000000, 0.0002542800000000 ] - [ 0.0001922800000000, 0.0000000000000000, -0.0001572800000000 ] - [ -0.0002197700000000, 0.0004802000000000, -0.0008887800000000 ] - [ -0.0002209100000000, 0.0005216200000000, -0.0008760800000000 ] - [ 0.0007861800000000, 0.0006371700000000, -0.0003294600000000 ] - [ 0.0007962200000000, 0.0006833200000000, -0.0003438900000000 ] - [ -0.0007206200000000, 0.0009995900000000, 0.0003848200000000 ] - [ -0.0003292100000000, 0.0005243400000000, 0.0003808200000000 ] - [ 0.0029801600000000, 0.0056267400000000, -0.0106802500000000 ] - [ 0.0015534200000000, -0.0022492400000000, 0.0005568900000000 ] - [ 0.0008220300000000, -0.0006004300000000, 0.0007449500000000 ] - [ 0.0001864300000000, -0.0011663900000000, 0.0002836000000000 ] - [ 0.0012121200000000, 0.0013832300000000, -0.0004634800000000 ] - [ 0.0003871100000000, 0.0004393800000000, -0.0006123700000000 ] - [ 0.0010056900000000, 0.0000000000000000, -0.0010337100000000 ] - [ 0.0002234200000000, 0.0000000000000000, -0.0000627700000000 ] - [ -0.0002197700000000, -0.0004802000000000, -0.0008887800000000 ] - [ -0.0002209100000000, -0.0005216200000000, -0.0008760800000000 ]- atom: 1 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ -0.0199800100000000, 0.0000000000000000, 0.1984066000000000 ] - [ 0.0027573900000000, 0.0000000000000000, 0.0050246000000000 ] - [ 0.0001904100000000, 0.0001674900000000, 0.0003320800000000 ] - [ 0.0001904100000000, -0.0001674900000000, 0.0003320800000000 ] - [ 0.0006328300000000, 0.0000000000000000, -0.0008066700000000 ] - [ -0.0000164500000000, 0.0000000000000000, -0.0006893500000000 ] - [ 0.0013027300000000, -0.0000081000000000, -0.0001727600000000 ] - [ 0.0013027300000000, 0.0000081000000000, -0.0001727600000000 ] - [ -0.0005119000000000, -0.0194421500000000, -0.0126577200000000 ] - [ -0.0005119000000000, 0.0194421500000000, -0.0126577200000000 ] - [ -0.0014350400000000, -0.0002028500000000, 0.0000363400000000 ] - [ -0.0014350400000000, 0.0002028500000000, 0.0000363400000000 ] - [ 0.0002103000000000, 0.0000000000000000, -0.0002787200000000 ] - [ 0.0001674900000000, 0.0000000000000000, -0.0002522300000000 ] - [ 0.0004084100000000, 0.0000000000000000, -0.0000377300000000 ] - [ 0.0004458400000000, 0.0000000000000000, -0.0000802900000000 ] - [ -0.0021311700000000, 0.0000000000000000, -0.0002529600000000 ] - [ 0.0000232300000000, 0.0000000000000000, 0.0005184100000000 ] - [ 0.0001880300000000, 0.0005734500000000, 0.0005787100000000 ] - [ 0.0001880300000000, -0.0005734500000000, 0.0005787100000000 ] - [ 0.0369263200000000, 0.0000000000000000, -0.0188314100000000 ] - [ -0.0011106300000000, 0.0000000000000000, 0.0021316500000000 ] - [ 0.0004057600000000, 0.0000304100000000, -0.0009882700000000 ] - [ 0.0004057600000000, -0.0000304100000000, -0.0009882700000000 ] - [ 0.0004862700000000, 0.0000329200000000, -0.0007513500000000 ] - [ 0.0004862700000000, -0.0000329200000000, -0.0007513500000000 ] - [ -0.0101663800000000, 0.0000000000000000, -0.0142816500000000 ] - [ -0.0015395900000000, 0.0000000000000000, -0.0020013100000000 ] - [ 0.0011449800000000, 0.0020985600000000, -0.0016340300000000 ] - [ 0.0011449800000000, -0.0020985600000000, -0.0016340300000000 ] - [ 0.0026306900000000, 0.0000000000000000, 0.0006034600000000 ] - [ 0.0005876700000000, 0.0000000000000000, 0.0010902500000000 ] - [ 0.0004166700000000, 0.0080051800000000, -0.0072759300000000 ] - [ 0.0004166700000000, -0.0080051800000000, -0.0072759300000000 ] - [ -0.0006024300000000, 0.0000000000000000, -0.0013726100000000 ] - [ -0.0004922900000000, 0.0000000000000000, -0.0011684100000000 ] - [ -0.0002397300000000, 0.0000886900000000, 0.0000682500000000 ] - [ -0.0002397300000000, -0.0000886900000000, 0.0000682500000000 ] - [ 0.0008616400000000, 0.0000000000000000, -0.0001713800000000 ] - [ 0.0009155100000000, 0.0000000000000000, -0.0001677600000000 ] - [ 0.0002208600000000, 0.0000000000000000, 0.0002661300000000 ] - [ 0.0002556400000000, 0.0000000000000000, 0.0002890700000000 ] - [ -0.0002667400000000, 0.0000000000000000, 0.0057853400000000 ] - [ 0.0006186800000000, 0.0000000000000000, 0.0016301600000000 ] - [ -0.0009005200000000, -0.0000500400000000, 0.0004875200000000 ] - [ -0.0009005200000000, 0.0000500400000000, 0.0004875200000000 ] - [ -0.0005120700000000, 0.0000900900000000, -0.0015389000000000 ] - [ -0.0005120700000000, -0.0000900900000000, -0.0015389000000000 ] - [ 0.0004539500000000, -0.0006530800000000, -0.0003483900000000 ] - [ 0.0004446500000000, -0.0006083600000000, -0.0003333900000000 ] - [ 0.0000862300000000, -0.0008242900000000, 0.0000603800000000 ] - [ 0.0006642100000000, -0.0013206700000000, -0.0003312100000000 ] - [ 0.0031917200000000, 0.0005318800000000, 0.0062758000000000 ] - [ 0.0031917200000000, -0.0005318800000000, 0.0062758000000000 ] - [ 0.0003083000000000, -0.0005569500000000, -0.0011055300000000 ] - [ -0.0005131300000000, 0.0003821800000000, -0.0012527900000000 ] - [ -0.0001401800000000, 0.0000000000000000, -0.0009775900000000 ] - [ -0.0001459100000000, 0.0000000000000000, -0.0009735800000000 ] - [ -0.0006190800000000, -0.0000460000000000, 0.0009093900000000 ] - [ -0.0006190800000000, 0.0000460000000000, 0.0009093900000000 ] - [ 0.0010079500000000, -0.0000642800000000, -0.0013327300000000 ] - [ 0.0010079500000000, 0.0000642800000000, -0.0013327300000000 ] - [ -0.0009112600000000, -0.0007617000000000, 0.0002968200000000 ] - [ -0.0005327700000000, -0.0003018700000000, 0.0002960900000000 ] - [ -0.0291649800000000, -0.0222416700000000, -0.0232116500000000 ] - [ 0.0000756900000000, -0.0060232900000000, -0.0009390800000000 ] - [ -0.0000999200000000, -0.0000170100000000, 0.0000291800000000 ] - [ -0.0000999200000000, 0.0000170100000000, 0.0000291800000000 ] - [ -0.0017663000000000, 0.0069241300000000, 0.0113540600000000 ] - [ -0.0002997100000000, -0.0009456300000000, 0.0001232100000000 ] - [ 0.0444592600000000, 0.0000000000000000, -0.1080839400000000 ] - [ 0.0017201200000000, 0.0000000000000000, -0.0017804500000000 ] - [ 0.0006642100000000, 0.0013206700000000, -0.0003312100000000 ] - [ 0.0000862300000000, 0.0008242900000000, 0.0000603800000000 ] - [ -0.0291649800000000, 0.0222416700000000, -0.0232116500000000 ] - [ 0.0000756900000000, 0.0060232900000000, -0.0009390800000000 ] - [ 0.0005121600000000, -0.0001629800000000, 0.0014390100000000 ] - [ -0.0001275900000000, 0.0003867200000000, 0.0009832200000000 ] - [ 0.0000746600000000, 0.0000000000000000, -0.0002714100000000 ] - [ -0.0003492500000000, 0.0000000000000000, 0.0001363200000000 ] - [ -0.0004808600000000, 0.0005161700000000, -0.0008291400000000 ] - [ -0.0004787300000000, 0.0004740500000000, -0.0008425400000000 ] - [ 0.0004539500000000, 0.0006530800000000, -0.0003483900000000 ] - [ 0.0004446500000000, 0.0006083600000000, -0.0003333900000000 ] - [ -0.0005327700000000, 0.0003018700000000, 0.0002960900000000 ] - [ -0.0009112600000000, 0.0007617000000000, 0.0002968200000000 ] - [ -0.0017663000000000, -0.0069241300000000, 0.0113540600000000 ] - [ -0.0002997100000000, 0.0009456300000000, 0.0001232100000000 ] - [ -0.0001275900000000, -0.0003867200000000, 0.0009832200000000 ] - [ 0.0005121600000000, 0.0001629800000000, 0.0014390100000000 ] - [ -0.0005131300000000, -0.0003821800000000, -0.0012527900000000 ] - [ 0.0003083000000000, 0.0005569500000000, -0.0011055300000000 ] - [ -0.0011637200000000, 0.0000000000000000, 0.0010584600000000 ] - [ -0.0003840600000000, 0.0000000000000000, 0.0000897000000000 ] - [ -0.0004808600000000, -0.0005161700000000, -0.0008291400000000 ] - [ -0.0004787300000000, -0.0004740500000000, -0.0008425400000000 ]- atom: 3 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0001780300000000, -0.0006858100000000, -0.0000822800000000 ] - [ 0.0001780300000000, 0.0006858100000000, -0.0000822800000000 ] - [ -0.1725959400000000, 0.0000000000000000, 0.0441187100000000 ] - [ -0.0014134500000000, 0.0000000000000000, -0.0004713100000000 ] - [ 0.0007924900000000, 0.0001296200000000, -0.0007261000000000 ] - [ 0.0007924900000000, -0.0001296200000000, -0.0007261000000000 ] - [ 0.0119831200000000, 0.0000000000000000, 0.0369175000000000 ] - [ -0.0000335600000000, 0.0000000000000000, -0.0010053900000000 ] - [ 0.0026690700000000, 0.0000000000000000, 0.0004137500000000 ] - [ 0.0005825800000000, 0.0000000000000000, 0.0007783500000000 ] - [ 0.0010288000000000, 0.0000000000000000, -0.0003699000000000 ] - [ 0.0007980600000000, 0.0000000000000000, -0.0003146600000000 ] - [ 0.0012398900000000, 0.0028534500000000, -0.0015597700000000 ] - [ 0.0012398900000000, -0.0028534500000000, -0.0015597700000000 ] - [ -0.0001237200000000, 0.0011746900000000, -0.0018697200000000 ] - [ -0.0001237200000000, -0.0011746900000000, -0.0018697200000000 ] - [ 0.0003055500000000, -0.0055357300000000, 0.0042768200000000 ] - [ 0.0003055500000000, 0.0055357300000000, 0.0042768200000000 ] - [ 0.0012818100000000, 0.0000000000000000, -0.0005127900000000 ] - [ 0.0009172700000000, 0.0000000000000000, -0.0005527700000000 ] - [ 0.0010594000000000, -0.0004091700000000, 0.0000127100000000 ] - [ 0.0010594000000000, 0.0004091700000000, 0.0000127100000000 ] - [ 0.0047996200000000, 0.0000000000000000, -0.0020481600000000 ] - [ 0.0005432500000000, 0.0000000000000000, -0.0001598300000000 ] - [ 0.0010021900000000, 0.0000000000000000, 0.0010294900000000 ] - [ 0.0004386300000000, 0.0000000000000000, -0.0008745500000000 ] - [ 0.0026045600000000, -0.0002472500000000, 0.0000533900000000 ] - [ 0.0026045600000000, 0.0002472500000000, 0.0000533900000000 ] - [ 0.0018644400000000, 0.0000000000000000, -0.0002370700000000 ] - [ 0.0014041800000000, 0.0000000000000000, -0.0001893000000000 ] - [ -0.0052099700000000, -0.0069588500000000, -0.0054018700000000 ] - [ -0.0052099700000000, 0.0069588500000000, -0.0054018700000000 ] - [ 0.0037508600000000, 0.0000000000000000, 0.0005369100000000 ] - [ 0.0011539700000000, 0.0000000000000000, 0.0010033600000000 ] - [ 0.0015167500000000, 0.0001049500000000, -0.0008266500000000 ] - [ 0.0015167500000000, -0.0001049500000000, -0.0008266500000000 ] - [ -0.0083838900000000, 0.0000000000000000, 0.0023362300000000 ] - [ -0.0038989200000000, 0.0000000000000000, 0.0003642500000000 ] - [ -0.0003974200000000, 0.0057906800000000, 0.0029743100000000 ] - [ -0.0003974200000000, -0.0057906800000000, 0.0029743100000000 ] - [ 0.0001557400000000, -0.0005602600000000, 0.0001100100000000 ] - [ 0.0001557400000000, 0.0005602600000000, 0.0001100100000000 ] - [ -0.0006377300000000, 0.0011691300000000, -0.0000156600000000 ] - [ -0.0006377300000000, -0.0011691300000000, -0.0000156600000000 ] - [ -0.0018853700000000, 0.0000000000000000, 0.0006182300000000 ] - [ -0.0013842000000000, 0.0000000000000000, 0.0004739400000000 ] - [ 0.0000171900000000, 0.0000000000000000, -0.0009371200000000 ] - [ 0.0001202000000000, 0.0000000000000000, -0.0006750600000000 ] - [ 0.0017704400000000, -0.0005499400000000, 0.0003265400000000 ] - [ 0.0012132600000000, 0.0007541200000000, 0.0005506600000000 ] - [ -0.0017720700000000, -0.0005455900000000, -0.0001669800000000 ] - [ -0.0017442700000000, -0.0005524900000000, -0.0001915700000000 ] - [ -0.0012675100000000, 0.0000000000000000, -0.0000330900000000 ] - [ -0.0005543300000000, 0.0000000000000000, -0.0000577300000000 ] - [ -0.0003578400000000, -0.0004141300000000, -0.0009485500000000 ] - [ -0.0002899500000000, -0.0005660400000000, -0.0008966900000000 ] - [ 0.0005914400000000, -0.0004866500000000, -0.0003020500000000 ] - [ 0.0005914400000000, 0.0004866500000000, -0.0003020500000000 ] - [ 0.0973723800000000, 0.0000000000000000, -0.0247208900000000 ] - [ 0.0012982700000000, 0.0000000000000000, 0.0018680800000000 ] - [ -0.0015790900000000, 0.0000000000000000, -0.0004697600000000 ] - [ -0.0012729800000000, 0.0000000000000000, -0.0004894700000000 ] - [ 0.0303329000000000, 0.0107649400000000, -0.0161122800000000 ] - [ 0.0019612100000000, -0.0006717300000000, 0.0003168400000000 ] - [ -0.0009796800000000, 0.0004298400000000, 0.0013498400000000 ] - [ -0.0007379300000000, -0.0006792400000000, 0.0008572900000000 ] - [ -0.0051150900000000, 0.0000000000000000, -0.0036010800000000 ] - [ 0.0003904700000000, 0.0000000000000000, -0.0000477400000000 ] - [ -0.0002155600000000, 0.0009890200000000, 0.0005128000000000 ] - [ -0.0011095800000000, 0.0000354800000000, 0.0003443900000000 ] - [ -0.0006638600000000, 0.0002343300000000, 0.0010791500000000 ] - [ -0.0006638600000000, -0.0002343300000000, 0.0010791500000000 ] - [ -0.0017720700000000, 0.0005455900000000, -0.0001669800000000 ] - [ -0.0017442700000000, 0.0005524900000000, -0.0001915700000000 ] - [ -0.0007379300000000, 0.0006792400000000, 0.0008572900000000 ] - [ -0.0009796800000000, -0.0004298400000000, 0.0013498400000000 ] - [ 0.0034308900000000, 0.0075494100000000, -0.0073065200000000 ] - [ 0.0011916800000000, -0.0008547400000000, 0.0011145900000000 ] - [ 0.0031359000000000, 0.0001080300000000, -0.0022889700000000 ] - [ 0.0031359000000000, -0.0001080300000000, -0.0022889700000000 ] - [ -0.0002749800000000, -0.0003782900000000, -0.0014293300000000 ] - [ -0.0029620100000000, 0.0033136000000000, 0.0000339800000000 ] - [ 0.0012132600000000, -0.0007541200000000, 0.0005506600000000 ] - [ 0.0017704400000000, 0.0005499400000000, 0.0003265400000000 ] - [ 0.0303329000000000, -0.0107649400000000, -0.0161122800000000 ] - [ 0.0019612100000000, 0.0006717300000000, 0.0003168400000000 ] - [ -0.0011095800000000, -0.0000354800000000, 0.0003443900000000 ] - [ -0.0002155600000000, -0.0009890200000000, 0.0005128000000000 ] - [ 0.0034308900000000, -0.0075494100000000, -0.0073065200000000 ] - [ 0.0011916800000000, 0.0008547400000000, 0.0011145900000000 ] - [ -0.0003578400000000, 0.0004141300000000, -0.0009485500000000 ] - [ -0.0002899500000000, 0.0005660400000000, -0.0008966900000000 ] - [ -0.0010196000000000, -0.0000072400000000, -0.0001339100000000 ] - [ -0.0010196000000000, 0.0000072400000000, -0.0001339100000000 ] - [ -0.0029620100000000, -0.0033136000000000, 0.0000339800000000 ] - [ -0.0002749800000000, 0.0003782900000000, -0.0014293300000000 ]- atom: 3 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0002349500000000, 0.0006906200000000, 0.0006772000000000 ] - [ -0.0002349500000000, -0.0006906200000000, 0.0006772000000000 ] - [ 0.1793750100000000, 0.0000000000000000, -0.0423947500000000 ] - [ 0.0010294300000000, 0.0000000000000000, 0.0006148300000000 ] - [ -0.0012177300000000, -0.0001275400000000, -0.0011071700000000 ] - [ -0.0012177300000000, 0.0001275400000000, -0.0011071700000000 ] - [ -0.0122403100000000, 0.0000000000000000, -0.0367899300000000 ] - [ 0.0001046200000000, 0.0000000000000000, 0.0016048900000000 ] - [ -0.0022596600000000, 0.0000000000000000, 0.0014253100000000 ] - [ -0.0001570700000000, 0.0000000000000000, 0.0010576700000000 ] - [ -0.0014116800000000, 0.0000000000000000, 0.0002366500000000 ] - [ -0.0011816700000000, 0.0000000000000000, 0.0001817500000000 ] - [ -0.0013062400000000, -0.0028157400000000, 0.0009487800000000 ] - [ -0.0013062400000000, 0.0028157400000000, 0.0009487800000000 ] - [ 0.0004775900000000, -0.0011846900000000, 0.0017312300000000 ] - [ 0.0004775900000000, 0.0011846900000000, 0.0017312300000000 ] - [ -0.0007527300000000, 0.0055815800000000, -0.0024766400000000 ] - [ -0.0007527300000000, -0.0055815800000000, -0.0024766400000000 ] - [ -0.0012313100000000, 0.0000000000000000, -0.0000787100000000 ] - [ -0.0008731400000000, 0.0000000000000000, -0.0000392600000000 ] - [ -0.0006791500000000, 0.0004127600000000, 0.0001134700000000 ] - [ -0.0006791500000000, -0.0004127600000000, 0.0001134700000000 ] - [ -0.0043326700000000, 0.0000000000000000, 0.0001880800000000 ] - [ -0.0001295600000000, 0.0000000000000000, -0.0016595300000000 ] - [ -0.0006547500000000, 0.0000000000000000, -0.0025649200000000 ] - [ -0.0000837800000000, 0.0000000000000000, -0.0006955200000000 ] - [ -0.0015897600000000, 0.0002498100000000, 0.0003200100000000 ] - [ -0.0015897600000000, -0.0002498100000000, 0.0003200100000000 ] - [ -0.0028813000000000, 0.0000000000000000, -0.0001346000000000 ] - [ -0.0024216700000000, 0.0000000000000000, -0.0001816100000000 ] - [ 0.0049515400000000, 0.0069994200000000, 0.0070129800000000 ] - [ 0.0049515400000000, -0.0069994200000000, 0.0070129800000000 ] - [ -0.0033856600000000, 0.0000000000000000, 0.0010294700000000 ] - [ -0.0007794700000000, 0.0000000000000000, 0.0005611900000000 ] - [ -0.0018873000000000, -0.0001025200000000, -0.0007390100000000 ] - [ -0.0018873000000000, 0.0001025200000000, -0.0007390100000000 ] - [ 0.0073970600000000, 0.0000000000000000, -0.0021016300000000 ] - [ 0.0028745400000000, 0.0000000000000000, -0.0000053700000000 ] - [ 0.0013085800000000, -0.0057854300000000, -0.0033368500000000 ] - [ 0.0013085800000000, 0.0057854300000000, -0.0033368500000000 ] - [ 0.0007175600000000, 0.0005519600000000, 0.0005619700000000 ] - [ 0.0007175600000000, -0.0005519600000000, 0.0005619700000000 ] - [ 0.0015008500000000, -0.0011797700000000, -0.0006599500000000 ] - [ 0.0015008500000000, 0.0011797700000000, -0.0006599500000000 ] - [ 0.0010082700000000, 0.0000000000000000, 0.0000588300000000 ] - [ 0.0005136900000000, 0.0000000000000000, 0.0002013100000000 ] - [ -0.0008953200000000, 0.0000000000000000, 0.0002561800000000 ] - [ -0.0009971300000000, 0.0000000000000000, 0.0000057800000000 ] - [ -0.0004968400000000, -0.0007382800000000, -0.0009941600000000 ] - [ 0.0000326800000000, -0.0020493400000000, -0.0012293100000000 ] - [ 0.0005246600000000, -0.0007472200000000, -0.0005126500000000 ] - [ 0.0004964500000000, -0.0007411800000000, -0.0004877800000000 ] - [ 0.0014220900000000, 0.0000000000000000, 0.0000024200000000 ] - [ 0.0007046000000000, 0.0000000000000000, 0.0000268100000000 ] - [ 0.0010525600000000, -0.0005798600000000, -0.0007715300000000 ] - [ 0.0009856600000000, -0.0004314500000000, -0.0008221300000000 ] - [ -0.0003932900000000, 0.0004811300000000, -0.0015232800000000 ] - [ -0.0003932900000000, -0.0004811300000000, -0.0015232800000000 ] - [ -0.1040365700000000, 0.0000000000000000, 0.0261340400000000 ] - [ -0.0014852800000000, 0.0000000000000000, -0.0000363000000000 ] - [ 0.0013949300000000, 0.0000000000000000, -0.0013696400000000 ] - [ 0.0010927200000000, 0.0000000000000000, -0.0013512800000000 ] - [ -0.0315311500000000, -0.0116241500000000, 0.0163658300000000 ] - [ -0.0032112400000000, -0.0006000600000000, 0.0003656700000000 ] - [ 0.0002758000000000, -0.0014333300000000, 0.0003652100000000 ] - [ 0.0000330000000000, -0.0003155100000000, 0.0008617800000000 ] - [ 0.0052035000000000, 0.0000000000000000, 0.0035633700000000 ] - [ -0.0002249900000000, 0.0000000000000000, 0.0000725100000000 ] - [ 0.0014516900000000, 0.0003025100000000, 0.0001676000000000 ] - [ 0.0023502500000000, 0.0012635600000000, 0.0003380200000000 ] - [ 0.0008296700000000, -0.0002360600000000, 0.0007646400000000 ] - [ 0.0008296700000000, 0.0002360600000000, 0.0007646400000000 ] - [ 0.0005246600000000, 0.0007472200000000, -0.0005126500000000 ] - [ 0.0004964500000000, 0.0007411800000000, -0.0004877800000000 ] - [ 0.0000330000000000, 0.0003155100000000, 0.0008617800000000 ] - [ 0.0002758000000000, 0.0014333300000000, 0.0003652100000000 ] - [ -0.0027818700000000, -0.0066334100000000, 0.0091323400000000 ] - [ -0.0005021400000000, 0.0018529100000000, 0.0006076300000000 ] - [ -0.0033237000000000, -0.0001001400000000, 0.0022925200000000 ] - [ -0.0033237000000000, 0.0001001400000000, 0.0022925200000000 ] - [ -0.0004173600000000, 0.0013655100000000, -0.0002994900000000 ] - [ 0.0022500200000000, -0.0022793800000000, -0.0017395800000000 ] - [ 0.0000326800000000, 0.0020493400000000, -0.0012293100000000 ] - [ -0.0004968400000000, 0.0007382800000000, -0.0009941600000000 ] - [ -0.0315311500000000, 0.0116241500000000, 0.0163658300000000 ] - [ -0.0032112400000000, 0.0006000600000000, 0.0003656700000000 ] - [ 0.0023502500000000, -0.0012635600000000, 0.0003380200000000 ] - [ 0.0014516900000000, -0.0003025100000000, 0.0001676000000000 ] - [ -0.0027818700000000, 0.0066334100000000, 0.0091323400000000 ] - [ -0.0005021400000000, -0.0018529100000000, 0.0006076300000000 ] - [ 0.0010525600000000, 0.0005798600000000, -0.0007715300000000 ] - [ 0.0009856600000000, 0.0004314500000000, -0.0008221300000000 ] - [ 0.0008581500000000, 0.0000065400000000, 0.0001636500000000 ] - [ 0.0008581500000000, -0.0000065400000000, 0.0001636500000000 ] - [ 0.0022500200000000, 0.0022793800000000, -0.0017395800000000 ] - [ -0.0004173600000000, -0.0013655100000000, -0.0002994900000000 ]- atom: 3 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0013353500000000, 0.0000622700000000, 0.0001245900000000 ] - [ 0.0012693400000000, 0.0000682000000000, 0.0004653200000000 ] - [ -0.0000784000000000, -0.2208135900000000, -0.0041499100000000 ] - [ -0.0001911000000000, 0.0072666600000000, 0.0000543300000000 ] - [ 0.0001772700000000, -0.0000037500000000, -0.0007986600000000 ] - [ -0.0005968200000000, -0.0000039100000000, -0.0010301900000000 ] - [ 0.0000316500000000, -0.0028750800000000, 0.0004038900000000 ] - [ 0.0000245100000000, 0.0023923900000000, 0.0002897000000000 ] - [ 0.0002186200000000, -0.0010186600000000, 0.0009138700000000 ] - [ 0.0002090900000000, 0.0010077700000000, 0.0009158200000000 ] - [ -0.0001880700000000, -0.0002681700000000, -0.0000684300000000 ] - [ -0.0001883900000000, 0.0002676200000000, -0.0000657900000000 ] - [ 0.0005685500000000, 0.0003277000000000, -0.0004999400000000 ] - [ -0.0006264500000000, 0.0003276000000000, -0.0000956800000000 ] - [ 0.0013676800000000, 0.0001161000000000, -0.0005202700000000 ] - [ -0.0009927900000000, 0.0001168200000000, 0.0003948500000000 ] - [ -0.0017066900000000, 0.0006552400000000, 0.0020354500000000 ] - [ 0.0012738700000000, 0.0006939800000000, -0.0001826800000000 ] - [ 0.0000310900000000, -0.0005868500000000, -0.0002969700000000 ] - [ 0.0000306100000000, 0.0005922700000000, -0.0002967000000000 ] - [ -0.0002210700000000, -0.0000076900000000, 0.0002169200000000 ] - [ 0.0006013000000000, -0.0000033200000000, -0.0000865800000000 ] - [ 0.0002086200000000, -0.0030291500000000, -0.0009154300000000 ] - [ 0.0002137500000000, 0.0024577400000000, -0.0009194600000000 ] - [ 0.0001869200000000, -0.0021725200000000, -0.0007859000000000 ] - [ 0.0001865000000000, 0.0022944100000000, -0.0007826400000000 ] - [ 0.0001386500000000, 0.0000040100000000, 0.0001861400000000 ] - [ 0.0008847600000000, 0.0000058400000000, 0.0001804900000000 ] - [ -0.0005017900000000, -0.0002811800000000, -0.0001842800000000 ] - [ -0.0005033600000000, 0.0002837300000000, -0.0001838300000000 ] - [ -0.0156307000000000, 0.0152196300000000, 0.0073448200000000 ] - [ 0.0151157200000000, 0.0151367000000000, -0.0056939800000000 ] - [ 0.0001991600000000, -0.0006321300000000, 0.0007825600000000 ] - [ 0.0001874200000000, 0.0006025100000000, 0.0007862200000000 ] - [ 0.0001824800000000, -0.0000009300000000, -0.0009431100000000 ] - [ -0.0005479000000000, -0.0000008300000000, -0.0006252000000000 ] - [ -0.0005169400000000, -0.0178895500000000, 0.0001824600000000 ] - [ -0.0005125300000000, 0.0042469600000000, 0.0001902400000000 ] - [ 0.0148164000000000, 0.0113214800000000, 0.0056820700000000 ] - [ -0.0137455200000000, 0.0112722400000000, -0.0059833600000000 ] - [ -0.0018139300000000, 0.0001472100000000, 0.0000446800000000 ] - [ 0.0026713900000000, 0.0001479600000000, 0.0006277000000000 ] - [ 0.0012740700000000, 0.0000412000000000, -0.0000033600000000 ] - [ -0.0004132700000000, 0.0000321800000000, -0.0006656200000000 ] - [ -0.0004333900000000, 0.0002423700000000, 0.0003368600000000 ] - [ -0.0004330300000000, -0.0002835400000000, 0.0003367000000000 ] - [ -0.0004280400000000, 0.0015364200000000, -0.0003393000000000 ] - [ -0.0004277500000000, -0.0023157300000000, -0.0003396000000000 ] - [ 0.0004841600000000, 0.0010676600000000, -0.0021505100000000 ] - [ 0.0006697800000000, -0.0025343100000000, 0.0006517800000000 ] - [ -0.0005921200000000, -0.0003789500000000, -0.0002428300000000 ] - [ -0.0006518200000000, -0.0009109800000000, -0.0004322200000000 ] - [ 0.0000764500000000, 0.0002560600000000, -0.0000113600000000 ] - [ 0.0000782300000000, -0.0002427200000000, -0.0000137900000000 ] - [ 0.0003388800000000, -0.0002081200000000, -0.0009052700000000 ] - [ 0.0003475500000000, -0.0007843200000000, -0.0008162600000000 ] - [ -0.0009270500000000, -0.0000804300000000, -0.0009442100000000 ] - [ 0.0011015300000000, -0.0000815700000000, -0.0008918600000000 ] - [ 0.0000249800000000, 0.0173746600000000, 0.0008974400000000 ] - [ -0.0000784200000000, -0.0025240000000000, 0.0009273100000000 ] - [ -0.0000892400000000, 0.0001234200000000, -0.0009163200000000 ] - [ -0.0000876600000000, -0.0001245600000000, -0.0009200100000000 ] - [ 0.0093708200000000, 0.0850020200000000, -0.0675937500000000 ] - [ -0.0015768200000000, -0.0076230800000000, 0.0014293900000000 ] - [ 0.0000105800000000, 0.0002414800000000, 0.0012921800000000 ] - [ -0.0006235900000000, -0.0012251400000000, 0.0004526200000000 ] - [ 0.0000779700000000, 0.0030918500000000, 0.0000170200000000 ] - [ 0.0000748000000000, -0.0043999200000000, 0.0000138300000000 ] - [ 0.0006487400000000, 0.0003707100000000, 0.0002263100000000 ] - [ 0.0005935700000000, 0.0009119100000000, 0.0004510800000000 ] - [ 0.0011573300000000, -0.0000151000000000, 0.0004420900000000 ] - [ -0.0009842900000000, -0.0000169300000000, 0.0013968900000000 ] - [ -0.0006539400000000, 0.0009077500000000, -0.0004296600000000 ] - [ -0.0005940500000000, 0.0003784400000000, -0.0002444500000000 ] - [ -0.0000743400000000, -0.0002280300000000, 0.0012689000000000 ] - [ -0.0007109400000000, 0.0012305900000000, 0.0004332200000000 ] - [ 0.0009467100000000, 0.0026522600000000, 0.0019429900000000 ] - [ -0.0001409900000000, -0.0015805600000000, 0.0015148600000000 ] - [ 0.0003874400000000, 0.0000972200000000, -0.0038875200000000 ] - [ -0.0005406200000000, 0.0000866100000000, 0.0038455100000000 ] - [ -0.0013367300000000, -0.0009484200000000, -0.0006378400000000 ] - [ 0.0011898100000000, 0.0016348500000000, -0.0009419500000000 ] - [ 0.0005751500000000, -0.0012474300000000, -0.0013389900000000 ] - [ 0.0007639000000000, 0.0023524300000000, 0.0014801800000000 ] - [ -0.0107823300000000, 0.0895914900000000, 0.0723008600000000 ] - [ 0.0003442300000000, -0.0063273600000000, -0.0007692300000000 ] - [ 0.0006385200000000, -0.0003694300000000, 0.0002236300000000 ] - [ 0.0005913200000000, -0.0009199200000000, 0.0004507900000000 ] - [ -0.0002289300000000, 0.0015809800000000, -0.0002714900000000 ] - [ 0.0008513300000000, -0.0025690400000000, 0.0002123400000000 ] - [ 0.0003564300000000, 0.0007863700000000, -0.0008155400000000 ] - [ 0.0003524800000000, 0.0002147700000000, -0.0009021200000000 ] - [ -0.0002545900000000, -0.0000010700000000, 0.0000479100000000 ] - [ 0.0000928600000000, -0.0000015700000000, -0.0000224300000000 ] - [ -0.0018897100000000, 0.0006369800000000, -0.0007787100000000 ] - [ 0.0006364900000000, -0.0019481700000000, -0.0010796500000000 ]- atom: 3 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ -0.0005877600000000, -0.0002835600000000, 0.0000304000000000 ] - [ -0.0005877600000000, 0.0002835600000000, 0.0000304000000000 ] - [ 0.0434775100000000, 0.0000000000000000, -0.2672824300000000 ] - [ -0.0007352100000000, 0.0000000000000000, -0.0023959100000000 ] - [ 0.0000071800000000, -0.0000072900000000, -0.0006228300000000 ] - [ 0.0000071800000000, 0.0000072900000000, -0.0006228300000000 ] - [ 0.0188408500000000, 0.0000000000000000, 0.0193711600000000 ] - [ 0.0001826300000000, 0.0000000000000000, -0.0017682300000000 ] - [ 0.0016460900000000, 0.0000000000000000, 0.0003166100000000 ] - [ 0.0001877600000000, 0.0000000000000000, 0.0006188400000000 ] - [ 0.0001142800000000, 0.0000000000000000, -0.0001844900000000 ] - [ 0.0000569600000000, 0.0000000000000000, -0.0002025400000000 ] - [ 0.0000956700000000, -0.0015689500000000, -0.0003836900000000 ] - [ 0.0000956700000000, 0.0015689500000000, -0.0003836900000000 ] - [ -0.0016045000000000, -0.0004529600000000, 0.0030886500000000 ] - [ -0.0016045000000000, 0.0004529600000000, 0.0030886500000000 ] - [ -0.0001762000000000, -0.0047267100000000, 0.0049793700000000 ] - [ -0.0001762000000000, 0.0047267100000000, 0.0049793700000000 ] - [ 0.0004323300000000, 0.0000000000000000, -0.0003210200000000 ] - [ 0.0004508100000000, 0.0000000000000000, -0.0002778600000000 ] - [ 0.0002400200000000, -0.0001532200000000, 0.0001157500000000 ] - [ 0.0002400200000000, 0.0001532200000000, 0.0001157500000000 ] - [ -0.0008452600000000, 0.0000000000000000, -0.0048458400000000 ] - [ 0.0008852200000000, 0.0000000000000000, -0.0024616400000000 ] - [ 0.0004343600000000, 0.0000000000000000, 0.0007607500000000 ] - [ 0.0002163800000000, 0.0000000000000000, 0.0001923400000000 ] - [ 0.0010573300000000, -0.0001331200000000, 0.0001261000000000 ] - [ 0.0010573300000000, 0.0001331200000000, 0.0001261000000000 ] - [ -0.0000356000000000, 0.0000000000000000, -0.0001353500000000 ] - [ -0.0001325500000000, 0.0000000000000000, -0.0001346100000000 ] - [ -0.0096679900000000, 0.0054704500000000, 0.0016280500000000 ] - [ -0.0096679900000000, -0.0054704500000000, 0.0016280500000000 ] - [ 0.0012805100000000, 0.0000000000000000, 0.0009576800000000 ] - [ 0.0004810300000000, 0.0000000000000000, 0.0009343100000000 ] - [ 0.0001198500000000, -0.0000151700000000, -0.0009231700000000 ] - [ 0.0001198500000000, 0.0000151700000000, -0.0009231700000000 ] - [ -0.0043223200000000, 0.0000000000000000, 0.0254700600000000 ] - [ -0.0012961200000000, 0.0000000000000000, 0.0019775700000000 ] - [ 0.0080036300000000, 0.0059489100000000, 0.0017821300000000 ] - [ 0.0080036300000000, -0.0059489100000000, 0.0017821300000000 ] - [ -0.0012165400000000, 0.0001670300000000, 0.0002470600000000 ] - [ -0.0012165400000000, -0.0001670300000000, 0.0002470600000000 ] - [ 0.0000837000000000, 0.0005703100000000, 0.0000774500000000 ] - [ 0.0000837000000000, -0.0005703100000000, 0.0000774500000000 ] - [ -0.0005922900000000, 0.0000000000000000, 0.0003989400000000 ] - [ -0.0005403500000000, 0.0000000000000000, 0.0003341000000000 ] - [ 0.0004453600000000, 0.0000000000000000, -0.0012081600000000 ] - [ -0.0000159600000000, 0.0000000000000000, -0.0013501000000000 ] - [ 0.0004287900000000, -0.0013040500000000, -0.0027261100000000 ] - [ 0.0015670700000000, -0.0010354800000000, -0.0027252600000000 ] - [ -0.0008758800000000, -0.0005969300000000, -0.0002912400000000 ] - [ -0.0008610900000000, -0.0005608900000000, -0.0002851900000000 ] - [ -0.0004898100000000, 0.0000000000000000, -0.0001561600000000 ] - [ 0.0000177400000000, 0.0000000000000000, 0.0000835900000000 ] - [ 0.0001762400000000, -0.0004821400000000, -0.0009664500000000 ] - [ 0.0001782100000000, -0.0004574300000000, -0.0009717200000000 ] - [ 0.0006772800000000, 0.0000375300000000, -0.0012383000000000 ] - [ 0.0006772800000000, -0.0000375300000000, -0.0012383000000000 ] - [ -0.0191175400000000, 0.0000000000000000, 0.0149115500000000 ] - [ 0.0012193500000000, 0.0000000000000000, 0.0025219000000000 ] - [ -0.0004570300000000, 0.0000000000000000, -0.0007665800000000 ] - [ -0.0004335200000000, 0.0000000000000000, -0.0007779900000000 ] - [ -0.0168516800000000, -0.0774437500000000, 0.1090097000000000 ] - [ -0.0001191100000000, -0.0033204000000000, 0.0005032100000000 ] - [ -0.0005225300000000, 0.0002446200000000, 0.0014009400000000 ] - [ -0.0002674400000000, -0.0004446600000000, 0.0010213700000000 ] - [ -0.0032946400000000, 0.0000000000000000, 0.0019827200000000 ] - [ -0.0011350000000000, 0.0000000000000000, 0.0001628500000000 ] - [ 0.0004653200000000, 0.0006939900000000, 0.0003328300000000 ] - [ 0.0001926100000000, 0.0003482900000000, 0.0002723200000000 ] - [ 0.0003432400000000, 0.0000838800000000, 0.0006972900000000 ] - [ 0.0003432400000000, -0.0000838800000000, 0.0006972900000000 ] - [ -0.0008758800000000, 0.0005969300000000, -0.0002912400000000 ] - [ -0.0008610900000000, 0.0005608900000000, -0.0002851900000000 ] - [ -0.0002674400000000, 0.0004446600000000, 0.0010213700000000 ] - [ -0.0005225300000000, -0.0002446200000000, 0.0014009400000000 ] - [ -0.0021041000000000, 0.0059241400000000, -0.0068334000000000 ] - [ 0.0006398200000000, -0.0010182500000000, 0.0013384200000000 ] - [ 0.0011936900000000, -0.0000359600000000, -0.0022290100000000 ] - [ 0.0011936900000000, 0.0000359600000000, -0.0022290100000000 ] - [ -0.0008343900000000, 0.0011039000000000, 0.0002815600000000 ] - [ 0.0020907700000000, -0.0008121100000000, -0.0000729100000000 ] - [ 0.0015670700000000, 0.0010354800000000, -0.0027252600000000 ] - [ 0.0004287900000000, 0.0013040500000000, -0.0027261100000000 ] - [ -0.0168516800000000, 0.0774437500000000, 0.1090097000000000 ] - [ -0.0001191100000000, 0.0033204000000000, 0.0005032100000000 ] - [ 0.0001926100000000, -0.0003482900000000, 0.0002723200000000 ] - [ 0.0004653200000000, -0.0006939900000000, 0.0003328300000000 ] - [ -0.0021041000000000, -0.0059241400000000, -0.0068334000000000 ] - [ 0.0006398200000000, 0.0010182500000000, 0.0013384200000000 ] - [ 0.0001762400000000, 0.0004821400000000, -0.0009664500000000 ] - [ 0.0001782100000000, 0.0004574300000000, -0.0009717200000000 ] - [ -0.0003341700000000, 0.0000115700000000, -0.0000263600000000 ] - [ -0.0003341700000000, -0.0000115700000000, -0.0000263600000000 ] - [ 0.0020907700000000, 0.0008121100000000, -0.0000729100000000 ] - [ -0.0008343900000000, -0.0011039000000000, 0.0002815600000000 ]- atom: 3 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0005203200000000, 0.0002821600000000, 0.0005620800000000 ] - [ 0.0005203200000000, -0.0002821600000000, 0.0005620800000000 ] - [ -0.0430788100000000, 0.0000000000000000, 0.2611338700000000 ] - [ 0.0003519800000000, 0.0000000000000000, 0.0025262100000000 ] - [ -0.0004261400000000, 0.0000069500000000, -0.0012061800000000 ] - [ -0.0004261400000000, -0.0000069500000000, -0.0012061800000000 ] - [ -0.0190295600000000, 0.0000000000000000, -0.0185598900000000 ] - [ -0.0001251900000000, 0.0000000000000000, 0.0023769700000000 ] - [ -0.0012153400000000, 0.0000000000000000, 0.0015109700000000 ] - [ 0.0002342100000000, 0.0000000000000000, 0.0012141600000000 ] - [ -0.0004902000000000, 0.0000000000000000, 0.0000553700000000 ] - [ -0.0004342000000000, 0.0000000000000000, 0.0000729500000000 ] - [ -0.0001548500000000, 0.0015592900000000, -0.0001957100000000 ] - [ -0.0001548500000000, -0.0015592900000000, -0.0001957100000000 ] - [ 0.0019977100000000, 0.0004624400000000, -0.0032127000000000 ] - [ 0.0019977100000000, -0.0004624400000000, -0.0032127000000000 ] - [ -0.0002405900000000, 0.0047521000000000, -0.0031499200000000 ] - [ -0.0002405900000000, -0.0047521000000000, -0.0031499200000000 ] - [ -0.0003817300000000, 0.0000000000000000, -0.0002661000000000 ] - [ -0.0004006800000000, 0.0000000000000000, -0.0003088900000000 ] - [ 0.0001410800000000, 0.0001503200000000, 0.0000172900000000 ] - [ 0.0001410800000000, -0.0001503200000000, 0.0000172900000000 ] - [ 0.0012262000000000, 0.0000000000000000, 0.0030151400000000 ] - [ -0.0004601100000000, 0.0000000000000000, 0.0006268800000000 ] - [ -0.0000425000000000, 0.0000000000000000, -0.0023396800000000 ] - [ 0.0001621000000000, 0.0000000000000000, -0.0017594000000000 ] - [ -0.0000367100000000, 0.0001300700000000, 0.0002463800000000 ] - [ -0.0000367100000000, -0.0001300700000000, 0.0002463800000000 ] - [ -0.0009757800000000, 0.0000000000000000, -0.0002322700000000 ] - [ -0.0008802600000000, 0.0000000000000000, -0.0002335600000000 ] - [ 0.0092442800000000, -0.0054531200000000, -0.0000980000000000 ] - [ 0.0092442800000000, 0.0054531200000000, -0.0000980000000000 ] - [ -0.0008900900000000, 0.0000000000000000, 0.0006116900000000 ] - [ -0.0001063300000000, 0.0000000000000000, 0.0006362400000000 ] - [ -0.0004883200000000, 0.0000146600000000, -0.0006431100000000 ] - [ -0.0004883200000000, -0.0000146600000000, -0.0006431100000000 ] - [ 0.0032567400000000, 0.0000000000000000, -0.0247551100000000 ] - [ 0.0002709000000000, 0.0000000000000000, -0.0016135000000000 ] - [ -0.0069668800000000, -0.0059336500000000, -0.0021748100000000 ] - [ -0.0069668800000000, 0.0059336500000000, -0.0021748100000000 ] - [ 0.0020758400000000, -0.0001653400000000, 0.0004288500000000 ] - [ 0.0020758400000000, 0.0001653400000000, 0.0004288500000000 ] - [ 0.0007794800000000, -0.0005671500000000, -0.0007504000000000 ] - [ 0.0007794800000000, 0.0005671500000000, -0.0007504000000000 ] - [ -0.0002723400000000, 0.0000000000000000, 0.0002760400000000 ] - [ -0.0003244100000000, 0.0000000000000000, 0.0003401100000000 ] - [ -0.0012890200000000, 0.0000000000000000, 0.0005353200000000 ] - [ -0.0008446700000000, 0.0000000000000000, 0.0006886700000000 ] - [ 0.0007927100000000, -0.0000002200000000, 0.0020503700000000 ] - [ -0.0003285200000000, -0.0002460500000000, 0.0020573900000000 ] - [ -0.0003680600000000, -0.0006929700000000, -0.0003828900000000 ] - [ -0.0003831100000000, -0.0007281300000000, -0.0003882000000000 ] - [ 0.0006432300000000, 0.0000000000000000, 0.0001324000000000 ] - [ 0.0001400800000000, 0.0000000000000000, -0.0001066200000000 ] - [ 0.0005213000000000, -0.0005141200000000, -0.0007525200000000 ] - [ 0.0005197300000000, -0.0005387600000000, -0.0007469100000000 ] - [ -0.0005214300000000, -0.0000367600000000, -0.0006043400000000 ] - [ -0.0005214300000000, 0.0000367600000000, -0.0006043400000000 ] - [ 0.0191193200000000, 0.0000000000000000, -0.0133333600000000 ] - [ -0.0013901500000000, 0.0000000000000000, -0.0006917700000000 ] - [ 0.0002796900000000, 0.0000000000000000, -0.0010677900000000 ] - [ 0.0002571100000000, 0.0000000000000000, -0.0010563300000000 ] - [ 0.0152125500000000, 0.0722831700000000, -0.1054121700000000 ] - [ -0.0011100000000000, 0.0020341500000000, 0.0001715100000000 ] - [ -0.0001782100000000, -0.0012366200000000, 0.0003237400000000 ] - [ -0.0004300600000000, -0.0005515700000000, 0.0007017900000000 ] - [ 0.0034885600000000, 0.0000000000000000, -0.0018826700000000 ] - [ 0.0012874400000000, 0.0000000000000000, -0.0001283800000000 ] - [ 0.0007754500000000, 0.0005984300000000, 0.0003468000000000 ] - [ 0.0010422100000000, 0.0009374200000000, 0.0004069100000000 ] - [ -0.0001702500000000, -0.0000820900000000, 0.0011428700000000 ] - [ -0.0001702500000000, 0.0000820900000000, 0.0011428700000000 ] - [ -0.0003680600000000, 0.0006929700000000, -0.0003828900000000 ] - [ -0.0003831100000000, 0.0007281300000000, -0.0003882000000000 ] - [ -0.0004300600000000, 0.0005515700000000, 0.0007017900000000 ] - [ -0.0001782100000000, 0.0012366200000000, 0.0003237400000000 ] - [ 0.0029012200000000, -0.0049195900000000, 0.0085562200000000 ] - [ 0.0000584700000000, 0.0020221100000000, 0.0003760700000000 ] - [ -0.0013462700000000, 0.0000280200000000, 0.0022249700000000 ] - [ -0.0013462700000000, -0.0000280200000000, 0.0022249700000000 ] - [ 0.0001322400000000, -0.0001061900000000, -0.0019980700000000 ] - [ -0.0027815500000000, 0.0017964000000000, -0.0016595700000000 ] - [ -0.0003285200000000, 0.0002460500000000, 0.0020573900000000 ] - [ 0.0007927100000000, 0.0000002200000000, 0.0020503700000000 ] - [ 0.0152125500000000, -0.0722831700000000, -0.1054121700000000 ] - [ -0.0011100000000000, -0.0020341500000000, 0.0001715100000000 ] - [ 0.0010422100000000, -0.0009374200000000, 0.0004069100000000 ] - [ 0.0007754500000000, -0.0005984300000000, 0.0003468000000000 ] - [ 0.0029012200000000, 0.0049195900000000, 0.0085562200000000 ] - [ 0.0000584700000000, -0.0020221100000000, 0.0003760700000000 ] - [ 0.0005213000000000, 0.0005141200000000, -0.0007525200000000 ] - [ 0.0005197300000000, 0.0005387600000000, -0.0007469100000000 ] - [ 0.0001732400000000, -0.0000112000000000, 0.0000534200000000 ] - [ 0.0001732400000000, 0.0000112000000000, 0.0000534200000000 ] - [ -0.0027815500000000, -0.0017964000000000, -0.0016595700000000 ] - [ 0.0001322400000000, 0.0001061900000000, -0.0019980700000000 ]- atom: 5 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0011907500000000, 0.0000000000000000, -0.0005534900000000 ] - [ 0.0008999300000000, 0.0000000000000000, 0.0001035100000000 ] - [ 0.0008131400000000, 0.0003846500000000, 0.0002804900000000 ] - [ 0.0008131400000000, -0.0003846500000000, 0.0002804900000000 ] - [ -0.2567301900000000, 0.0000000000000000, -0.0343827100000000 ] - [ -0.0033945200000000, 0.0000000000000000, 0.0013902900000000 ] - [ 0.0010510800000000, 0.0000161800000000, 0.0004889200000000 ] - [ 0.0010510800000000, -0.0000161800000000, 0.0004889200000000 ] - [ 0.0010578200000000, -0.0002594500000000, 0.0010890700000000 ] - [ 0.0010578200000000, 0.0002594500000000, 0.0010890700000000 ] - [ 0.0003293400000000, -0.0014871000000000, -0.0000811400000000 ] - [ 0.0003293400000000, 0.0014871000000000, -0.0000811400000000 ] - [ 0.0044286900000000, 0.0000000000000000, -0.0022336700000000 ] - [ -0.0001963500000000, 0.0000000000000000, -0.0000601100000000 ] - [ 0.0026436600000000, 0.0000000000000000, 0.0013598800000000 ] - [ 0.0005614700000000, 0.0000000000000000, -0.0000870400000000 ] - [ 0.0008079000000000, 0.0000000000000000, 0.0006517100000000 ] - [ 0.0006410500000000, 0.0000000000000000, 0.0006752100000000 ] - [ -0.0070779800000000, -0.0007880700000000, 0.0004241300000000 ] - [ -0.0070779800000000, 0.0007880700000000, 0.0004241300000000 ] - [ 0.0047738700000000, 0.0000000000000000, 0.0011078200000000 ] - [ 0.0005203700000000, 0.0000000000000000, -0.0006099500000000 ] - [ -0.0002532700000000, 0.0026240800000000, -0.0014607200000000 ] - [ -0.0002532700000000, -0.0026240800000000, -0.0014607200000000 ] - [ 0.0012467300000000, 0.0025262400000000, -0.0002975700000000 ] - [ 0.0012467300000000, -0.0025262400000000, -0.0002975700000000 ] - [ 0.0023669900000000, 0.0000000000000000, 0.0004473000000000 ] - [ 0.0012965700000000, 0.0000000000000000, 0.0004935600000000 ] - [ 0.0023888000000000, -0.0097209600000000, 0.0024423900000000 ] - [ 0.0023888000000000, 0.0097209600000000, 0.0024423900000000 ] - [ 0.0014162500000000, 0.0000000000000000, 0.0008766400000000 ] - [ 0.0011221600000000, 0.0000000000000000, 0.0008759000000000 ] - [ 0.0017266800000000, -0.0003080600000000, 0.0008239000000000 ] - [ 0.0017266800000000, 0.0003080600000000, 0.0008239000000000 ] - [ -0.0078797900000000, 0.0000000000000000, 0.0076814200000000 ] - [ -0.0039445400000000, 0.0000000000000000, -0.0015845100000000 ] - [ 0.0012649700000000, 0.0002795400000000, 0.0001844100000000 ] - [ 0.0012649700000000, -0.0002795400000000, 0.0001844100000000 ] - [ 0.0040403100000000, 0.0000000000000000, -0.0003208600000000 ] - [ 0.0009906700000000, 0.0000000000000000, -0.0002364100000000 ] - [ -0.0008783700000000, 0.0000000000000000, -0.0035583400000000 ] - [ 0.0018677400000000, 0.0000000000000000, 0.0007329000000000 ] - [ -0.0004831600000000, 0.0000000000000000, -0.0002819100000000 ] - [ -0.0003094100000000, 0.0000000000000000, -0.0003056500000000 ] - [ 0.0026653600000000, -0.0039813200000000, 0.0027803100000000 ] - [ 0.0026653600000000, 0.0039813200000000, 0.0027803100000000 ] - [ -0.0013510600000000, 0.0000141800000000, -0.0004036900000000 ] - [ -0.0013510600000000, -0.0000141800000000, -0.0004036900000000 ] - [ 0.0001112400000000, -0.0016393800000000, -0.0007564800000000 ] - [ -0.0003181500000000, -0.0004096900000000, -0.0003738000000000 ] - [ 0.0001138200000000, 0.0006977500000000, -0.0007741900000000 ] - [ -0.0016680200000000, -0.0017212300000000, -0.0016019800000000 ] - [ -0.0005733300000000, 0.0001653100000000, -0.0002457400000000 ] - [ -0.0005733300000000, -0.0001653100000000, -0.0002457400000000 ] - [ 0.0019635000000000, 0.0021175500000000, -0.0017461000000000 ] - [ 0.0651976500000000, 0.0375166000000000, -0.0306767700000000 ] - [ -0.0030455200000000, 0.0000000000000000, -0.0007175100000000 ] - [ -0.0000062900000000, 0.0000000000000000, -0.0010117000000000 ] - [ -0.0013389600000000, -0.0000497500000000, 0.0004701900000000 ] - [ -0.0013389600000000, 0.0000497500000000, 0.0004701900000000 ] - [ 0.0003726100000000, 0.0023485300000000, 0.0012599800000000 ] - [ 0.0003726100000000, -0.0023485300000000, 0.0012599800000000 ] - [ -0.0013109700000000, -0.0009159200000000, 0.0003830400000000 ] - [ -0.0019317000000000, -0.0001437900000000, 0.0000271400000000 ] - [ -0.0009831900000000, -0.0001908300000000, 0.0009936900000000 ] - [ -0.0008253400000000, -0.0005939600000000, 0.0007604300000000 ] - [ -0.0004164500000000, -0.0007195200000000, 0.0000088600000000 ] - [ -0.0004164500000000, 0.0007195200000000, 0.0000088600000000 ] - [ -0.0001658600000000, -0.0000039800000000, -0.0003388400000000 ] - [ -0.0006687900000000, 0.0011743000000000, 0.0007044900000000 ] - [ -0.0023519000000000, 0.0000000000000000, 0.0012612100000000 ] - [ -0.0009355300000000, 0.0000000000000000, 0.0014837200000000 ] - [ -0.0016680200000000, 0.0017212300000000, -0.0016019800000000 ] - [ 0.0001138200000000, -0.0006977500000000, -0.0007741900000000 ] - [ -0.0009831900000000, 0.0001908300000000, 0.0009936900000000 ] - [ -0.0008253400000000, 0.0005939600000000, 0.0007604300000000 ] - [ -0.0003270000000000, 0.0004400700000000, 0.0009647500000000 ] - [ -0.0002365100000000, 0.0005043500000000, 0.0009568900000000 ] - [ -0.0009910800000000, 0.0000000000000000, 0.0001151300000000 ] - [ -0.0008586100000000, 0.0000000000000000, 0.0001172400000000 ] - [ -0.0013990500000000, 0.0026697800000000, -0.0001749300000000 ] - [ -0.0005004700000000, -0.0001374800000000, -0.0010057100000000 ] - [ 0.0001112400000000, 0.0016393800000000, -0.0007564800000000 ] - [ -0.0003181500000000, 0.0004096900000000, -0.0003738000000000 ] - [ -0.0019317000000000, 0.0001437900000000, 0.0000271400000000 ] - [ -0.0013109700000000, 0.0009159200000000, 0.0003830400000000 ] - [ -0.0001658600000000, 0.0000039800000000, -0.0003388400000000 ] - [ -0.0006687900000000, -0.0011743000000000, 0.0007044900000000 ] - [ -0.0002365100000000, -0.0005043500000000, 0.0009568900000000 ] - [ -0.0003270000000000, -0.0004400700000000, 0.0009647500000000 ] - [ 0.0651976500000000, -0.0375166000000000, -0.0306767700000000 ] - [ 0.0019635000000000, -0.0021175500000000, -0.0017461000000000 ] - [ 0.1327124800000000, 0.0000000000000000, 0.0767092300000000 ] - [ 0.0018111500000000, 0.0000000000000000, -0.0003496400000000 ] - [ -0.0013990500000000, -0.0026697800000000, -0.0001749300000000 ] - [ -0.0005004700000000, 0.0001374800000000, -0.0010057100000000 ]- atom: 5 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0012589500000000, 0.0000000000000000, 0.0011354300000000 ] - [ -0.0009671100000000, 0.0000000000000000, 0.0004902300000000 ] - [ -0.0011972200000000, -0.0003902900000000, -0.0001527900000000 ] - [ -0.0011972200000000, 0.0003902900000000, -0.0001527900000000 ] - [ 0.2514078900000000, 0.0000000000000000, 0.0296215000000000 ] - [ 0.0029983400000000, 0.0000000000000000, -0.0032477300000000 ] - [ -0.0009915500000000, -0.0000177900000000, 0.0001034100000000 ] - [ -0.0009915500000000, 0.0000177900000000, 0.0001034100000000 ] - [ -0.0006435200000000, 0.0002556000000000, 0.0007399200000000 ] - [ -0.0006435200000000, -0.0002556000000000, 0.0007399200000000 ] - [ -0.0007295500000000, 0.0014933900000000, -0.0000147200000000 ] - [ -0.0007295500000000, -0.0014933900000000, -0.0000147200000000 ] - [ -0.0044781800000000, 0.0000000000000000, 0.0016418700000000 ] - [ 0.0001554000000000, 0.0000000000000000, -0.0005364500000000 ] - [ -0.0022844200000000, 0.0000000000000000, -0.0015011600000000 ] - [ -0.0001783100000000, 0.0000000000000000, -0.0000394900000000 ] - [ -0.0012256800000000, 0.0000000000000000, 0.0011883200000000 ] - [ -0.0010611500000000, 0.0000000000000000, 0.0011636400000000 ] - [ 0.0073303800000000, 0.0009493400000000, -0.0009224100000000 ] - [ 0.0073303800000000, -0.0009493400000000, -0.0009224100000000 ] - [ -0.0043590800000000, 0.0000000000000000, -0.0009603900000000 ] - [ -0.0001509100000000, 0.0000000000000000, 0.0007383100000000 ] - [ 0.0006848000000000, -0.0026541000000000, -0.0003763600000000 ] - [ 0.0006848000000000, 0.0026541000000000, -0.0003763600000000 ] - [ -0.0008774200000000, -0.0025510200000000, -0.0012685300000000 ] - [ -0.0008774200000000, 0.0025510200000000, -0.0012685300000000 ] - [ -0.0013774200000000, 0.0000000000000000, -0.0000700100000000 ] - [ -0.0002997000000000, 0.0000000000000000, -0.0001204900000000 ] - [ -0.0034284000000000, 0.0096791600000000, -0.0028096600000000 ] - [ -0.0034284000000000, -0.0096791600000000, -0.0028096600000000 ] - [ -0.0017995400000000, 0.0000000000000000, 0.0006918900000000 ] - [ -0.0015028400000000, 0.0000000000000000, 0.0006939900000000 ] - [ -0.0013648200000000, 0.0003010800000000, 0.0007476100000000 ] - [ -0.0013648200000000, -0.0003010800000000, 0.0007476100000000 ] - [ 0.0075257200000000, 0.0000000000000000, -0.0092982600000000 ] - [ 0.0035921100000000, 0.0000000000000000, 0.0000215500000000 ] - [ -0.0022915000000000, -0.0002843600000000, 0.0001871100000000 ] - [ -0.0022915000000000, 0.0002843600000000, 0.0001871100000000 ] - [ -0.0030566200000000, 0.0000000000000000, -0.0000503500000000 ] - [ 0.0000264600000000, 0.0000000000000000, -0.0001346700000000 ] - [ 0.0017915400000000, 0.0000000000000000, 0.0043192700000000 ] - [ -0.0010150000000000, 0.0000000000000000, -0.0000606700000000 ] - [ 0.0013551200000000, 0.0000000000000000, -0.0003911800000000 ] - [ 0.0011813800000000, 0.0000000000000000, -0.0003676200000000 ] - [ -0.0035651100000000, 0.0040103700000000, -0.0021195500000000 ] - [ -0.0035651100000000, -0.0040103700000000, -0.0021195500000000 ] - [ 0.0004930800000000, -0.0000136800000000, -0.0002682000000000 ] - [ 0.0004930800000000, 0.0000136800000000, -0.0002682000000000 ] - [ 0.0011327900000000, 0.0003565300000000, 0.0000809900000000 ] - [ 0.0015659900000000, -0.0008853400000000, -0.0003048600000000 ] - [ -0.0013541400000000, -0.0020051000000000, 0.0000866400000000 ] - [ 0.0004360100000000, 0.0004306600000000, 0.0009346000000000 ] - [ 0.0007392300000000, -0.0001641000000000, 0.0002178300000000 ] - [ 0.0007392300000000, 0.0001641000000000, 0.0002178300000000 ] - [ -0.0012898900000000, -0.0031726600000000, 0.0000453200000000 ] - [ -0.0640758700000000, -0.0372768100000000, 0.0281051800000000 ] - [ 0.0032340600000000, 0.0000000000000000, -0.0011290300000000 ] - [ 0.0001729900000000, 0.0000000000000000, -0.0008287300000000 ] - [ 0.0011714300000000, 0.0000505400000000, 0.0013705100000000 ] - [ 0.0011714300000000, -0.0000505400000000, 0.0013705100000000 ] - [ -0.0005559700000000, -0.0023760800000000, -0.0031654700000000 ] - [ -0.0005559700000000, 0.0023760800000000, -0.0031654700000000 ] - [ 0.0000728900000000, -0.0003727100000000, 0.0002956500000000 ] - [ 0.0007006500000000, -0.0011548700000000, 0.0006562400000000 ] - [ 0.0002901900000000, -0.0007990900000000, 0.0007328500000000 ] - [ 0.0001323200000000, -0.0004036600000000, 0.0009605100000000 ] - [ 0.0005729600000000, 0.0007275300000000, 0.0000218000000000 ] - [ 0.0005729600000000, -0.0007275300000000, 0.0000218000000000 ] - [ 0.0014143200000000, 0.0012899700000000, 0.0010060700000000 ] - [ 0.0019213800000000, 0.0001186100000000, -0.0000266500000000 ] - [ 0.0025203700000000, 0.0000000000000000, 0.0005734500000000 ] - [ 0.0011213900000000, 0.0000000000000000, 0.0003518800000000 ] - [ 0.0004360100000000, -0.0004306600000000, 0.0009346000000000 ] - [ -0.0013541400000000, 0.0020051000000000, 0.0000866400000000 ] - [ 0.0002901900000000, 0.0007990900000000, 0.0007328500000000 ] - [ 0.0001323200000000, 0.0004036600000000, 0.0009605100000000 ] - [ 0.0010288000000000, 0.0005580000000000, 0.0007543800000000 ] - [ 0.0009393500000000, 0.0004890300000000, 0.0007646000000000 ] - [ 0.0008366700000000, 0.0000000000000000, -0.0001403800000000 ] - [ 0.0007087300000000, 0.0000000000000000, -0.0001480300000000 ] - [ 0.0007006300000000, -0.0016866700000000, -0.0015480600000000 ] - [ -0.0002016800000000, 0.0011447100000000, -0.0007073300000000 ] - [ 0.0011327900000000, -0.0003565300000000, 0.0000809900000000 ] - [ 0.0015659900000000, 0.0008853400000000, -0.0003048600000000 ] - [ 0.0007006500000000, 0.0011548700000000, 0.0006562400000000 ] - [ 0.0000728900000000, 0.0003727100000000, 0.0002956500000000 ] - [ 0.0014143200000000, -0.0012899700000000, 0.0010060700000000 ] - [ 0.0019213800000000, -0.0001186100000000, -0.0000266500000000 ] - [ 0.0009393500000000, -0.0004890300000000, 0.0007646000000000 ] - [ 0.0010288000000000, -0.0005580000000000, 0.0007543800000000 ] - [ -0.0640758700000000, 0.0372768100000000, 0.0281051800000000 ] - [ -0.0012898900000000, 0.0031726600000000, 0.0000453200000000 ] - [ -0.1291646700000000, 0.0000000000000000, -0.0722493300000000 ] - [ -0.0019696900000000, 0.0000000000000000, 0.0003893600000000 ] - [ 0.0007006300000000, 0.0016866700000000, -0.0015480600000000 ] - [ -0.0002016800000000, -0.0011447100000000, -0.0007073300000000 ]- atom: 5 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0000296900000000, -0.0004430100000000, 0.0002992100000000 ] - [ -0.0000279600000000, 0.0004241900000000, 0.0002966500000000 ] - [ -0.0000638100000000, -0.0000043400000000, 0.0000565900000000 ] - [ -0.0003221700000000, -0.0000064000000000, 0.0000722900000000 ] - [ -0.0017362700000000, -0.1630898100000000, 0.0014935500000000 ] - [ -0.0002025100000000, 0.0129553700000000, -0.0009220000000000 ] - [ -0.0000286400000000, 0.0000003600000000, 0.0003270000000000 ] - [ 0.0000797200000000, -0.0000010100000000, 0.0002659600000000 ] - [ -0.0000495600000000, 0.0000042000000000, 0.0008233900000000 ] - [ 0.0004655600000000, 0.0000005700000000, 0.0010090400000000 ] - [ -0.0057447200000000, 0.0006880100000000, 0.0046821800000000 ] - [ 0.0053723500000000, 0.0006653100000000, -0.0047963000000000 ] - [ -0.0000319000000000, -0.0025164100000000, -0.0002956800000000 ] - [ -0.0000314300000000, 0.0026369300000000, -0.0002988000000000 ] - [ 0.0001906100000000, -0.0010160700000000, -0.0000637500000000 ] - [ 0.0001868100000000, 0.0010102800000000, -0.0000674000000000 ] - [ -0.0002063600000000, -0.0001176500000000, 0.0009225700000000 ] - [ -0.0002000000000000, 0.0001180300000000, 0.0009209000000000 ] - [ 0.0084509900000000, 0.0350425200000000, 0.0190371400000000 ] - [ -0.0083151800000000, 0.0352470100000000, -0.0198570700000000 ] - [ 0.0001720800000000, -0.0030306300000000, 0.0000653800000000 ] - [ 0.0001900800000000, 0.0024566200000000, 0.0000620100000000 ] - [ 0.0028449000000000, -0.0000085500000000, -0.0008770200000000 ] - [ -0.0024332100000000, -0.0000214700000000, -0.0009448200000000 ] - [ 0.0035340200000000, -0.0000208600000000, -0.0001763700000000 ] - [ -0.0031660800000000, -0.0000334700000000, -0.0013963000000000 ] - [ 0.0004963000000000, -0.0022470800000000, 0.0001817000000000 ] - [ 0.0005086500000000, 0.0025093200000000, 0.0001867200000000 ] - [ -0.0106026100000000, 0.0061671300000000, -0.0084301800000000 ] - [ 0.0096687100000000, 0.0061578500000000, 0.0081034000000000 ] - [ -0.0001898000000000, -0.0001202600000000, 0.0007829200000000 ] - [ -0.0001893400000000, 0.0001208200000000, 0.0007845800000000 ] - [ -0.0004535600000000, -0.0000013600000000, 0.0007409200000000 ] - [ 0.0008199600000000, -0.0000078900000000, 0.0008248200000000 ] - [ -0.0001726200000000, -0.0071782100000000, -0.0008391300000000 ] - [ -0.0001794300000000, 0.0068203900000000, -0.0007786300000000 ] - [ -0.0002341800000000, 0.0000002700000000, 0.0002115800000000 ] - [ -0.0007880300000000, 0.0000012300000000, 0.0001595900000000 ] - [ 0.0005124600000000, -0.0007344300000000, -0.0001838200000000 ] - [ 0.0005012100000000, 0.0007544000000000, -0.0001838600000000 ] - [ 0.0004215700000000, 0.0023496900000000, 0.0003368900000000 ] - [ 0.0004366200000000, -0.0035788000000000, 0.0003382100000000 ] - [ 0.0004337500000000, 0.0001246500000000, -0.0003367100000000 ] - [ 0.0004317300000000, -0.0001181800000000, -0.0003356400000000 ] - [ -0.0022260800000000, -0.0014105700000000, 0.0025378600000000 ] - [ 0.0013735800000000, -0.0013557200000000, -0.0018519200000000 ] - [ -0.0004196600000000, -0.0000021000000000, -0.0003464300000000 ] - [ -0.0004442900000000, -0.0000003300000000, -0.0003262800000000 ] - [ -0.0003167400000000, 0.0004829100000000, -0.0000569200000000 ] - [ 0.0015401600000000, -0.0017595600000000, -0.0005977200000000 ] - [ -0.0008709900000000, -0.0047871900000000, -0.0007865000000000 ] - [ -0.0001436900000000, 0.0035868300000000, 0.0014081300000000 ] - [ 0.0004646400000000, -0.0000140200000000, -0.0000601000000000 ] - [ -0.0003040300000000, -0.0000119000000000, 0.0000367600000000 ] - [ 0.0012426600000000, -0.0129743000000000, 0.0043633700000000 ] - [ 0.0490197100000000, 0.0426418000000000, -0.0283649500000000 ] - [ 0.0000861300000000, 0.0005980400000000, -0.0009190500000000 ] - [ 0.0000918300000000, -0.0006546800000000, -0.0009150500000000 ] - [ -0.0000973200000000, -0.0000009100000000, 0.0009392600000000 ] - [ -0.0000747300000000, -0.0000009500000000, 0.0008995200000000 ] - [ 0.0060515100000000, -0.0040462600000000, -0.0102721900000000 ] - [ -0.0062704200000000, -0.0040172600000000, 0.0084033600000000 ] - [ -0.0006617400000000, -0.0007517500000000, 0.0003353000000000 ] - [ -0.0005862700000000, -0.0005348500000000, 0.0003329800000000 ] - [ -0.0000703100000000, -0.0000941100000000, 0.0009374000000000 ] - [ -0.0006182100000000, -0.0009019300000000, 0.0007921000000000 ] - [ -0.0009849900000000, -0.0000164900000000, -0.0000849100000000 ] - [ 0.0011491700000000, -0.0000112400000000, 0.0001073800000000 ] - [ -0.0005035800000000, 0.0026055000000000, 0.0012499500000000 ] - [ 0.0020810200000000, -0.0013928800000000, -0.0007886700000000 ] - [ 0.0000904100000000, 0.0002723100000000, 0.0009216300000000 ] - [ 0.0000872000000000, -0.0003658100000000, 0.0009173700000000 ] - [ -0.0010869100000000, 0.0048464000000000, -0.0020719500000000 ] - [ -0.0003789400000000, -0.0034881000000000, 0.0000979400000000 ] - [ -0.0006292300000000, 0.0009082300000000, 0.0007806200000000 ] - [ -0.0000785400000000, 0.0000896400000000, 0.0009308500000000 ] - [ 0.0003406300000000, 0.0005727600000000, 0.0008368400000000 ] - [ 0.0003576200000000, 0.0004223700000000, 0.0008821800000000 ] - [ -0.0000792300000000, 0.0000968500000000, -0.0000122600000000 ] - [ -0.0000803900000000, -0.0000969800000000, -0.0000116500000000 ] - [ -0.0002473300000000, 0.0020221700000000, -0.0003207300000000 ] - [ -0.0003922600000000, -0.0011102100000000, -0.0013550700000000 ] - [ 0.0015616100000000, 0.0017780700000000, -0.0006210400000000 ] - [ -0.0002981400000000, -0.0004725700000000, -0.0000778400000000 ] - [ -0.0006572600000000, 0.0007507900000000, 0.0003420500000000 ] - [ -0.0005784000000000, 0.0005403700000000, 0.0003433600000000 ] - [ 0.0017526500000000, 0.0013011800000000, -0.0005697100000000 ] - [ -0.0008442200000000, -0.0026867600000000, 0.0014697200000000 ] - [ 0.0003403900000000, -0.0005762300000000, 0.0008366200000000 ] - [ 0.0003578900000000, -0.0004215900000000, 0.0008859900000000 ] - [ -0.0466151500000000, 0.0413404600000000, 0.0246991400000000 ] - [ -0.0005620100000000, -0.0119447900000000, -0.0060699700000000 ] - [ -0.0003502600000000, 0.0233912800000000, -0.0002546700000000 ] - [ -0.0000837700000000, -0.0032224500000000, 0.0000131500000000 ] - [ -0.0004496500000000, 0.0010192300000000, -0.0013987300000000 ] - [ -0.0003030200000000, -0.0021019500000000, -0.0003682600000000 ]- atom: 5 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0002555300000000, 0.0000000000000000, 0.0001911900000000 ] - [ 0.0001707400000000, 0.0000000000000000, 0.0000737200000000 ] - [ 0.0000004000000000, 0.0001148800000000, 0.0003553700000000 ] - [ 0.0000004000000000, -0.0001148800000000, 0.0003553700000000 ] - [ -0.0351528600000000, 0.0000000000000000, -0.1958321500000000 ] - [ 0.0021155300000000, 0.0000000000000000, -0.0088717900000000 ] - [ 0.0003688100000000, -0.0000350700000000, 0.0003705000000000 ] - [ 0.0003688100000000, 0.0000350700000000, 0.0003705000000000 ] - [ 0.0003833200000000, -0.0000926800000000, 0.0011454300000000 ] - [ 0.0003833200000000, 0.0000926800000000, 0.0011454300000000 ] - [ -0.0035706600000000, -0.0011144100000000, 0.0040162900000000 ] - [ -0.0035706600000000, 0.0011144100000000, 0.0040162900000000 ] - [ -0.0039520500000000, 0.0000000000000000, 0.0008931100000000 ] - [ -0.0019206600000000, 0.0000000000000000, 0.0000996400000000 ] - [ -0.0003210000000000, 0.0000000000000000, -0.0006653000000000 ] - [ 0.0000484400000000, 0.0000000000000000, -0.0003602400000000 ] - [ 0.0000590000000000, 0.0000000000000000, 0.0007885000000000 ] - [ 0.0000317400000000, 0.0000000000000000, 0.0008178100000000 ] - [ 0.0059557900000000, 0.0219551500000000, 0.0133679800000000 ] - [ 0.0059557900000000, -0.0219551500000000, 0.0133679800000000 ] - [ 0.0012957000000000, 0.0000000000000000, -0.0038709100000000 ] - [ -0.0005643000000000, 0.0000000000000000, -0.0014813900000000 ] - [ 0.0007524800000000, -0.0000364400000000, 0.0011144100000000 ] - [ 0.0007524800000000, 0.0000364400000000, 0.0011144100000000 ] - [ 0.0014254800000000, 0.0000565600000000, -0.0018911100000000 ] - [ 0.0014254800000000, -0.0000565600000000, -0.0018911100000000 ] - [ 0.0029480600000000, 0.0000000000000000, 0.0016305000000000 ] - [ 0.0000079200000000, 0.0000000000000000, 0.0008824000000000 ] - [ 0.0029768100000000, -0.0107666900000000, -0.0053953800000000 ] - [ 0.0029768100000000, 0.0107666900000000, -0.0053953800000000 ] - [ 0.0003322300000000, 0.0000000000000000, 0.0008063900000000 ] - [ 0.0002395900000000, 0.0000000000000000, 0.0008072900000000 ] - [ 0.0010138400000000, -0.0001638000000000, 0.0009061300000000 ] - [ 0.0010138400000000, 0.0001638000000000, 0.0009061300000000 ] - [ -0.0002952100000000, 0.0000000000000000, 0.0296942600000000 ] - [ 0.0002630500000000, 0.0000000000000000, 0.0008859900000000 ] - [ 0.0000026600000000, 0.0000031300000000, 0.0001127700000000 ] - [ 0.0000026600000000, -0.0000031300000000, 0.0001127700000000 ] - [ 0.0022272000000000, 0.0000000000000000, 0.0002565700000000 ] - [ 0.0013639800000000, 0.0000000000000000, 0.0000990000000000 ] - [ 0.0001701200000000, 0.0000000000000000, 0.0025276100000000 ] - [ -0.0009546600000000, 0.0000000000000000, -0.0003308400000000 ] - [ 0.0000388900000000, 0.0000000000000000, -0.0003506800000000 ] - [ 0.0002986400000000, 0.0000000000000000, -0.0004178000000000 ] - [ 0.0009258700000000, 0.0031615200000000, 0.0011881200000000 ] - [ 0.0009258700000000, -0.0031615200000000, 0.0011881200000000 ] - [ -0.0007026400000000, 0.0000021000000000, -0.0003266400000000 ] - [ -0.0007026400000000, -0.0000021000000000, -0.0003266400000000 ] - [ 0.0001853500000000, -0.0002772500000000, -0.0000317500000000 ] - [ 0.0001661000000000, -0.0004189900000000, -0.0002973300000000 ] - [ -0.0004573600000000, -0.0011680300000000, -0.0014369000000000 ] - [ -0.0031200700000000, -0.0047990300000000, -0.0034540400000000 ] - [ -0.0000991300000000, 0.0002069600000000, -0.0003024600000000 ] - [ -0.0000991300000000, -0.0002069600000000, -0.0003024600000000 ] - [ 0.0012806900000000, -0.0082439400000000, 0.0030937500000000 ] - [ -0.0351065000000000, -0.0210783400000000, 0.0334764900000000 ] - [ 0.0014673900000000, 0.0000000000000000, -0.0002850300000000 ] - [ 0.0005328500000000, 0.0000000000000000, -0.0005719100000000 ] - [ -0.0005016000000000, -0.0000139900000000, 0.0007004400000000 ] - [ -0.0005016000000000, 0.0000139900000000, 0.0007004400000000 ] - [ 0.0046108700000000, 0.0000731100000000, -0.0067305500000000 ] - [ 0.0046108700000000, -0.0000731100000000, -0.0067305500000000 ] - [ -0.0009459500000000, -0.0005885300000000, 0.0002633000000000 ] - [ -0.0011824600000000, -0.0002901300000000, 0.0001397800000000 ] - [ -0.0004513300000000, -0.0003885500000000, 0.0007343000000000 ] - [ -0.0003312700000000, -0.0004805800000000, 0.0008461700000000 ] - [ 0.0001203200000000, -0.0001613600000000, -0.0002740100000000 ] - [ 0.0001203200000000, 0.0001613600000000, -0.0002740100000000 ] - [ -0.0010868900000000, 0.0000703000000000, 0.0013349200000000 ] - [ -0.0009910500000000, 0.0017248600000000, 0.0009131000000000 ] - [ -0.0000472800000000, 0.0000000000000000, 0.0013880800000000 ] - [ -0.0002102000000000, 0.0000000000000000, 0.0015104500000000 ] - [ -0.0031200700000000, 0.0047990300000000, -0.0034540400000000 ] - [ -0.0004573600000000, 0.0011680300000000, -0.0014369000000000 ] - [ -0.0004513300000000, 0.0003885500000000, 0.0007343000000000 ] - [ -0.0003312700000000, 0.0004805800000000, 0.0008461700000000 ] - [ 0.0001770000000000, 0.0004988700000000, 0.0009038400000000 ] - [ 0.0001651000000000, 0.0004713100000000, 0.0009048000000000 ] - [ -0.0003479500000000, 0.0000000000000000, 0.0000864000000000 ] - [ -0.0003294700000000, 0.0000000000000000, 0.0000468600000000 ] - [ 0.0002413900000000, -0.0004569300000000, -0.0018934000000000 ] - [ -0.0001662700000000, -0.0000787400000000, -0.0016010600000000 ] - [ 0.0001853500000000, 0.0002772500000000, -0.0000317500000000 ] - [ 0.0001661000000000, 0.0004189900000000, -0.0002973300000000 ] - [ -0.0011824600000000, 0.0002901300000000, 0.0001397800000000 ] - [ -0.0009459500000000, 0.0005885300000000, 0.0002633000000000 ] - [ -0.0010868900000000, -0.0000703000000000, 0.0013349200000000 ] - [ -0.0009910500000000, -0.0017248600000000, 0.0009131000000000 ] - [ 0.0001651000000000, -0.0004713100000000, 0.0009048000000000 ] - [ 0.0001770000000000, -0.0004988700000000, 0.0009038400000000 ] - [ -0.0351065000000000, 0.0210783400000000, 0.0334764900000000 ] - [ 0.0012806900000000, 0.0082439400000000, 0.0030937500000000 ] - [ 0.0838608800000000, 0.0000000000000000, 0.0827552600000000 ] - [ 0.0022899800000000, 0.0000000000000000, 0.0022905200000000 ] - [ 0.0002413900000000, 0.0004569300000000, -0.0018934000000000 ] - [ -0.0001662700000000, 0.0000787400000000, -0.0016010600000000 ]- atom: 5 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ -0.0003264900000000, 0.0000000000000000, 0.0004027800000000 ] - [ -0.0002476800000000, 0.0000000000000000, 0.0005204100000000 ] - [ -0.0003827200000000, -0.0001169300000000, -0.0002284800000000 ] - [ -0.0003827200000000, 0.0001169300000000, -0.0002284800000000 ] - [ 0.0288756600000000, 0.0000000000000000, 0.1920063100000000 ] - [ -0.0025237600000000, 0.0000000000000000, 0.0070099600000000 ] - [ -0.0003071500000000, 0.0000349700000000, 0.0002206900000000 ] - [ -0.0003071500000000, -0.0000349700000000, 0.0002206900000000 ] - [ 0.0000338900000000, 0.0000932900000000, 0.0006857200000000 ] - [ 0.0000338900000000, -0.0000932900000000, 0.0006857200000000 ] - [ 0.0031830000000000, 0.0011027200000000, -0.0041154900000000 ] - [ 0.0031830000000000, -0.0011027200000000, -0.0041154900000000 ] - [ 0.0038648800000000, 0.0000000000000000, -0.0014572500000000 ] - [ 0.0018534200000000, 0.0000000000000000, -0.0006928300000000 ] - [ 0.0006910000000000, 0.0000000000000000, 0.0005287800000000 ] - [ 0.0003280400000000, 0.0000000000000000, 0.0002312600000000 ] - [ -0.0004758400000000, 0.0000000000000000, 0.0010499700000000 ] - [ -0.0004510000000000, 0.0000000000000000, 0.0010197800000000 ] - [ -0.0057784700000000, -0.0219852500000000, -0.0139218400000000 ] - [ -0.0057784700000000, 0.0219852500000000, -0.0139218400000000 ] - [ -0.0009377200000000, 0.0000000000000000, 0.0039906200000000 ] - [ 0.0009375600000000, 0.0000000000000000, 0.0016054100000000 ] - [ -0.0003298800000000, 0.0000319200000000, -0.0029436500000000 ] - [ -0.0003298800000000, -0.0000319200000000, -0.0029436500000000 ] - [ -0.0010552200000000, -0.0000674900000000, 0.0003204100000000 ] - [ -0.0010552200000000, 0.0000674900000000, 0.0003204100000000 ] - [ -0.0019365900000000, 0.0000000000000000, -0.0012658200000000 ] - [ 0.0010041900000000, 0.0000000000000000, -0.0005115100000000 ] - [ -0.0039902100000000, 0.0107714500000000, 0.0049732500000000 ] - [ -0.0039902100000000, -0.0107714500000000, 0.0049732500000000 ] - [ -0.0007086800000000, 0.0000000000000000, 0.0007595500000000 ] - [ -0.0006174400000000, 0.0000000000000000, 0.0007589800000000 ] - [ -0.0006460700000000, 0.0001649600000000, 0.0006607100000000 ] - [ -0.0006460700000000, -0.0001649600000000, 0.0006607100000000 ] - [ 0.0000189300000000, 0.0000000000000000, -0.0310014300000000 ] - [ -0.0006277500000000, 0.0000000000000000, -0.0024491900000000 ] - [ -0.0010262300000000, -0.0000039600000000, 0.0002586400000000 ] - [ -0.0010262300000000, 0.0000039600000000, 0.0002586400000000 ] - [ -0.0012204400000000, 0.0000000000000000, -0.0006317700000000 ] - [ -0.0003467200000000, 0.0000000000000000, -0.0004706100000000 ] - [ 0.0006265300000000, 0.0000000000000000, -0.0019762200000000 ] - [ 0.0018127700000000, 0.0000000000000000, 0.0010010500000000 ] - [ 0.0008288200000000, 0.0000000000000000, -0.0003239100000000 ] - [ 0.0005693600000000, 0.0000000000000000, -0.0002564700000000 ] - [ -0.0017898500000000, -0.0031446100000000, -0.0005050800000000 ] - [ -0.0017898500000000, 0.0031446100000000, -0.0005050800000000 ] - [ -0.0001603100000000, -0.0000020900000000, -0.0003474800000000 ] - [ -0.0001603100000000, 0.0000020900000000, -0.0003474800000000 ] - [ 0.0010578800000000, -0.0010097700000000, -0.0006463900000000 ] - [ 0.0010785400000000, -0.0008740000000000, -0.0003824800000000 ] - [ -0.0007871000000000, -0.0001293500000000, 0.0007553600000000 ] - [ 0.0018605300000000, 0.0034885700000000, 0.0027790400000000 ] - [ 0.0002592200000000, -0.0002061000000000, 0.0002740900000000 ] - [ 0.0002592200000000, 0.0002061000000000, 0.0002740900000000 ] - [ -0.0006007100000000, 0.0072050000000000, -0.0047934500000000 ] - [ 0.0365891500000000, 0.0214418900000000, -0.0358316800000000 ] - [ -0.0012676000000000, 0.0000000000000000, -0.0015535300000000 ] - [ -0.0003558100000000, 0.0000000000000000, -0.0012641600000000 ] - [ 0.0003290000000000, 0.0000143200000000, 0.0011359900000000 ] - [ 0.0003290000000000, -0.0000143200000000, 0.0011359900000000 ] - [ -0.0047892800000000, -0.0000848500000000, 0.0048234300000000 ] - [ -0.0047892800000000, 0.0000848500000000, 0.0048234300000000 ] - [ -0.0002948500000000, -0.0007021300000000, 0.0004144900000000 ] - [ -0.0000548800000000, -0.0010050400000000, 0.0005398800000000 ] - [ -0.0002450800000000, -0.0006082500000000, 0.0009844400000000 ] - [ -0.0003644700000000, -0.0005146600000000, 0.0008735500000000 ] - [ 0.0000388300000000, 0.0001639000000000, 0.0003013400000000 ] - [ 0.0000388300000000, -0.0001639000000000, 0.0003013400000000 ] - [ 0.0023349000000000, 0.0012264500000000, -0.0006526200000000 ] - [ 0.0022333800000000, -0.0004296700000000, -0.0002341200000000 ] - [ 0.0002330200000000, 0.0000000000000000, 0.0004472500000000 ] - [ 0.0003896300000000, 0.0000000000000000, 0.0003243400000000 ] - [ 0.0018605300000000, -0.0034885700000000, 0.0027790400000000 ] - [ -0.0007871000000000, 0.0001293500000000, 0.0007553600000000 ] - [ -0.0002450800000000, 0.0006082500000000, 0.0009844400000000 ] - [ -0.0003644700000000, 0.0005146600000000, 0.0008735500000000 ] - [ 0.0005223800000000, 0.0004974400000000, 0.0008151100000000 ] - [ 0.0005339800000000, 0.0005243000000000, 0.0008143800000000 ] - [ 0.0001910100000000, 0.0000000000000000, -0.0001140400000000 ] - [ 0.0001726400000000, 0.0000000000000000, -0.0000750000000000 ] - [ -0.0009427400000000, 0.0014525000000000, 0.0001660500000000 ] - [ -0.0005310500000000, 0.0010767000000000, -0.0001203200000000 ] - [ 0.0010578800000000, 0.0010097700000000, -0.0006463900000000 ] - [ 0.0010785400000000, 0.0008740000000000, -0.0003824800000000 ] - [ -0.0000548800000000, 0.0010050400000000, 0.0005398800000000 ] - [ -0.0002948500000000, 0.0007021300000000, 0.0004144900000000 ] - [ 0.0023349000000000, -0.0012264500000000, -0.0006526200000000 ] - [ 0.0022333800000000, 0.0004296700000000, -0.0002341200000000 ] - [ 0.0005339800000000, -0.0005243000000000, 0.0008143800000000 ] - [ 0.0005223800000000, -0.0004974400000000, 0.0008151100000000 ] - [ 0.0365891500000000, -0.0214418900000000, -0.0358316800000000 ] - [ -0.0006007100000000, -0.0072050000000000, -0.0047934500000000 ] - [ -0.0798611200000000, 0.0000000000000000, -0.0795032300000000 ] - [ -0.0024496800000000, 0.0000000000000000, -0.0022564400000000 ] - [ -0.0009427400000000, -0.0014525000000000, 0.0001660500000000 ] - [ -0.0005310500000000, -0.0010767000000000, -0.0001203200000000 ]- atom: 25 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0016321600000000, -0.0000922600000000, -0.0000045500000000 ] - [ 0.0016321600000000, 0.0000922600000000, -0.0000045500000000 ] - [ 0.0006468500000000, 0.0000000000000000, 0.0003051200000000 ] - [ 0.0000727400000000, 0.0000000000000000, 0.0000970400000000 ] - [ 0.0008456900000000, 0.0033703400000000, 0.0003314900000000 ] - [ 0.0008456900000000, -0.0033703400000000, 0.0003314900000000 ] - [ 0.0018700100000000, 0.0000000000000000, -0.0001187700000000 ] - [ 0.0015396100000000, 0.0000000000000000, -0.0000098200000000 ] - [ 0.0018153400000000, 0.0000000000000000, 0.0014396200000000 ] - [ 0.0015252000000000, 0.0000000000000000, 0.0013473600000000 ] - [ 0.0033920800000000, 0.0000000000000000, -0.0011592700000000 ] - [ 0.0007730000000000, 0.0000000000000000, -0.0003625700000000 ] - [ -0.0034800200000000, 0.0011119900000000, -0.0000690200000000 ] - [ -0.0034800200000000, -0.0011119900000000, -0.0000690200000000 ] - [ -0.0048856400000000, -0.0153527500000000, -0.0095071500000000 ] - [ -0.0048856400000000, 0.0153527500000000, -0.0095071500000000 ] - [ 0.0013351500000000, -0.0006346900000000, 0.0000852000000000 ] - [ 0.0013351500000000, 0.0006346900000000, 0.0000852000000000 ] - [ 0.0137565600000000, 0.0000000000000000, -0.0031273600000000 ] - [ -0.0007228200000000, 0.0000000000000000, -0.0010822200000000 ] - [ 0.0018977100000000, 0.0003675800000000, -0.0002365900000000 ] - [ 0.0018977100000000, -0.0003675800000000, -0.0002365900000000 ] - [ -0.0075578300000000, 0.0000000000000000, -0.0006981000000000 ] - [ -0.0035653800000000, 0.0000000000000000, -0.0013651200000000 ] - [ -0.0886525000000000, 0.0000000000000000, -0.0168065200000000 ] - [ -0.0065541500000000, 0.0000000000000000, -0.0000358100000000 ] - [ 0.0033617100000000, 0.0003739200000000, 0.0002181600000000 ] - [ 0.0033617100000000, -0.0003739200000000, 0.0002181600000000 ] - [ 0.0036356900000000, 0.0000000000000000, 0.0000377200000000 ] - [ 0.0011550400000000, 0.0000000000000000, 0.0000519100000000 ] - [ 0.0016338700000000, -0.0006013600000000, 0.0014182800000000 ] - [ 0.0016338700000000, 0.0006013600000000, 0.0014182800000000 ] - [ 0.0027222900000000, 0.0000000000000000, 0.0005733300000000 ] - [ 0.0023085400000000, 0.0000000000000000, 0.0006439700000000 ] - [ 0.0004005800000000, 0.0016944900000000, -0.0006096400000000 ] - [ 0.0004005800000000, -0.0016944900000000, -0.0006096400000000 ] - [ 0.0153385200000000, 0.0000000000000000, 0.0038428000000000 ] - [ 0.0010440800000000, 0.0000000000000000, 0.0006951900000000 ] - [ -0.0035555200000000, -0.0060482000000000, 0.0066251900000000 ] - [ -0.0035555200000000, 0.0060482000000000, 0.0066251900000000 ] - [ 0.0026544800000000, -0.0036726300000000, 0.0031815800000000 ] - [ 0.0026544800000000, 0.0036726300000000, 0.0031815800000000 ] - [ -0.0010235300000000, 0.0000450600000000, -0.0001841700000000 ] - [ -0.0010235300000000, -0.0000450600000000, -0.0001841700000000 ] - [ -0.0022109800000000, 0.0000000000000000, -0.0021307700000000 ] - [ 0.0004625600000000, 0.0000000000000000, 0.0000713900000000 ] - [ -0.0029613800000000, 0.0000000000000000, -0.0006477000000000 ] - [ -0.0017084700000000, 0.0000000000000000, -0.0004867000000000 ] - [ 0.0275628700000000, -0.0100769400000000, 0.0047548400000000 ] - [ 0.0032390200000000, -0.0065535200000000, -0.0025065000000000 ] - [ -0.0019344700000000, 0.0007265800000000, 0.0003169900000000 ] - [ -0.0017886600000000, -0.0006928400000000, -0.0002509700000000 ] - [ -0.0013701700000000, 0.0000000000000000, -0.0002079300000000 ] - [ -0.0011567500000000, 0.0000000000000000, -0.0002514600000000 ] - [ -0.0022315700000000, 0.0026118400000000, -0.0027599500000000 ] - [ -0.0001927500000000, -0.0019172200000000, -0.0002619700000000 ] - [ 0.0091172800000000, -0.0025174500000000, -0.0004273300000000 ] - [ 0.0091172800000000, 0.0025174500000000, -0.0004273300000000 ] - [ -0.0013071900000000, 0.0000000000000000, 0.0006142900000000 ] - [ -0.0008068900000000, 0.0000000000000000, 0.0006880900000000 ] - [ -0.0065582500000000, 0.0000000000000000, 0.0017278500000000 ] - [ -0.0006075100000000, 0.0000000000000000, -0.0005685700000000 ] - [ -0.0008948700000000, -0.0016414400000000, -0.0006333400000000 ] - [ -0.0009707900000000, -0.0006317300000000, 0.0003804200000000 ] - [ -0.0013963700000000, -0.0005149600000000, 0.0006824100000000 ] - [ -0.0013031400000000, -0.0005281700000000, 0.0006831500000000 ] - [ 0.0172018100000000, 0.0000000000000000, 0.0127034200000000 ] - [ 0.0030604400000000, 0.0000000000000000, -0.0010638100000000 ] - [ -0.0006517500000000, 0.0004420300000000, 0.0003642600000000 ] - [ -0.0012452100000000, 0.0010981500000000, 0.0006729500000000 ] - [ -0.0019306500000000, -0.0000296700000000, 0.0016130800000000 ] - [ -0.0019306500000000, 0.0000296700000000, 0.0016130800000000 ] - [ -0.0019344700000000, -0.0007265800000000, 0.0003169900000000 ] - [ -0.0017886600000000, 0.0006928400000000, -0.0002509700000000 ] - [ -0.0013031400000000, 0.0005281700000000, 0.0006831500000000 ] - [ -0.0013963700000000, 0.0005149600000000, 0.0006824100000000 ] - [ -0.0010646300000000, 0.0006649200000000, 0.0014375800000000 ] - [ -0.0004251900000000, -0.0000031400000000, 0.0012617500000000 ] - [ -0.0020589900000000, 0.0011581600000000, 0.0000745900000000 ] - [ -0.0020589900000000, -0.0011581600000000, 0.0000745900000000 ] - [ 0.0026354900000000, 0.0010446600000000, -0.0011420100000000 ] - [ 0.0028639400000000, 0.0003688100000000, -0.0020757500000000 ] - [ 0.0032390200000000, 0.0065535200000000, -0.0025065000000000 ] - [ 0.0275628700000000, 0.0100769400000000, 0.0047548400000000 ] - [ -0.0008948700000000, 0.0016414400000000, -0.0006333400000000 ] - [ -0.0009707900000000, 0.0006317300000000, 0.0003804200000000 ] - [ -0.0012452100000000, -0.0010981500000000, 0.0006729500000000 ] - [ -0.0006517500000000, -0.0004420300000000, 0.0003642600000000 ] - [ -0.0010646300000000, -0.0006649200000000, 0.0014375800000000 ] - [ -0.0004251900000000, 0.0000031400000000, 0.0012617500000000 ] - [ -0.0022315700000000, -0.0026118400000000, -0.0027599500000000 ] - [ -0.0001927500000000, 0.0019172200000000, -0.0002619700000000 ] - [ -0.0014362500000000, -0.0007122600000000, -0.0007912700000000 ] - [ -0.0014362500000000, 0.0007122600000000, -0.0007912700000000 ] - [ 0.0028639400000000, -0.0003688100000000, -0.0020757500000000 ] - [ 0.0026354900000000, -0.0010446600000000, -0.0011420100000000 ]- atom: 25 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0016904800000000, 0.0000935200000000, 0.0005968200000000 ] - [ -0.0016904800000000, -0.0000935200000000, 0.0005968200000000 ] - [ -0.0010063500000000, 0.0000000000000000, -0.0001778000000000 ] - [ -0.0004461300000000, 0.0000000000000000, 0.0000359400000000 ] - [ -0.0012771200000000, -0.0033297200000000, -0.0021506700000000 ] - [ -0.0012771200000000, 0.0033297200000000, -0.0021506700000000 ] - [ -0.0018024900000000, 0.0000000000000000, 0.0007179000000000 ] - [ -0.0014692700000000, 0.0000000000000000, 0.0006062500000000 ] - [ -0.0013876200000000, 0.0000000000000000, 0.0003983800000000 ] - [ -0.0010976800000000, 0.0000000000000000, 0.0004884100000000 ] - [ -0.0037382600000000, 0.0000000000000000, 0.0010161600000000 ] - [ -0.0011547300000000, 0.0000000000000000, 0.0002307900000000 ] - [ 0.0033619000000000, -0.0011417600000000, -0.0005613900000000 ] - [ 0.0033619000000000, 0.0011417600000000, -0.0005613900000000 ] - [ 0.0052744500000000, 0.0153917200000000, 0.0094054300000000 ] - [ 0.0052744500000000, -0.0153917200000000, 0.0094054300000000 ] - [ -0.0017558700000000, 0.0006378700000000, 0.0017436900000000 ] - [ -0.0017558700000000, -0.0006378700000000, 0.0017436900000000 ] - [ -0.0134836200000000, 0.0000000000000000, 0.0024785000000000 ] - [ 0.0007647900000000, 0.0000000000000000, 0.0004799400000000 ] - [ -0.0015098300000000, -0.0003635100000000, 0.0003675500000000 ] - [ -0.0015098300000000, 0.0003635100000000, 0.0003675500000000 ] - [ 0.0078479800000000, 0.0000000000000000, -0.0010110900000000 ] - [ 0.0039738200000000, 0.0000000000000000, -0.0004742700000000 ] - [ 0.0915924200000000, 0.0000000000000000, 0.0154404600000000 ] - [ 0.0069240600000000, 0.0000000000000000, -0.0015198000000000 ] - [ -0.0023355100000000, -0.0003695200000000, 0.0001506600000000 ] - [ -0.0023355100000000, 0.0003695200000000, 0.0001506600000000 ] - [ -0.0046294700000000, 0.0000000000000000, -0.0004016100000000 ] - [ -0.0021712100000000, 0.0000000000000000, -0.0004193800000000 ] - [ -0.0020001400000000, 0.0006035600000000, 0.0001483100000000 ] - [ -0.0020001400000000, -0.0006035600000000, 0.0001483100000000 ] - [ -0.0023391200000000, 0.0000000000000000, 0.0009923900000000 ] - [ -0.0019242400000000, 0.0000000000000000, 0.0009215900000000 ] - [ -0.0007874600000000, -0.0016778100000000, -0.0009522000000000 ] - [ -0.0007874600000000, 0.0016778100000000, -0.0009522000000000 ] - [ -0.0165018500000000, 0.0000000000000000, -0.0034988100000000 ] - [ -0.0020476600000000, 0.0000000000000000, -0.0003264800000000 ] - [ 0.0046082700000000, 0.0060297400000000, -0.0070072600000000 ] - [ 0.0046082700000000, -0.0060297400000000, -0.0070072600000000 ] - [ -0.0017501700000000, 0.0036664400000000, -0.0024987700000000 ] - [ -0.0017501700000000, -0.0036664400000000, -0.0024987700000000 ] - [ 0.0018851700000000, -0.0000453900000000, -0.0004900400000000 ] - [ 0.0018851700000000, 0.0000453900000000, -0.0004900400000000 ] - [ 0.0013525100000000, 0.0000000000000000, 0.0027855600000000 ] - [ -0.0013172600000000, 0.0000000000000000, 0.0005991300000000 ] - [ 0.0020953100000000, 0.0000000000000000, -0.0000265100000000 ] - [ 0.0008351100000000, 0.0000000000000000, -0.0001887800000000 ] - [ -0.0276020200000000, 0.0097809100000000, -0.0054257300000000 ] - [ -0.0019908500000000, 0.0052609300000000, 0.0018271800000000 ] - [ 0.0006892200000000, -0.0020035000000000, -0.0009897300000000 ] - [ 0.0005441400000000, -0.0006002000000000, -0.0004293600000000 ] - [ 0.0015240500000000, 0.0000000000000000, 0.0001764000000000 ] - [ 0.0013109800000000, 0.0000000000000000, 0.0002205400000000 ] - [ 0.0029051900000000, -0.0035682400000000, 0.0010176900000000 ] - [ 0.0008929400000000, 0.0009073800000000, -0.0014506100000000 ] - [ -0.0089211900000000, 0.0025647200000000, -0.0013932300000000 ] - [ -0.0089211900000000, -0.0025647200000000, -0.0013932300000000 ] - [ 0.0011144600000000, 0.0000000000000000, 0.0012246700000000 ] - [ 0.0006170700000000, 0.0000000000000000, 0.0011479700000000 ] - [ 0.0063126500000000, 0.0000000000000000, -0.0035491600000000 ] - [ 0.0004338800000000, 0.0000000000000000, -0.0012752000000000 ] - [ -0.0003583100000000, 0.0003504600000000, 0.0013191800000000 ] - [ -0.0002830900000000, -0.0006591600000000, 0.0002967800000000 ] - [ 0.0006937000000000, -0.0004801200000000, 0.0010375600000000 ] - [ 0.0006026300000000, -0.0004649800000000, 0.0010365200000000 ] - [ -0.0169950600000000, 0.0000000000000000, -0.0129479100000000 ] - [ -0.0028975800000000, 0.0000000000000000, 0.0010925400000000 ] - [ 0.0018915900000000, 0.0008466200000000, 0.0003144900000000 ] - [ 0.0024809300000000, 0.0001978500000000, 0.0000084200000000 ] - [ 0.0021028300000000, 0.0000285600000000, 0.0002317100000000 ] - [ 0.0021028300000000, -0.0000285600000000, 0.0002317100000000 ] - [ 0.0006892200000000, 0.0020035000000000, -0.0009897300000000 ] - [ 0.0005441400000000, 0.0006002000000000, -0.0004293600000000 ] - [ 0.0006026300000000, 0.0004649800000000, 0.0010365200000000 ] - [ 0.0006937000000000, 0.0004801200000000, 0.0010375600000000 ] - [ 0.0017622600000000, 0.0003271000000000, 0.0002810100000000 ] - [ 0.0011184800000000, 0.0009977100000000, 0.0004592800000000 ] - [ 0.0018915300000000, -0.0011612600000000, -0.0001049100000000 ] - [ 0.0018915300000000, 0.0011612600000000, -0.0001049100000000 ] - [ -0.0033259700000000, -0.0000346900000000, -0.0005624900000000 ] - [ -0.0035362900000000, 0.0005806600000000, 0.0003440200000000 ] - [ -0.0019908500000000, -0.0052609300000000, 0.0018271800000000 ] - [ -0.0276020200000000, -0.0097809100000000, -0.0054257300000000 ] - [ -0.0003583100000000, -0.0003504600000000, 0.0013191800000000 ] - [ -0.0002830900000000, 0.0006591600000000, 0.0002967800000000 ] - [ 0.0024809300000000, -0.0001978500000000, 0.0000084200000000 ] - [ 0.0018915900000000, -0.0008466200000000, 0.0003144900000000 ] - [ 0.0017622600000000, -0.0003271000000000, 0.0002810100000000 ] - [ 0.0011184800000000, -0.0009977100000000, 0.0004592800000000 ] - [ 0.0029051900000000, 0.0035682400000000, 0.0010176900000000 ] - [ 0.0008929400000000, -0.0009073800000000, -0.0014506100000000 ] - [ 0.0012743100000000, 0.0007050800000000, 0.0008117200000000 ] - [ 0.0012743100000000, -0.0007050800000000, 0.0008117200000000 ] - [ -0.0035362900000000, -0.0005806600000000, 0.0003440200000000 ] - [ -0.0033259700000000, 0.0000346900000000, -0.0005624900000000 ]- atom: 25 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0001153500000000, -0.0000008700000000, 0.0002622500000000 ] - [ 0.0000529200000000, -0.0000002200000000, 0.0003294200000000 ] - [ -0.0001793600000000, -0.0021741500000000, 0.0000637400000000 ] - [ -0.0001908800000000, 0.0022949200000000, 0.0000620500000000 ] - [ 0.0023347500000000, -0.0000407000000000, -0.0008564400000000 ] - [ -0.0027425800000000, -0.0000134700000000, -0.0009791500000000 ] - [ 0.0000239200000000, -0.0006579700000000, 0.0002973300000000 ] - [ 0.0000205900000000, 0.0006627700000000, 0.0002949900000000 ] - [ 0.0002090800000000, -0.0001183800000000, 0.0009173700000000 ] - [ 0.0002093000000000, 0.0001221300000000, 0.0009170100000000 ] - [ -0.0002003400000000, -0.0006279200000000, -0.0000611400000000 ] - [ -0.0001865900000000, 0.0006062100000000, -0.0000646900000000 ] - [ 0.0021351400000000, 0.0003325200000000, 0.0077700500000000 ] - [ -0.0021761600000000, 0.0003678900000000, -0.0082951600000000 ] - [ -0.0068778000000000, 0.0152072800000000, 0.0054168900000000 ] - [ 0.0070808700000000, 0.0151544600000000, -0.0055069300000000 ] - [ -0.0005183800000000, -0.0000039800000000, 0.0010804200000000 ] - [ 0.0000913700000000, -0.0000023100000000, 0.0007521400000000 ] - [ -0.0000125400000000, -0.0025809100000000, -0.0002956500000000 ] - [ 0.0000268600000000, 0.0024812300000000, -0.0002936900000000 ] - [ 0.0002930100000000, -0.0000037100000000, 0.0000773100000000 ] - [ 0.0000849700000000, -0.0000009200000000, 0.0000480200000000 ] - [ 0.0001745300000000, -0.0071779200000000, -0.0008408100000000 ] - [ 0.0002125600000000, 0.0068213700000000, -0.0009194100000000 ] - [ 0.0010221800000000, -0.0465683600000000, -0.0009015100000000 ] - [ 0.0001825400000000, 0.0079099300000000, -0.0007846400000000 ] - [ 0.0006635600000000, 0.0000037800000000, 0.0001858400000000 ] - [ 0.0003499700000000, 0.0000033600000000, 0.0001844700000000 ] - [ -0.0005133400000000, -0.0006468200000000, -0.0001860900000000 ] - [ -0.0005041400000000, 0.0006788300000000, -0.0001845800000000 ] - [ -0.0007897300000000, -0.0000633000000000, 0.0007354400000000 ] - [ 0.0004143000000000, -0.0000585000000000, 0.0008288900000000 ] - [ 0.0001864700000000, -0.0001165000000000, 0.0007828800000000 ] - [ 0.0001864600000000, 0.0001149800000000, 0.0007848600000000 ] - [ 0.0015056600000000, -0.0000707500000000, -0.0014007600000000 ] - [ -0.0018688400000000, -0.0000575900000000, -0.0001710500000000 ] - [ -0.0004906000000000, -0.0098221200000000, 0.0001859900000000 ] - [ -0.0005132500000000, 0.0034065100000000, 0.0001854900000000 ] - [ -0.0042544400000000, 0.0053458600000000, -0.0082557300000000 ] - [ 0.0052247200000000, 0.0053628900000000, 0.0078296100000000 ] - [ -0.0015729600000000, -0.0023345400000000, 0.0024715400000000 ] - [ 0.0024336900000000, -0.0023690500000000, -0.0017933600000000 ] - [ 0.0004878600000000, 0.0000041700000000, -0.0003490800000000 ] - [ 0.0003822900000000, 0.0000032700000000, -0.0003259400000000 ] - [ -0.0004269900000000, 0.0013917200000000, 0.0003396700000000 ] - [ -0.0004359500000000, -0.0010198100000000, 0.0003374600000000 ] - [ -0.0004324000000000, 0.0000626200000000, -0.0003370000000000 ] - [ -0.0004315900000000, -0.0001597000000000, -0.0003368500000000 ] - [ -0.0107209100000000, 0.0111225800000000, -0.0023096400000000 ] - [ 0.0013256200000000, -0.0074811600000000, -0.0038330300000000 ] - [ -0.0000793000000000, 0.0000265100000000, -0.0001329000000000 ] - [ -0.0011388500000000, -0.0012990900000000, -0.0005461000000000 ] - [ 0.0000810800000000, 0.0000703000000000, -0.0000141200000000 ] - [ 0.0000779400000000, -0.0000702900000000, -0.0000173400000000 ] - [ 0.0002474800000000, 0.0008110900000000, -0.0013266900000000 ] - [ 0.0002010600000000, -0.0019117900000000, -0.0003392400000000 ] - [ -0.0027376500000000, -0.0021707900000000, -0.0066888000000000 ] - [ 0.0029106500000000, -0.0022498900000000, 0.0048183700000000 ] - [ -0.0000929100000000, 0.0003845700000000, 0.0009180500000000 ] - [ -0.0000851200000000, -0.0003567800000000, 0.0009237000000000 ] - [ -0.0000662800000000, 0.0004305700000000, -0.0009289100000000 ] - [ -0.0000913300000000, -0.0004623200000000, -0.0009214900000000 ] - [ -0.0018891900000000, 0.0011415200000000, -0.0003008700000000 ] - [ 0.0008198600000000, -0.0025047700000000, 0.0010145800000000 ] - [ -0.0003454200000000, -0.0004193300000000, 0.0008906300000000 ] - [ -0.0003550300000000, -0.0005774700000000, 0.0008304100000000 ] - [ 0.0001096200000000, 0.0058594500000000, 0.0000219200000000 ] - [ 0.0000830300000000, -0.0028529800000000, 0.0000139500000000 ] - [ 0.0005926600000000, 0.0005494100000000, 0.0003279400000000 ] - [ 0.0006565200000000, 0.0007430700000000, 0.0003542800000000 ] - [ 0.0001071100000000, -0.0000002800000000, 0.0008956000000000 ] - [ 0.0000739500000000, -0.0000004800000000, 0.0009442400000000 ] - [ -0.0011632400000000, 0.0013301600000000, -0.0005529200000000 ] - [ -0.0001049000000000, -0.0000056000000000, -0.0001362100000000 ] - [ -0.0003422000000000, 0.0004166700000000, 0.0008903200000000 ] - [ -0.0003491600000000, 0.0005759600000000, 0.0008293400000000 ] - [ 0.0007246500000000, 0.0011541000000000, 0.0008559000000000 ] - [ -0.0000157600000000, -0.0000854100000000, 0.0009537200000000 ] - [ 0.0009049600000000, 0.0002684900000000, 0.0002843500000000 ] - [ -0.0010649500000000, 0.0002634200000000, -0.0003106100000000 ] - [ -0.0015492800000000, -0.0041643700000000, -0.0035396600000000 ] - [ 0.0002827100000000, 0.0050213700000000, 0.0024326300000000 ] - [ -0.0000600300000000, -0.0061809900000000, 0.0031581500000000 ] - [ 0.0112979500000000, 0.0120265600000000, 0.0016867600000000 ] - [ 0.0006455200000000, 0.0024440100000000, 0.0009830100000000 ] - [ -0.0020563600000000, -0.0012093200000000, -0.0003315100000000 ] - [ 0.0005900200000000, -0.0005480700000000, 0.0003256200000000 ] - [ 0.0006504800000000, -0.0007472800000000, 0.0003549900000000 ] - [ -0.0000292100000000, 0.0001605700000000, 0.0008663700000000 ] - [ 0.0007199100000000, -0.0010829800000000, 0.0007652800000000 ] - [ 0.0004666100000000, 0.0018351500000000, -0.0003777800000000 ] - [ 0.0004947700000000, -0.0009201900000000, -0.0013839200000000 ] - [ -0.0011612600000000, 0.0000413400000000, 0.0001125000000000 ] - [ 0.0009991300000000, 0.0000357800000000, -0.0000783500000000 ] - [ -0.0009707500000000, 0.0041005500000000, -0.0041977900000000 ] - [ 0.0008503500000000, -0.0051597700000000, 0.0018138100000000 ]- atom: 25 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0000842700000000, 0.0000250900000000, 0.0002645700000000 ] - [ 0.0000842700000000, -0.0000250900000000, 0.0002645700000000 ] - [ 0.0016031000000000, 0.0000000000000000, 0.0016143800000000 ] - [ -0.0002799900000000, 0.0000000000000000, 0.0010378600000000 ] - [ 0.0002751800000000, 0.0006102400000000, -0.0020235100000000 ] - [ 0.0002751800000000, -0.0006102400000000, -0.0020235100000000 ] - [ 0.0001235300000000, 0.0000000000000000, 0.0008795900000000 ] - [ 0.0000891100000000, 0.0000000000000000, 0.0006787100000000 ] - [ 0.0003076300000000, 0.0000000000000000, 0.0009427600000000 ] - [ 0.0003023900000000, 0.0000000000000000, 0.0009411400000000 ] - [ 0.0000561100000000, 0.0000000000000000, 0.0001091100000000 ] - [ -0.0004095800000000, 0.0000000000000000, 0.0000846300000000 ] - [ 0.0002386600000000, 0.0001819700000000, 0.0077642400000000 ] - [ 0.0002386600000000, -0.0001819700000000, 0.0077642400000000 ] - [ -0.0060418800000000, 0.0064803700000000, 0.0007532000000000 ] - [ -0.0060418800000000, -0.0064803700000000, 0.0007532000000000 ] - [ -0.0002494800000000, 0.0000411700000000, 0.0010346300000000 ] - [ -0.0002494800000000, -0.0000411700000000, 0.0010346300000000 ] - [ -0.0027598000000000, 0.0000000000000000, -0.0000992200000000 ] - [ -0.0014761700000000, 0.0000000000000000, -0.0006008600000000 ] - [ 0.0002362200000000, 0.0001593200000000, -0.0000745200000000 ] - [ 0.0002362200000000, -0.0001593200000000, -0.0000745200000000 ] - [ -0.0082720200000000, 0.0000000000000000, 0.0292797500000000 ] - [ 0.0010187600000000, 0.0000000000000000, 0.0007551800000000 ] - [ -0.0155794800000000, 0.0000000000000000, -0.0659805500000000 ] - [ 0.0009210700000000, 0.0000000000000000, -0.0027643100000000 ] - [ 0.0006793500000000, 0.0001074100000000, 0.0002239800000000 ] - [ 0.0006793500000000, -0.0001074100000000, 0.0002239800000000 ] - [ 0.0007227200000000, 0.0000000000000000, -0.0005738200000000 ] - [ -0.0004909400000000, 0.0000000000000000, -0.0002641900000000 ] - [ 0.0004483500000000, -0.0000480200000000, 0.0004504600000000 ] - [ 0.0004483500000000, 0.0000480200000000, 0.0004504600000000 ] - [ 0.0004005700000000, 0.0000000000000000, 0.0007990300000000 ] - [ 0.0003279900000000, 0.0000000000000000, 0.0007759900000000 ] - [ -0.0003528000000000, 0.0006174400000000, -0.0000728300000000 ] - [ -0.0003528000000000, -0.0006174400000000, -0.0000728300000000 ] - [ -0.0007730100000000, 0.0000000000000000, -0.0023896100000000 ] - [ -0.0009430000000000, 0.0000000000000000, -0.0005511400000000 ] - [ 0.0056598800000000, -0.0081291100000000, 0.0000145500000000 ] - [ 0.0056598800000000, 0.0081291100000000, 0.0000145500000000 ] - [ 0.0013911800000000, 0.0015350700000000, 0.0009473100000000 ] - [ 0.0013911800000000, -0.0015350700000000, 0.0009473100000000 ] - [ 0.0003363300000000, -0.0000093800000000, -0.0003653100000000 ] - [ 0.0003363300000000, 0.0000093800000000, -0.0003653100000000 ] - [ -0.0015175300000000, 0.0000000000000000, -0.0011942800000000 ] - [ -0.0004590900000000, 0.0000000000000000, 0.0002531800000000 ] - [ -0.0002726700000000, 0.0000000000000000, -0.0002544400000000 ] - [ -0.0004261000000000, 0.0000000000000000, -0.0002533000000000 ] - [ 0.0033546100000000, -0.0017933200000000, 0.0057224600000000 ] - [ 0.0004354200000000, 0.0007947200000000, 0.0014933900000000 ] - [ -0.0007201200000000, -0.0004095800000000, -0.0003634400000000 ] - [ -0.0007011000000000, -0.0007604300000000, -0.0003762200000000 ] - [ -0.0000157400000000, 0.0000000000000000, -0.0000637700000000 ] - [ 0.0000037300000000, 0.0000000000000000, -0.0000384300000000 ] - [ 0.0006761900000000, -0.0005279500000000, -0.0007031700000000 ] - [ 0.0004877800000000, -0.0010992000000000, -0.0003013100000000 ] - [ 0.0005239000000000, -0.0036292200000000, -0.0048946500000000 ] - [ 0.0005239000000000, 0.0036292200000000, -0.0048946500000000 ] - [ -0.0009837700000000, 0.0000000000000000, 0.0005101700000000 ] - [ -0.0006316500000000, 0.0000000000000000, 0.0004109100000000 ] - [ -0.0007136900000000, 0.0000000000000000, -0.0005914300000000 ] - [ 0.0003427100000000, 0.0000000000000000, -0.0010890100000000 ] - [ -0.0018275600000000, -0.0007700900000000, 0.0003815700000000 ] - [ -0.0018578100000000, 0.0001297300000000, -0.0000438300000000 ] - [ -0.0004225200000000, -0.0005230900000000, 0.0008450100000000 ] - [ -0.0004063300000000, -0.0004867800000000, 0.0008484400000000 ] - [ 0.0230895700000000, 0.0000000000000000, 0.0315334100000000 ] - [ 0.0007490600000000, 0.0000000000000000, -0.0000080400000000 ] - [ 0.0005638400000000, 0.0005737000000000, 0.0003339000000000 ] - [ 0.0003004600000000, 0.0009286000000000, 0.0004816400000000 ] - [ -0.0000693500000000, -0.0000271900000000, 0.0010192300000000 ] - [ -0.0000693500000000, 0.0000271900000000, 0.0010192300000000 ] - [ -0.0007201200000000, 0.0004095800000000, -0.0003634400000000 ] - [ -0.0007011000000000, 0.0007604300000000, -0.0003762200000000 ] - [ -0.0004063300000000, 0.0004867800000000, 0.0008484400000000 ] - [ -0.0004225200000000, 0.0005230900000000, 0.0008450100000000 ] - [ 0.0004440800000000, 0.0006784400000000, 0.0007081700000000 ] - [ 0.0003857700000000, 0.0006761900000000, 0.0007427500000000 ] - [ 0.0002950400000000, -0.0001548400000000, 0.0002546500000000 ] - [ 0.0002950400000000, 0.0001548400000000, 0.0002546500000000 ] - [ -0.0000337900000000, -0.0005089400000000, -0.0026749300000000 ] - [ -0.0010464300000000, -0.0057855500000000, -0.0093095100000000 ] - [ 0.0004354200000000, -0.0007947200000000, 0.0014933900000000 ] - [ 0.0033546100000000, 0.0017933200000000, 0.0057224600000000 ] - [ -0.0018275600000000, 0.0007700900000000, 0.0003815700000000 ] - [ -0.0018578100000000, -0.0001297300000000, -0.0000438300000000 ] - [ 0.0003004600000000, -0.0009286000000000, 0.0004816400000000 ] - [ 0.0005638400000000, -0.0005737000000000, 0.0003339000000000 ] - [ 0.0004440800000000, -0.0006784400000000, 0.0007081700000000 ] - [ 0.0003857700000000, -0.0006761900000000, 0.0007427500000000 ] - [ 0.0006761900000000, 0.0005279500000000, -0.0007031700000000 ] - [ 0.0004877800000000, 0.0010992000000000, -0.0003013100000000 ] - [ -0.0001142400000000, -0.0002845000000000, -0.0000256100000000 ] - [ -0.0001142400000000, 0.0002845000000000, -0.0000256100000000 ] - [ -0.0010464300000000, 0.0057855500000000, -0.0093095100000000 ] - [ -0.0000337900000000, 0.0005089400000000, -0.0026749300000000 ]- atom: 25 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ -0.0001435700000000, -0.0000267400000000, 0.0003268700000000 ] - [ -0.0001435700000000, 0.0000267400000000, 0.0003268700000000 ] - [ -0.0019919600000000, 0.0000000000000000, -0.0014888900000000 ] - [ -0.0000992100000000, 0.0000000000000000, -0.0009188900000000 ] - [ -0.0006947300000000, -0.0006089500000000, 0.0001868100000000 ] - [ -0.0006947300000000, 0.0006089500000000, 0.0001868100000000 ] - [ -0.0000942800000000, 0.0000000000000000, -0.0003027200000000 ] - [ -0.0000544800000000, 0.0000000000000000, -0.0000957200000000 ] - [ 0.0001156400000000, 0.0000000000000000, 0.0008979300000000 ] - [ 0.0001151000000000, 0.0000000000000000, 0.0008980200000000 ] - [ -0.0004342700000000, 0.0000000000000000, -0.0002389600000000 ] - [ 0.0000341000000000, 0.0000000000000000, -0.0002146100000000 ] - [ -0.0002793300000000, -0.0001028700000000, -0.0083870900000000 ] - [ -0.0002793300000000, 0.0001028700000000, -0.0083870900000000 ] - [ 0.0063706600000000, -0.0065580700000000, -0.0009744200000000 ] - [ 0.0063706600000000, 0.0065580700000000, -0.0009744200000000 ] - [ -0.0001695800000000, -0.0000430600000000, 0.0007913700000000 ] - [ -0.0001695800000000, 0.0000430600000000, 0.0007913700000000 ] - [ 0.0028071000000000, 0.0000000000000000, -0.0004823600000000 ] - [ 0.0015362600000000, 0.0000000000000000, 0.0000079100000000 ] - [ 0.0001476700000000, -0.0001584600000000, 0.0002029600000000 ] - [ 0.0001476700000000, 0.0001584600000000, 0.0002029600000000 ] - [ 0.0087046400000000, 0.0000000000000000, -0.0314156300000000 ] - [ -0.0005889700000000, 0.0000000000000000, -0.0025805600000000 ] - [ 0.0166852000000000, 0.0000000000000000, 0.0669913900000000 ] - [ -0.0005669800000000, 0.0000000000000000, 0.0012038500000000 ] - [ 0.0003446600000000, -0.0001074600000000, 0.0001476400000000 ] - [ 0.0003446600000000, 0.0001074600000000, 0.0001476400000000 ] - [ -0.0017222700000000, 0.0000000000000000, 0.0002010000000000 ] - [ -0.0005203500000000, 0.0000000000000000, -0.0001069700000000 ] - [ -0.0008216200000000, 0.0000458100000000, 0.0011235700000000 ] - [ -0.0008216200000000, -0.0000458100000000, 0.0011235700000000 ] - [ -0.0000191100000000, 0.0000000000000000, 0.0007677700000000 ] - [ 0.0000513100000000, 0.0000000000000000, 0.0007911000000000 ] - [ -0.0000110900000000, -0.0006130800000000, -0.0014938500000000 ] - [ -0.0000110900000000, 0.0006130800000000, -0.0014938500000000 ] - [ -0.0001701100000000, 0.0000000000000000, 0.0028008200000000 ] - [ -0.0000698300000000, 0.0000000000000000, 0.0009312700000000 ] - [ -0.0046999800000000, 0.0081891200000000, -0.0003414800000000 ] - [ -0.0046999800000000, -0.0081891200000000, -0.0003414800000000 ] - [ -0.0005156200000000, -0.0015193500000000, -0.0003092700000000 ] - [ -0.0005156200000000, 0.0015193500000000, -0.0003092700000000 ] - [ 0.0005281900000000, 0.0000095500000000, -0.0003078900000000 ] - [ 0.0005281900000000, -0.0000095500000000, -0.0003078900000000 ] - [ 0.0006548500000000, 0.0000000000000000, 0.0019079000000000 ] - [ -0.0004087700000000, 0.0000000000000000, 0.0004228300000000 ] - [ -0.0006046800000000, 0.0000000000000000, -0.0004220800000000 ] - [ -0.0004417700000000, 0.0000000000000000, -0.0004200400000000 ] - [ -0.0020699800000000, 0.0004916800000000, -0.0063708000000000 ] - [ 0.0008217000000000, -0.0021217000000000, -0.0021935300000000 ] - [ -0.0005242500000000, -0.0008834100000000, -0.0003175200000000 ] - [ -0.0005452300000000, -0.0005338500000000, -0.0003040300000000 ] - [ 0.0001703900000000, 0.0000000000000000, 0.0000322700000000 ] - [ 0.0001561500000000, 0.0000000000000000, 0.0000113000000000 ] - [ 0.0000277700000000, -0.0004741300000000, -0.0010096600000000 ] - [ 0.0002098100000000, 0.0001033200000000, -0.0014186700000000 ] - [ -0.0002928800000000, 0.0036351600000000, 0.0031054600000000 ] - [ -0.0002928800000000, -0.0036351600000000, 0.0031054600000000 ] - [ 0.0008097100000000, 0.0000000000000000, 0.0013278900000000 ] - [ 0.0004613900000000, 0.0000000000000000, 0.0014381600000000 ] - [ 0.0005447700000000, 0.0000000000000000, -0.0012578300000000 ] - [ -0.0005219200000000, 0.0000000000000000, -0.0007499800000000 ] - [ 0.0005958800000000, -0.0005244300000000, 0.0002899100000000 ] - [ 0.0006281700000000, -0.0014302000000000, 0.0007282000000000 ] - [ -0.0002767700000000, -0.0004705700000000, 0.0008755400000000 ] - [ -0.0002916900000000, -0.0005100300000000, 0.0008700300000000 ] - [ -0.0238429400000000, 0.0000000000000000, -0.0337678600000000 ] - [ -0.0005893100000000, 0.0000000000000000, 0.0000307600000000 ] - [ 0.0006771100000000, 0.0007184900000000, 0.0003458300000000 ] - [ 0.0009376400000000, 0.0003668000000000, 0.0001992700000000 ] - [ 0.0002445100000000, 0.0000268800000000, 0.0008215200000000 ] - [ 0.0002445100000000, -0.0000268800000000, 0.0008215200000000 ] - [ -0.0005242500000000, 0.0008834100000000, -0.0003175200000000 ] - [ -0.0005452300000000, 0.0005338500000000, -0.0003040300000000 ] - [ -0.0002916900000000, 0.0005100300000000, 0.0008700300000000 ] - [ -0.0002767700000000, 0.0004705700000000, 0.0008755400000000 ] - [ 0.0002481600000000, 0.0003123000000000, 0.0010185200000000 ] - [ 0.0003147800000000, 0.0003182300000000, 0.0009786400000000 ] - [ -0.0004658400000000, 0.0001637800000000, -0.0002854300000000 ] - [ -0.0004658400000000, -0.0001637800000000, -0.0002854300000000 ] - [ -0.0006569100000000, 0.0014951800000000, 0.0009539900000000 ] - [ 0.0003546200000000, 0.0068499600000000, 0.0075920400000000 ] - [ 0.0008217000000000, 0.0021217000000000, -0.0021935300000000 ] - [ -0.0020699800000000, -0.0004916800000000, -0.0063708000000000 ] - [ 0.0005958800000000, 0.0005244300000000, 0.0002899100000000 ] - [ 0.0006281700000000, 0.0014302000000000, 0.0007282000000000 ] - [ 0.0009376400000000, -0.0003668000000000, 0.0001992700000000 ] - [ 0.0006771100000000, -0.0007184900000000, 0.0003458300000000 ] - [ 0.0002481600000000, -0.0003123000000000, 0.0010185200000000 ] - [ 0.0003147800000000, -0.0003182300000000, 0.0009786400000000 ] - [ 0.0000277700000000, 0.0004741300000000, -0.0010096600000000 ] - [ 0.0002098100000000, -0.0001033200000000, -0.0014186700000000 ] - [ -0.0000449900000000, 0.0002824900000000, 0.0000559200000000 ] - [ -0.0000449900000000, -0.0002824900000000, 0.0000559200000000 ] - [ 0.0003546200000000, -0.0068499600000000, 0.0075920400000000 ] - [ -0.0006569100000000, -0.0014951800000000, 0.0009539900000000 ]- atom: 27 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0042055900000000, 0.0000000000000000, 0.0109766100000000 ] - [ 0.0008583100000000, 0.0000000000000000, 0.0023496700000000 ] - [ 0.0019069200000000, -0.0003752600000000, 0.0006121000000000 ] - [ 0.0019069200000000, 0.0003752600000000, 0.0006121000000000 ] - [ 0.0016594600000000, 0.0000000000000000, 0.0015125600000000 ] - [ 0.0005903700000000, 0.0000000000000000, -0.0014129900000000 ] - [ 0.0025795500000000, -0.0021513300000000, 0.0005662100000000 ] - [ 0.0025795500000000, 0.0021513300000000, 0.0005662100000000 ] - [ 0.0030996100000000, -0.0101695800000000, 0.0043968100000000 ] - [ 0.0030996100000000, 0.0101695800000000, 0.0043968100000000 ] - [ -0.0010423700000000, 0.0142514300000000, -0.0075382400000000 ] - [ -0.0010423700000000, -0.0142514300000000, -0.0075382400000000 ] - [ 0.0025074600000000, 0.0000000000000000, 0.0000549000000000 ] - [ 0.0017368300000000, 0.0000000000000000, 0.0001088800000000 ] - [ 0.0025621200000000, 0.0000000000000000, 0.0004055400000000 ] - [ 0.0021016100000000, 0.0000000000000000, 0.0003097100000000 ] - [ 0.0033431400000000, 0.0000000000000000, -0.0008096200000000 ] - [ 0.0002669000000000, 0.0000000000000000, 0.0000595300000000 ] - [ 0.0020204700000000, 0.0005123800000000, -0.0019505100000000 ] - [ 0.0020204700000000, -0.0005123800000000, -0.0019505100000000 ] - [ -0.0077177700000000, 0.0000000000000000, 0.0038981000000000 ] - [ -0.0031957700000000, 0.0000000000000000, 0.0008492600000000 ] - [ 0.0019877300000000, 0.0002762200000000, -0.0014310100000000 ] - [ 0.0019877300000000, -0.0002762200000000, -0.0014310100000000 ] - [ 0.0030334900000000, 0.0001565400000000, -0.0006163400000000 ] - [ 0.0030334900000000, -0.0001565400000000, -0.0006163400000000 ] - [ -0.0599002000000000, 0.0000000000000000, 0.0015815800000000 ] - [ -0.0085653100000000, 0.0000000000000000, 0.0002884800000000 ] - [ -0.0030272600000000, 0.0064196300000000, 0.0062487900000000 ] - [ -0.0030272600000000, -0.0064196300000000, 0.0062487900000000 ] - [ 0.0039511900000000, 0.0000000000000000, 0.0020092600000000 ] - [ 0.0014740400000000, 0.0000000000000000, 0.0007991800000000 ] - [ -0.0039380000000000, -0.0047328100000000, -0.0043980900000000 ] - [ -0.0039380000000000, 0.0047328100000000, -0.0043980900000000 ] - [ 0.0156467200000000, 0.0000000000000000, -0.0004723900000000 ] - [ 0.0013615500000000, 0.0000000000000000, -0.0003489800000000 ] - [ 0.0030031100000000, -0.0004630400000000, 0.0000578600000000 ] - [ 0.0030031100000000, 0.0004630400000000, 0.0000578600000000 ] - [ 0.0044823900000000, 0.0000000000000000, -0.0001828900000000 ] - [ 0.0039201600000000, 0.0000000000000000, -0.0001876200000000 ] - [ -0.0017819000000000, 0.0000000000000000, 0.0002715600000000 ] - [ -0.0011631500000000, 0.0000000000000000, 0.0002411200000000 ] - [ 0.0033015000000000, 0.0000000000000000, -0.0010833000000000 ] - [ 0.0014632600000000, 0.0000000000000000, -0.0000022900000000 ] - [ -0.0013703400000000, -0.0006733500000000, 0.0000649200000000 ] - [ -0.0013703400000000, 0.0006733500000000, 0.0000649200000000 ] - [ -0.0016819200000000, 0.0005969900000000, -0.0005521600000000 ] - [ -0.0016819200000000, -0.0005969900000000, -0.0005521600000000 ] - [ -0.0013829400000000, -0.0008184700000000, -0.0006251100000000 ] - [ -0.0013314300000000, -0.0007829200000000, -0.0005737400000000 ] - [ 0.0015441900000000, -0.0066492600000000, -0.0032829700000000 ] - [ 0.0105223100000000, 0.0003312900000000, 0.0024481500000000 ] - [ 0.0026891300000000, 0.0052063200000000, 0.0005484100000000 ] - [ 0.0026891300000000, -0.0052063200000000, 0.0005484100000000 ] - [ -0.0003092600000000, -0.0016256900000000, -0.0004874400000000 ] - [ -0.0001653100000000, 0.0000374700000000, -0.0011696800000000 ] - [ -0.0028878100000000, 0.0000000000000000, -0.0019683400000000 ] - [ -0.0021853900000000, 0.0000000000000000, -0.0017272000000000 ] - [ -0.0024545900000000, 0.0003292100000000, 0.0000587200000000 ] - [ -0.0024545900000000, -0.0003292100000000, 0.0000587200000000 ] - [ -0.0032270000000000, -0.0018435600000000, 0.0019344100000000 ] - [ -0.0032270000000000, 0.0018435600000000, 0.0019344100000000 ] - [ -0.0021784400000000, -0.0000709600000000, -0.0000374500000000 ] - [ -0.0029840400000000, -0.0008919000000000, 0.0002558500000000 ] - [ -0.0013575800000000, 0.0013905900000000, -0.0009665200000000 ] - [ 0.0012809500000000, -0.0034749300000000, -0.0008080500000000 ] - [ -0.0016100000000000, -0.0000374400000000, 0.0002997400000000 ] - [ -0.0016100000000000, 0.0000374400000000, 0.0002997400000000 ] - [ 0.0090192400000000, -0.0002387800000000, -0.0000260800000000 ] - [ 0.0050008700000000, 0.0004694500000000, 0.0003809900000000 ] - [ 0.0066759200000000, 0.0000000000000000, -0.0022201800000000 ] - [ 0.0032082200000000, 0.0000000000000000, -0.0006910800000000 ] - [ 0.0105223100000000, -0.0003312900000000, 0.0024481500000000 ] - [ 0.0015441900000000, 0.0066492600000000, -0.0032829700000000 ] - [ -0.0013575800000000, -0.0013905900000000, -0.0009665200000000 ] - [ 0.0012809500000000, 0.0034749300000000, -0.0008080500000000 ] - [ -0.0008194200000000, 0.0014209500000000, 0.0010700700000000 ] - [ -0.0010539800000000, -0.0004923200000000, 0.0014721100000000 ] - [ -0.0028604400000000, 0.0000000000000000, 0.0001040200000000 ] - [ -0.0012510000000000, 0.0000000000000000, 0.0004283000000000 ] - [ -0.0017178200000000, 0.0007983600000000, -0.0005230600000000 ] - [ -0.0015236800000000, 0.0004165600000000, -0.0007375000000000 ] - [ -0.0013829400000000, 0.0008184700000000, -0.0006251100000000 ] - [ -0.0013314300000000, 0.0007829200000000, -0.0005737400000000 ] - [ -0.0029840400000000, 0.0008919000000000, 0.0002558500000000 ] - [ -0.0021784400000000, 0.0000709600000000, -0.0000374500000000 ] - [ 0.0090192400000000, 0.0002387800000000, -0.0000260800000000 ] - [ 0.0050008700000000, -0.0004694500000000, 0.0003809900000000 ] - [ -0.0010539800000000, 0.0004923200000000, 0.0014721100000000 ] - [ -0.0008194200000000, -0.0014209500000000, 0.0010700700000000 ] - [ -0.0001653100000000, -0.0000374700000000, -0.0011696800000000 ] - [ -0.0003092600000000, 0.0016256900000000, -0.0004874400000000 ] - [ -0.0030666800000000, 0.0000000000000000, -0.0043230800000000 ] - [ 0.0002342700000000, 0.0000000000000000, -0.0002006400000000 ] - [ -0.0017178200000000, -0.0007983600000000, -0.0005230600000000 ] - [ -0.0015236800000000, -0.0004165600000000, -0.0007375000000000 ]- atom: 27 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0042873700000000, 0.0000000000000000, -0.0102948900000000 ] - [ -0.0009343100000000, 0.0000000000000000, -0.0017547600000000 ] - [ -0.0022867700000000, 0.0003714700000000, -0.0004791400000000 ] - [ -0.0022867700000000, -0.0003714700000000, -0.0004791400000000 ] - [ -0.0020848300000000, 0.0000000000000000, -0.0033706200000000 ] - [ -0.0010080300000000, 0.0000000000000000, -0.0004151300000000 ] - [ -0.0025077600000000, 0.0021378900000000, 0.0000275900000000 ] - [ -0.0025077600000000, -0.0021378900000000, 0.0000275900000000 ] - [ -0.0027115000000000, 0.0101011500000000, -0.0025712500000000 ] - [ -0.0027115000000000, -0.0101011500000000, -0.0025712500000000 ] - [ 0.0006628400000000, -0.0143088500000000, 0.0074298800000000 ] - [ 0.0006628400000000, 0.0143088500000000, 0.0074298800000000 ] - [ -0.0025751300000000, 0.0000000000000000, -0.0006482200000000 ] - [ -0.0018041500000000, 0.0000000000000000, -0.0007041500000000 ] - [ -0.0021826700000000, 0.0000000000000000, -0.0005382700000000 ] - [ -0.0017215300000000, 0.0000000000000000, -0.0004418400000000 ] - [ -0.0037538300000000, 0.0000000000000000, 0.0026372600000000 ] - [ -0.0006988400000000, 0.0000000000000000, 0.0017683100000000 ] - [ -0.0019560700000000, -0.0005170000000000, 0.0013567600000000 ] - [ -0.0019560700000000, 0.0005170000000000, 0.0013567600000000 ] - [ 0.0080674700000000, 0.0000000000000000, -0.0036747500000000 ] - [ 0.0035792900000000, 0.0000000000000000, -0.0007136800000000 ] - [ -0.0015639500000000, -0.0002781500000000, -0.0004017200000000 ] - [ -0.0015639500000000, 0.0002781500000000, -0.0004017200000000 ] - [ -0.0026564300000000, -0.0001579900000000, -0.0009507900000000 ] - [ -0.0026564300000000, 0.0001579900000000, -0.0009507900000000 ] - [ 0.0618617200000000, 0.0000000000000000, -0.0014781100000000 ] - [ 0.0096024900000000, 0.0000000000000000, 0.0000773400000000 ] - [ 0.0020623400000000, -0.0064310300000000, -0.0066601900000000 ] - [ 0.0020623400000000, 0.0064310300000000, -0.0066601900000000 ] - [ -0.0043194800000000, 0.0000000000000000, -0.0004353100000000 ] - [ -0.0018578000000000, 0.0000000000000000, 0.0007686000000000 ] - [ 0.0042325000000000, 0.0047458900000000, 0.0059608200000000 ] - [ 0.0042325000000000, -0.0047458900000000, 0.0059608200000000 ] - [ -0.0161986800000000, 0.0000000000000000, -0.0010761800000000 ] - [ -0.0017376000000000, 0.0000000000000000, -0.0012212200000000 ] - [ -0.0040225500000000, 0.0004578300000000, 0.0003120300000000 ] - [ -0.0040225500000000, -0.0004578300000000, 0.0003120300000000 ] - [ -0.0034636900000000, 0.0000000000000000, -0.0001879300000000 ] - [ -0.0029035700000000, 0.0000000000000000, -0.0001822800000000 ] - [ 0.0026506500000000, 0.0000000000000000, 0.0004027900000000 ] - [ 0.0020282500000000, 0.0000000000000000, 0.0004325100000000 ] - [ -0.0020348000000000, 0.0000000000000000, 0.0003404300000000 ] - [ -0.0005861100000000, 0.0000000000000000, -0.0006701000000000 ] - [ 0.0004979500000000, 0.0006775900000000, 0.0006106200000000 ] - [ 0.0004979500000000, -0.0006775900000000, 0.0006106200000000 ] - [ 0.0008247600000000, -0.0005948500000000, -0.0001205500000000 ] - [ 0.0008247600000000, 0.0005948500000000, -0.0001205500000000 ] - [ 0.0026254200000000, -0.0004715500000000, -0.0000531500000000 ] - [ 0.0025735800000000, -0.0005084600000000, -0.0001049300000000 ] - [ -0.0027854500000000, 0.0053740100000000, 0.0026165500000000 ] - [ -0.0124225000000000, -0.0011972800000000, -0.0029911900000000 ] - [ -0.0024487200000000, -0.0052700100000000, -0.0005532400000000 ] - [ -0.0024487200000000, 0.0052700100000000, -0.0005532400000000 ] - [ 0.0010060400000000, 0.0006331800000000, -0.0012334600000000 ] - [ 0.0008586700000000, -0.0010402100000000, -0.0005454800000000 ] - [ 0.0030674000000000, 0.0000000000000000, 0.0001301100000000 ] - [ 0.0023620400000000, 0.0000000000000000, -0.0001109900000000 ] - [ 0.0022770700000000, -0.0003268700000000, 0.0017804500000000 ] - [ 0.0022770700000000, 0.0003268700000000, 0.0017804500000000 ] - [ 0.0030369300000000, 0.0018435800000000, -0.0037644000000000 ] - [ 0.0030369300000000, -0.0018435800000000, -0.0037644000000000 ] - [ 0.0009374200000000, -0.0012170000000000, 0.0007145000000000 ] - [ 0.0017385700000000, -0.0004026900000000, 0.0004239000000000 ] - [ 0.0007001600000000, -0.0023958100000000, 0.0027103200000000 ] - [ -0.0019687700000000, 0.0024794100000000, 0.0025320500000000 ] - [ 0.0017678000000000, 0.0000381100000000, -0.0002727400000000 ] - [ 0.0017678000000000, -0.0000381100000000, -0.0002727400000000 ] - [ -0.0077870500000000, 0.0015994900000000, 0.0005887800000000 ] - [ -0.0037622500000000, 0.0008163300000000, 0.0002963600000000 ] - [ -0.0064378200000000, 0.0000000000000000, 0.0040417500000000 ] - [ -0.0030302900000000, 0.0000000000000000, 0.0025296600000000 ] - [ -0.0124225000000000, 0.0011972800000000, -0.0029911900000000 ] - [ -0.0027854500000000, -0.0053740100000000, 0.0026165500000000 ] - [ 0.0007001600000000, 0.0023958100000000, 0.0027103200000000 ] - [ -0.0019687700000000, -0.0024794100000000, 0.0025320500000000 ] - [ 0.0015188700000000, -0.0004186500000000, 0.0006485700000000 ] - [ 0.0017496300000000, 0.0014810000000000, 0.0002512400000000 ] - [ 0.0026932600000000, 0.0000000000000000, -0.0001317000000000 ] - [ 0.0010972600000000, 0.0000000000000000, -0.0004552800000000 ] - [ 0.0010207500000000, 0.0001952300000000, -0.0011974400000000 ] - [ 0.0008256700000000, 0.0005796000000000, -0.0009821600000000 ] - [ 0.0026254200000000, 0.0004715500000000, -0.0000531500000000 ] - [ 0.0025735800000000, 0.0005084600000000, -0.0001049300000000 ] - [ 0.0017385700000000, 0.0004026900000000, 0.0004239000000000 ] - [ 0.0009374200000000, 0.0012170000000000, 0.0007145000000000 ] - [ -0.0077870500000000, -0.0015994900000000, 0.0005887800000000 ] - [ -0.0037622500000000, -0.0008163300000000, 0.0002963600000000 ] - [ 0.0017496300000000, -0.0014810000000000, 0.0002512400000000 ] - [ 0.0015188700000000, 0.0004186500000000, 0.0006485700000000 ] - [ 0.0008586700000000, 0.0010402100000000, -0.0005454800000000 ] - [ 0.0010060400000000, -0.0006331800000000, -0.0012334600000000 ] - [ 0.0029351400000000, 0.0000000000000000, 0.0043923400000000 ] - [ -0.0003988100000000, 0.0000000000000000, 0.0002271100000000 ] - [ 0.0010207500000000, -0.0001952300000000, -0.0011974400000000 ] - [ 0.0008256700000000, -0.0005796000000000, -0.0009821600000000 ]- atom: 27 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0000337400000000, -0.0129536500000000, 0.0002745400000000 ] - [ -0.0000170300000000, 0.0059117700000000, 0.0002990800000000 ] - [ -0.0004385600000000, 0.0000063800000000, -0.0000675900000000 ] - [ 0.0000585800000000, 0.0000018700000000, 0.0001952500000000 ] - [ -0.0002102400000000, -0.0022464300000000, -0.0009126300000000 ] - [ -0.0002146900000000, 0.0025095300000000, -0.0009192300000000 ] - [ -0.0007134500000000, -0.0000726800000000, 0.0003891000000000 ] - [ 0.0007751100000000, -0.0000918900000000, 0.0002051600000000 ] - [ -0.0094208900000000, 0.0061652100000000, -0.0097798000000000 ] - [ 0.0099773700000000, 0.0061626500000000, 0.0117588800000000 ] - [ 0.0055578900000000, 0.0113034900000000, -0.0059988800000000 ] - [ -0.0060204400000000, 0.0112969200000000, 0.0058840300000000 ] - [ -0.0000249300000000, -0.0003922900000000, -0.0002946000000000 ] - [ -0.0000252200000000, 0.0003667700000000, -0.0002949700000000 ] - [ 0.0001908400000000, -0.0002777100000000, -0.0000649100000000 ] - [ 0.0001915800000000, 0.0002877100000000, -0.0000666900000000 ] - [ -0.0002226000000000, -0.0007332000000000, 0.0009228200000000 ] - [ -0.0002104600000000, 0.0007554100000000, 0.0009175900000000 ] - [ 0.0007305800000000, -0.0002844200000000, -0.0023969800000000 ] - [ -0.0006677500000000, -0.0002880700000000, 0.0018055000000000 ] - [ 0.0001880400000000, -0.0178905000000000, 0.0001065600000000 ] - [ 0.0001862500000000, 0.0042463700000000, 0.0000666000000000 ] - [ 0.0004949100000000, 0.0000015900000000, -0.0009191900000000 ] - [ -0.0000700100000000, 0.0000012700000000, -0.0009130500000000 ] - [ 0.0005563100000000, 0.0000037400000000, -0.0006763900000000 ] - [ -0.0001856800000000, 0.0000043800000000, -0.0008906900000000 ] - [ 0.0007227000000000, -0.0390454800000000, 0.0002265800000000 ] - [ 0.0004948500000000, 0.0107650500000000, 0.0001830600000000 ] - [ 0.0058965600000000, 0.0057898800000000, 0.0048254700000000 ] - [ -0.0069551000000000, 0.0057845700000000, -0.0052298700000000 ] - [ -0.0001892500000000, -0.0006476800000000, 0.0007785300000000 ] - [ -0.0001807000000000, 0.0006778000000000, 0.0007839500000000 ] - [ -0.0058329800000000, 0.0053592700000000, 0.0088887000000000 ] - [ 0.0062469900000000, 0.0053509000000000, -0.0074298700000000 ] - [ -0.0001676000000000, -0.0098230700000000, -0.0007858600000000 ] - [ -0.0001896800000000, 0.0034060900000000, -0.0007836300000000 ] - [ -0.0009661300000000, 0.0000019000000000, 0.0001470300000000 ] - [ -0.0000463700000000, -0.0000031200000000, 0.0002246700000000 ] - [ 0.0005068500000000, -0.0002259500000000, -0.0001850700000000 ] - [ 0.0005082500000000, 0.0002240600000000, -0.0001854000000000 ] - [ 0.0004314000000000, 0.0002583100000000, 0.0003362200000000 ] - [ 0.0004316200000000, -0.0002866800000000, 0.0003365400000000 ] - [ 0.0004686600000000, 0.0035243900000000, -0.0003384300000000 ] - [ 0.0004248500000000, -0.0030239000000000, -0.0003339800000000 ] - [ -0.0013200300000000, 0.0001265400000000, 0.0005663700000000 ] - [ 0.0004570800000000, 0.0001292300000000, 0.0001053300000000 ] - [ 0.0007366600000000, 0.0000744500000000, 0.0000195200000000 ] - [ -0.0016120200000000, 0.0000798000000000, -0.0006984000000000 ] - [ 0.0005947900000000, -0.0003452500000000, -0.0002397700000000 ] - [ 0.0006512000000000, -0.0009485500000000, -0.0004380100000000 ] - [ -0.0012651700000000, -0.0059255100000000, -0.0023523900000000 ] - [ -0.0011871500000000, 0.0038501400000000, -0.0019966900000000 ] - [ 0.0087380700000000, -0.0054720900000000, 0.0012056900000000 ] - [ -0.0086327800000000, -0.0052782300000000, -0.0012457500000000 ] - [ -0.0005760900000000, -0.0023140300000000, -0.0003041800000000 ] - [ 0.0010292700000000, 0.0012404300000000, -0.0015185900000000 ] - [ 0.0000879700000000, 0.0001171400000000, -0.0009167900000000 ] - [ 0.0000853900000000, -0.0001098900000000, -0.0009206000000000 ] - [ 0.0005377700000000, 0.0000003400000000, 0.0010197700000000 ] - [ -0.0007120000000000, 0.0000029800000000, 0.0008181200000000 ] - [ -0.0049897700000000, -0.0009341800000000, 0.0012044700000000 ] - [ 0.0048170300000000, -0.0009268200000000, -0.0030273900000000 ] - [ -0.0006416600000000, -0.0008516100000000, 0.0003877600000000 ] - [ -0.0006101100000000, -0.0004470600000000, 0.0002954600000000 ] - [ 0.0041117000000000, 0.0059690100000000, 0.0049540800000000 ] - [ -0.0009103600000000, -0.0061182000000000, -0.0023953300000000 ] - [ -0.0000417200000000, -0.0000009200000000, -0.0000205100000000 ] - [ 0.0002002400000000, -0.0000004800000000, 0.0000457900000000 ] - [ 0.0015317200000000, 0.0087937700000000, 0.0079368100000000 ] - [ 0.0000242300000000, -0.0030331200000000, -0.0008000900000000 ] - [ 0.0000899700000000, 0.0038517800000000, 0.0009171400000000 ] - [ 0.0000897800000000, -0.0022356200000000, 0.0009133900000000 ] - [ -0.0003576300000000, 0.0049084800000000, 0.0014082700000000 ] - [ 0.0000451500000000, -0.0046165000000000, 0.0016687800000000 ] - [ -0.0047587700000000, 0.0070844800000000, -0.0032054300000000 ] - [ 0.0002051900000000, -0.0051097100000000, 0.0041010400000000 ] - [ 0.0004553300000000, 0.0009597100000000, 0.0007484300000000 ] - [ 0.0002644700000000, 0.0000861300000000, 0.0009814000000000 ] - [ -0.0000741100000000, 0.0002378100000000, -0.0000130500000000 ] - [ -0.0000833700000000, -0.0002295200000000, -0.0000118900000000 ] - [ -0.0003056000000000, 0.0007069700000000, -0.0008099700000000 ] - [ -0.0003707200000000, 0.0002855400000000, -0.0009158700000000 ] - [ 0.0006466000000000, 0.0009473800000000, -0.0004386100000000 ] - [ 0.0005895700000000, 0.0003398300000000, -0.0002374300000000 ] - [ -0.0006295100000000, 0.0008381400000000, 0.0003786300000000 ] - [ -0.0006036900000000, 0.0004414100000000, 0.0002897400000000 ] - [ -0.0002990000000000, 0.0073469600000000, -0.0074272200000000 ] - [ 0.0012238500000000, -0.0043172200000000, 0.0014857100000000 ] - [ 0.0004330500000000, -0.0009180100000000, 0.0007344200000000 ] - [ 0.0002426000000000, -0.0000258100000000, 0.0009715200000000 ] - [ -0.0003333100000000, 0.0022307200000000, -0.0002026500000000 ] - [ 0.0012765100000000, -0.0013179500000000, -0.0014147300000000 ] - [ -0.0000899800000000, 0.0019956100000000, 0.0000042400000000 ] - [ -0.0000765600000000, -0.0020485500000000, 0.0000150500000000 ] - [ -0.0003908000000000, -0.0002875000000000, -0.0009110400000000 ] - [ -0.0003299700000000, -0.0007129700000000, -0.0008026800000000 ]- atom: 27 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0069348600000000, 0.0000000000000000, 0.0147902900000000 ] - [ 0.0003135100000000, 0.0000000000000000, 0.0024904300000000 ] - [ -0.0003213500000000, 0.0000022700000000, 0.0000048800000000 ] - [ -0.0003213500000000, -0.0000022700000000, 0.0000048800000000 ] - [ 0.0000469600000000, 0.0000000000000000, 0.0005299800000000 ] - [ 0.0000954100000000, 0.0000000000000000, -0.0002221500000000 ] - [ -0.0003945600000000, 0.0001870100000000, 0.0004164500000000 ] - [ -0.0003945600000000, -0.0001870100000000, 0.0004164500000000 ] - [ 0.0028279500000000, -0.0082851600000000, -0.0043162200000000 ] - [ 0.0028279500000000, 0.0082851600000000, -0.0043162200000000 ] - [ -0.0033569300000000, -0.0058003200000000, 0.0018765400000000 ] - [ -0.0033569300000000, 0.0058003200000000, 0.0018765400000000 ] - [ -0.0000681100000000, 0.0000000000000000, -0.0003077600000000 ] - [ 0.0000330500000000, 0.0000000000000000, -0.0003102600000000 ] - [ 0.0001432100000000, 0.0000000000000000, -0.0000145200000000 ] - [ 0.0001891300000000, 0.0000000000000000, -0.0000143200000000 ] - [ -0.0000782000000000, 0.0000000000000000, 0.0013635200000000 ] - [ -0.0001580100000000, 0.0000000000000000, 0.0012012300000000 ] - [ -0.0000139000000000, 0.0002886800000000, 0.0011459900000000 ] - [ -0.0000139000000000, -0.0002886800000000, 0.0011459900000000 ] - [ -0.0020495800000000, 0.0000000000000000, 0.0249892600000000 ] - [ 0.0000003300000000, 0.0000000000000000, 0.0018544800000000 ] - [ 0.0002149600000000, -0.0000257900000000, -0.0009898900000000 ] - [ 0.0002149600000000, 0.0000257900000000, -0.0009898900000000 ] - [ 0.0002220900000000, 0.0000005600000000, -0.0007457600000000 ] - [ 0.0002220900000000, -0.0000005600000000, -0.0007457600000000 ] - [ 0.0020663800000000, 0.0000000000000000, -0.0433606500000000 ] - [ 0.0006079800000000, 0.0000000000000000, -0.0015197900000000 ] - [ 0.0059199800000000, 0.0050157200000000, -0.0029329700000000 ] - [ 0.0059199800000000, -0.0050157200000000, -0.0029329700000000 ] - [ 0.0000368900000000, 0.0000000000000000, 0.0003935200000000 ] - [ 0.0000523700000000, 0.0000000000000000, 0.0007041800000000 ] - [ -0.0066065900000000, 0.0080040800000000, 0.0009782400000000 ] - [ -0.0066065900000000, -0.0080040800000000, 0.0009782400000000 ] - [ -0.0038212700000000, 0.0000000000000000, -0.0033736400000000 ] - [ -0.0006927200000000, 0.0000000000000000, -0.0015204800000000 ] - [ -0.0003758600000000, 0.0000379300000000, 0.0002348800000000 ] - [ -0.0003758600000000, -0.0000379300000000, 0.0002348800000000 ] - [ 0.0005100800000000, 0.0000000000000000, -0.0002090900000000 ] - [ 0.0005146300000000, 0.0000000000000000, -0.0002098000000000 ] - [ 0.0004151400000000, 0.0000000000000000, 0.0001292000000000 ] - [ 0.0004354100000000, 0.0000000000000000, 0.0002931000000000 ] - [ -0.0004669100000000, 0.0000000000000000, 0.0020357700000000 ] - [ 0.0004606900000000, 0.0000000000000000, 0.0006846000000000 ] - [ -0.0012322700000000, 0.0000924500000000, 0.0006551900000000 ] - [ -0.0012322700000000, -0.0000924500000000, 0.0006551900000000 ] - [ -0.0008029200000000, 0.0003535400000000, -0.0007662700000000 ] - [ -0.0008029200000000, -0.0003535400000000, -0.0007662700000000 ] - [ 0.0006069800000000, -0.0006712400000000, -0.0003443200000000 ] - [ 0.0005998000000000, -0.0006776800000000, -0.0003532800000000 ] - [ -0.0003501400000000, 0.0008372900000000, 0.0015210100000000 ] - [ 0.0002581700000000, -0.0015329200000000, 0.0035172100000000 ] - [ 0.0011826800000000, 0.0007077700000000, 0.0058683800000000 ] - [ 0.0011826800000000, -0.0007077700000000, 0.0058683800000000 ] - [ 0.0002573400000000, -0.0001725200000000, -0.0014480000000000 ] - [ 0.0001362200000000, 0.0002792400000000, -0.0016191100000000 ] - [ 0.0001752200000000, 0.0000000000000000, -0.0008540500000000 ] - [ 0.0000811000000000, 0.0000000000000000, -0.0009261900000000 ] - [ 0.0002427200000000, -0.0000249600000000, 0.0011550000000000 ] - [ 0.0002427200000000, 0.0000249600000000, 0.0011550000000000 ] - [ 0.0018388200000000, 0.0002303700000000, -0.0018478700000000 ] - [ 0.0018388200000000, -0.0002303700000000, -0.0018478700000000 ] - [ -0.0006470100000000, -0.0007157700000000, 0.0003930900000000 ] - [ -0.0006443700000000, -0.0007232800000000, 0.0003655400000000 ] - [ -0.0068215800000000, 0.0014150100000000, 0.0009735700000000 ] - [ -0.0001556700000000, -0.0019470400000000, 0.0005341500000000 ] - [ 0.0000619500000000, 0.0000027700000000, 0.0000084700000000 ] - [ 0.0000619500000000, -0.0000027700000000, 0.0000084700000000 ] - [ 0.0013659900000000, 0.0008432700000000, -0.0002933400000000 ] - [ 0.0000959100000000, -0.0010220300000000, 0.0004488800000000 ] - [ 0.0087914700000000, 0.0000000000000000, -0.0067113500000000 ] - [ 0.0009497600000000, 0.0000000000000000, -0.0004640300000000 ] - [ 0.0002581700000000, 0.0015329200000000, 0.0035172100000000 ] - [ -0.0003501400000000, -0.0008372900000000, 0.0015210100000000 ] - [ -0.0068215800000000, -0.0014150100000000, 0.0009735700000000 ] - [ -0.0001556700000000, 0.0019470400000000, 0.0005341500000000 ] - [ 0.0004007100000000, 0.0006345400000000, 0.0006383700000000 ] - [ 0.0004855700000000, 0.0006848300000000, 0.0006612800000000 ] - [ -0.0000087600000000, 0.0000000000000000, 0.0001137600000000 ] - [ -0.0000911100000000, 0.0000000000000000, -0.0001199500000000 ] - [ -0.0003211000000000, 0.0004473900000000, -0.0008781400000000 ] - [ -0.0003570800000000, 0.0005052700000000, -0.0008276200000000 ] - [ 0.0006069800000000, 0.0006712400000000, -0.0003443200000000 ] - [ 0.0005998000000000, 0.0006776800000000, -0.0003532800000000 ] - [ -0.0006443700000000, 0.0007232800000000, 0.0003655400000000 ] - [ -0.0006470100000000, 0.0007157700000000, 0.0003930900000000 ] - [ 0.0013659900000000, -0.0008432700000000, -0.0002933400000000 ] - [ 0.0000959100000000, 0.0010220300000000, 0.0004488800000000 ] - [ 0.0004855700000000, -0.0006848300000000, 0.0006612800000000 ] - [ 0.0004007100000000, -0.0006345400000000, 0.0006383700000000 ] - [ 0.0001362200000000, -0.0002792400000000, -0.0016191100000000 ] - [ 0.0002573400000000, 0.0001725200000000, -0.0014480000000000 ] - [ -0.0032468800000000, 0.0000000000000000, 0.0003960200000000 ] - [ -0.0008050800000000, 0.0000000000000000, 0.0001000700000000 ] - [ -0.0003211000000000, -0.0004473900000000, -0.0008781400000000 ] - [ -0.0003570800000000, -0.0005052700000000, -0.0008276200000000 ]- atom: 27 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ -0.0069018100000000, 0.0000000000000000, -0.0141651800000000 ] - [ -0.0003784800000000, 0.0000000000000000, -0.0018991400000000 ] - [ -0.0000533100000000, -0.0000032600000000, 0.0001212600000000 ] - [ -0.0000533100000000, 0.0000032600000000, 0.0001212600000000 ] - [ -0.0004705500000000, 0.0000000000000000, -0.0023659400000000 ] - [ -0.0005211800000000, 0.0000000000000000, -0.0016172600000000 ] - [ 0.0004615000000000, -0.0001833100000000, 0.0001781000000000 ] - [ 0.0004615000000000, 0.0001833100000000, 0.0001781000000000 ] - [ -0.0024241100000000, 0.0082468900000000, 0.0060530000000000 ] - [ -0.0024241100000000, -0.0082468900000000, 0.0060530000000000 ] - [ 0.0029547600000000, 0.0058641400000000, -0.0020799000000000 ] - [ 0.0029547600000000, -0.0058641400000000, -0.0020799000000000 ] - [ 0.0000153200000000, 0.0000000000000000, -0.0002834200000000 ] - [ -0.0000871600000000, 0.0000000000000000, -0.0002802800000000 ] - [ 0.0002430700000000, 0.0000000000000000, -0.0001118200000000 ] - [ 0.0001968800000000, 0.0000000000000000, -0.0001129300000000 ] - [ -0.0003460400000000, 0.0000000000000000, 0.0004774700000000 ] - [ -0.0002588400000000, 0.0000000000000000, 0.0006339800000000 ] - [ 0.0000824900000000, -0.0002931700000000, -0.0017582500000000 ] - [ 0.0000824900000000, 0.0002931700000000, -0.0017582500000000 ] - [ 0.0023880000000000, 0.0000000000000000, -0.0252358600000000 ] - [ 0.0003704600000000, 0.0000000000000000, -0.0017373000000000 ] - [ 0.0002125800000000, 0.0000265600000000, -0.0008439000000000 ] - [ 0.0002125800000000, -0.0000265600000000, -0.0008439000000000 ] - [ 0.0001574700000000, 0.0000001200000000, -0.0008223400000000 ] - [ 0.0001574700000000, -0.0000001200000000, -0.0008223400000000 ] - [ -0.0009869400000000, 0.0000000000000000, 0.0446464200000000 ] - [ 0.0003973400000000, 0.0000000000000000, 0.0019014600000000 ] - [ -0.0069905200000000, -0.0050381200000000, 0.0026139900000000 ] - [ -0.0069905200000000, 0.0050381200000000, 0.0026139900000000 ] - [ -0.0004033400000000, 0.0000000000000000, 0.0011706800000000 ] - [ -0.0004216100000000, 0.0000000000000000, 0.0008613700000000 ] - [ 0.0070285900000000, -0.0080812300000000, 0.0006221200000000 ] - [ 0.0070285900000000, 0.0080812300000000, 0.0006221200000000 ] - [ 0.0035219300000000, 0.0000000000000000, 0.0018175500000000 ] - [ 0.0003269600000000, 0.0000000000000000, -0.0000366400000000 ] - [ -0.0006319200000000, -0.0000383300000000, 0.0001369900000000 ] - [ -0.0006319200000000, 0.0000383300000000, 0.0001369900000000 ] - [ 0.0005159800000000, 0.0000000000000000, -0.0001625100000000 ] - [ 0.0005097900000000, 0.0000000000000000, -0.0001622000000000 ] - [ 0.0004453300000000, 0.0000000000000000, 0.0005467100000000 ] - [ 0.0004277300000000, 0.0000000000000000, 0.0003815800000000 ] - [ 0.0013095700000000, 0.0000000000000000, -0.0027048300000000 ] - [ 0.0004110900000000, 0.0000000000000000, -0.0013612300000000 ] - [ 0.0003703400000000, -0.0000947500000000, 0.0000137400000000 ] - [ 0.0003703400000000, 0.0000947500000000, 0.0000137400000000 ] - [ -0.0000694500000000, -0.0003499500000000, 0.0000939800000000 ] - [ -0.0000694500000000, 0.0003499500000000, 0.0000939800000000 ] - [ 0.0006307800000000, -0.0006217700000000, -0.0003356900000000 ] - [ 0.0006378800000000, -0.0006158200000000, -0.0003279700000000 ] - [ -0.0008903100000000, -0.0021563400000000, -0.0022122400000000 ] - [ -0.0015628200000000, 0.0003112700000000, -0.0041608600000000 ] - [ -0.0009694600000000, -0.0007520300000000, -0.0058980600000000 ] - [ -0.0009694600000000, 0.0007520300000000, -0.0058980600000000 ] - [ 0.0004401400000000, -0.0008274800000000, -0.0002671500000000 ] - [ 0.0005661200000000, -0.0012825600000000, -0.0000969100000000 ] - [ -0.0000057100000000, 0.0000000000000000, -0.0009859200000000 ] - [ 0.0000902600000000, 0.0000000000000000, -0.0009155900000000 ] - [ -0.0004276700000000, 0.0000249100000000, 0.0006807100000000 ] - [ -0.0004276700000000, -0.0000249100000000, 0.0006807100000000 ] - [ -0.0020406200000000, -0.0002439900000000, 0.0000401300000000 ] - [ -0.0020406200000000, 0.0002439900000000, 0.0000401300000000 ] - [ -0.0006005000000000, -0.0005767800000000, 0.0002865900000000 ] - [ -0.0006050300000000, -0.0005709100000000, 0.0003139300000000 ] - [ 0.0061547700000000, -0.0024319300000000, 0.0009226800000000 ] - [ -0.0005390000000000, 0.0009490300000000, 0.0011914600000000 ] - [ 0.0000921700000000, -0.0000030200000000, 0.0000206900000000 ] - [ 0.0000921700000000, 0.0000030200000000, 0.0000206900000000 ] - [ -0.0001743800000000, 0.0006369700000000, 0.0005365500000000 ] - [ 0.0011585800000000, 0.0023263800000000, 0.0002281200000000 ] - [ -0.0086551400000000, 0.0000000000000000, 0.0085880500000000 ] - [ -0.0007675000000000, 0.0000000000000000, 0.0023080900000000 ] - [ -0.0015628200000000, -0.0003112700000000, -0.0041608600000000 ] - [ -0.0008903100000000, 0.0021563400000000, -0.0022122400000000 ] - [ 0.0061547700000000, 0.0024319300000000, 0.0009226800000000 ] - [ -0.0005390000000000, -0.0009490300000000, 0.0011914600000000 ] - [ 0.0002940600000000, 0.0003582200000000, 0.0010825200000000 ] - [ 0.0002083300000000, 0.0003123300000000, 0.0010575400000000 ] - [ -0.0001498200000000, 0.0000000000000000, -0.0001445000000000 ] - [ -0.0000754600000000, 0.0000000000000000, 0.0000959000000000 ] - [ -0.0003799500000000, 0.0005482600000000, -0.0008416200000000 ] - [ -0.0003450000000000, 0.0004909700000000, -0.0008921100000000 ] - [ 0.0006307800000000, 0.0006217700000000, -0.0003356900000000 ] - [ 0.0006378800000000, 0.0006158200000000, -0.0003279700000000 ] - [ -0.0006050300000000, 0.0005709100000000, 0.0003139300000000 ] - [ -0.0006005000000000, 0.0005767800000000, 0.0002865900000000 ] - [ -0.0001743800000000, -0.0006369700000000, 0.0005365500000000 ] - [ 0.0011585800000000, -0.0023263800000000, 0.0002281200000000 ] - [ 0.0002083300000000, -0.0003123300000000, 0.0010575400000000 ] - [ 0.0002940600000000, -0.0003582200000000, 0.0010825200000000 ] - [ 0.0005661200000000, 0.0012825600000000, -0.0000969100000000 ] - [ 0.0004401400000000, 0.0008274800000000, -0.0002671500000000 ] - [ 0.0031133200000000, 0.0000000000000000, -0.0003879900000000 ] - [ 0.0006535400000000, 0.0000000000000000, -0.0000729400000000 ] - [ -0.0003799500000000, -0.0005482600000000, -0.0008416200000000 ] - [ -0.0003450000000000, -0.0004909700000000, -0.0008921100000000 ]- atom: 41 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0011611900000000, 0.0000000000000000, 0.0005042300000000 ] - [ -0.0010079400000000, 0.0000000000000000, 0.0004698100000000 ] - [ -0.0004773300000000, -0.0022284700000000, -0.0015717900000000 ] - [ -0.0004773300000000, 0.0022284700000000, -0.0015717900000000 ] - [ -0.0015328700000000, 0.0000000000000000, -0.0011367700000000 ] - [ 0.0012328600000000, 0.0000000000000000, -0.0022984400000000 ] - [ -0.0009339400000000, -0.0000343900000000, -0.0001693400000000 ] - [ -0.0009339400000000, 0.0000343900000000, -0.0001693400000000 ] - [ -0.0007123000000000, 0.0000130300000000, 0.0006453300000000 ] - [ -0.0007123000000000, -0.0000130300000000, 0.0006453300000000 ] - [ -0.0012587300000000, 0.0008455000000000, 0.0002818000000000 ] - [ -0.0012587300000000, -0.0008455000000000, 0.0002818000000000 ] - [ 0.0045215100000000, 0.0000000000000000, -0.0010029100000000 ] - [ 0.0019158000000000, 0.0000000000000000, -0.0001192900000000 ] - [ 0.0006312700000000, 0.0000000000000000, 0.0007974500000000 ] - [ 0.0007437900000000, 0.0000000000000000, 0.0003503400000000 ] - [ -0.0011307600000000, 0.0000000000000000, 0.0013100200000000 ] - [ -0.0009579300000000, 0.0000000000000000, 0.0010522700000000 ] - [ -0.0009592300000000, 0.0030367000000000, -0.0002113800000000 ] - [ -0.0009592300000000, -0.0030367000000000, -0.0002113800000000 ] - [ -0.0012577100000000, 0.0000000000000000, 0.0002246500000000 ] - [ -0.0007585200000000, 0.0000000000000000, 0.0001729600000000 ] - [ 0.0033066600000000, -0.0018170300000000, -0.0022840700000000 ] - [ 0.0033066600000000, 0.0018170300000000, -0.0022840700000000 ] - [ 0.0023695200000000, -0.0020195400000000, 0.0001769000000000 ] - [ 0.0023695200000000, 0.0020195400000000, 0.0001769000000000 ] - [ -0.0017067100000000, 0.0000000000000000, 0.0001706200000000 ] - [ -0.0010846800000000, 0.0000000000000000, 0.0001904100000000 ] - [ -0.0017605000000000, 0.0011785000000000, -0.0005547800000000 ] - [ -0.0017605000000000, -0.0011785000000000, -0.0005547800000000 ] - [ -0.0027063900000000, 0.0000000000000000, 0.0009477000000000 ] - [ -0.0014591000000000, 0.0000000000000000, 0.0007917600000000 ] - [ -0.0012670200000000, 0.0000538800000000, 0.0008802100000000 ] - [ -0.0012670200000000, -0.0000538800000000, 0.0008802100000000 ] - [ -0.0019524500000000, 0.0000000000000000, 0.0002925300000000 ] - [ 0.0007096300000000, 0.0000000000000000, -0.0007590400000000 ] - [ -0.0014494200000000, -0.0008833000000000, 0.0009819200000000 ] - [ -0.0014494200000000, 0.0008833000000000, 0.0009819200000000 ] - [ 0.0029665100000000, 0.0000000000000000, 0.0006646000000000 ] - [ 0.0015235700000000, 0.0000000000000000, -0.0002106200000000 ] - [ -0.0214278900000000, 0.0000000000000000, -0.0067953500000000 ] - [ -0.0012997200000000, 0.0000000000000000, 0.0000946600000000 ] - [ 0.0014523700000000, 0.0000000000000000, -0.0003887500000000 ] - [ 0.0012948600000000, 0.0000000000000000, -0.0003979400000000 ] - [ -0.0017282900000000, -0.0005826000000000, 0.0007513800000000 ] - [ -0.0017282900000000, 0.0005826000000000, 0.0007513800000000 ] - [ 0.0003730900000000, 0.0000758400000000, -0.0003222700000000 ] - [ 0.0003730900000000, -0.0000758400000000, -0.0003222700000000 ] - [ 0.0003467700000000, 0.0004523200000000, -0.0015395500000000 ] - [ 0.0007593900000000, -0.0010079600000000, -0.0004051700000000 ] - [ -0.0003666900000000, -0.0015319300000000, -0.0007235100000000 ] - [ 0.0011894500000000, 0.0002979400000000, 0.0001029200000000 ] - [ 0.0009400900000000, -0.0000604800000000, 0.0001177300000000 ] - [ 0.0009400900000000, 0.0000604800000000, 0.0001177300000000 ] - [ 0.0015324300000000, -0.0023787200000000, 0.0002814900000000 ] - [ 0.0010619600000000, 0.0017413200000000, 0.0000128200000000 ] - [ -0.0019753200000000, 0.0000000000000000, -0.0027317000000000 ] - [ -0.0010987600000000, 0.0000000000000000, -0.0015589100000000 ] - [ 0.0014575700000000, 0.0003352200000000, 0.0018855900000000 ] - [ 0.0014575700000000, -0.0003352200000000, 0.0018855900000000 ] - [ 0.0009042600000000, -0.0006133600000000, -0.0015494700000000 ] - [ 0.0009042600000000, 0.0006133600000000, -0.0015494700000000 ] - [ -0.0004175800000000, 0.0005140500000000, -0.0000685700000000 ] - [ 0.0037302300000000, -0.0049254000000000, 0.0022018600000000 ] - [ 0.0003256400000000, -0.0004753800000000, 0.0009816500000000 ] - [ 0.0002520400000000, -0.0004638100000000, 0.0009579400000000 ] - [ -0.0001668700000000, 0.0030147900000000, 0.0010187600000000 ] - [ -0.0001668700000000, -0.0030147900000000, 0.0010187600000000 ] - [ 0.0016169300000000, 0.0008139200000000, 0.0002616300000000 ] - [ 0.0015315700000000, 0.0005785100000000, 0.0002551900000000 ] - [ 0.0015126100000000, 0.0000000000000000, 0.0004843800000000 ] - [ 0.0012559300000000, 0.0000000000000000, 0.0005126700000000 ] - [ 0.0011894500000000, -0.0002979400000000, 0.0001029200000000 ] - [ -0.0003666900000000, 0.0015319300000000, -0.0007235100000000 ] - [ 0.0003256400000000, 0.0004753800000000, 0.0009816500000000 ] - [ 0.0002520400000000, 0.0004638100000000, 0.0009579400000000 ] - [ 0.0008689500000000, 0.0005234600000000, 0.0007923100000000 ] - [ 0.0008398700000000, 0.0003160100000000, 0.0008621700000000 ] - [ 0.0007349700000000, 0.0000000000000000, -0.0006029200000000 ] - [ 0.0004530700000000, 0.0000000000000000, -0.0001795600000000 ] - [ -0.0015315900000000, -0.0006282200000000, 0.0011999800000000 ] - [ -0.0013403200000000, 0.0010062700000000, -0.0005060300000000 ] - [ 0.0003467700000000, -0.0004523200000000, -0.0015395500000000 ] - [ 0.0007593900000000, 0.0010079600000000, -0.0004051700000000 ] - [ 0.0037302300000000, 0.0049254000000000, 0.0022018600000000 ] - [ -0.0004175800000000, -0.0005140500000000, -0.0000685700000000 ] - [ 0.0016169300000000, -0.0008139200000000, 0.0002616300000000 ] - [ 0.0015315700000000, -0.0005785100000000, 0.0002551900000000 ] - [ 0.0008398700000000, -0.0003160100000000, 0.0008621700000000 ] - [ 0.0008689500000000, -0.0005234600000000, 0.0007923100000000 ] - [ 0.0010619600000000, -0.0017413200000000, 0.0000128200000000 ] - [ 0.0015324300000000, 0.0023787200000000, 0.0002814900000000 ] - [ 0.0036607000000000, 0.0000000000000000, -0.0008880800000000 ] - [ -0.0001647100000000, 0.0000000000000000, 0.0005519100000000 ] - [ -0.0015315900000000, 0.0006282200000000, 0.0011999800000000 ] - [ -0.0013403200000000, -0.0010062700000000, -0.0005060300000000 ]- atom: 41 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0011031300000000, 0.0000000000000000, 0.0000919300000000 ] - [ 0.0009370500000000, 0.0000000000000000, 0.0001261400000000 ] - [ 0.0000949200000000, 0.0022563000000000, 0.0017186700000000 ] - [ 0.0000949200000000, -0.0022563000000000, 0.0017186700000000 ] - [ 0.0011446400000000, 0.0000000000000000, -0.0006790600000000 ] - [ -0.0016430700000000, 0.0000000000000000, 0.0004685600000000 ] - [ 0.0009987800000000, 0.0000346900000000, 0.0007680900000000 ] - [ 0.0009987800000000, -0.0000346900000000, 0.0007680900000000 ] - [ 0.0011316700000000, -0.0000110300000000, 0.0011849500000000 ] - [ 0.0011316700000000, 0.0000110300000000, 0.0011849500000000 ] - [ 0.0008896400000000, -0.0008404700000000, -0.0004163300000000 ] - [ 0.0008896400000000, 0.0008404700000000, -0.0004163300000000 ] - [ -0.0046064700000000, 0.0000000000000000, 0.0003618900000000 ] - [ -0.0019672900000000, 0.0000000000000000, -0.0004877500000000 ] - [ -0.0002866200000000, 0.0000000000000000, -0.0009419500000000 ] - [ -0.0003789900000000, 0.0000000000000000, -0.0004814200000000 ] - [ 0.0007136800000000, 0.0000000000000000, 0.0005204100000000 ] - [ 0.0005366300000000, 0.0000000000000000, 0.0007824300000000 ] - [ 0.0010457200000000, -0.0030195600000000, -0.0003851900000000 ] - [ 0.0010457200000000, 0.0030195600000000, -0.0003851900000000 ] - [ 0.0016305000000000, 0.0000000000000000, -0.0000899400000000 ] - [ 0.0011326000000000, 0.0000000000000000, -0.0000373700000000 ] - [ -0.0029239100000000, 0.0017820500000000, 0.0004331000000000 ] - [ -0.0029239100000000, -0.0017820500000000, 0.0004331000000000 ] - [ -0.0020405300000000, 0.0019870700000000, -0.0017348500000000 ] - [ -0.0020405300000000, -0.0019870700000000, -0.0017348500000000 ] - [ 0.0027106200000000, 0.0000000000000000, 0.0001872800000000 ] - [ 0.0020915500000000, 0.0000000000000000, 0.0001686700000000 ] - [ 0.0007642700000000, -0.0011692000000000, 0.0001903400000000 ] - [ 0.0007642700000000, 0.0011692000000000, 0.0001903400000000 ] - [ 0.0023578500000000, 0.0000000000000000, 0.0006244600000000 ] - [ 0.0010921900000000, 0.0000000000000000, 0.0007800300000000 ] - [ 0.0016323200000000, -0.0000528900000000, 0.0006963500000000 ] - [ 0.0016323200000000, 0.0000528900000000, 0.0006963500000000 ] - [ 0.0016179200000000, 0.0000000000000000, -0.0018853100000000 ] - [ -0.0010628200000000, 0.0000000000000000, -0.0008145400000000 ] - [ 0.0004338100000000, 0.0008960400000000, -0.0006332100000000 ] - [ 0.0004338100000000, -0.0008960400000000, -0.0006332100000000 ] - [ -0.0023870000000000, 0.0000000000000000, -0.0011035300000000 ] - [ -0.0005423200000000, 0.0000000000000000, -0.0001504300000000 ] - [ 0.0227302200000000, 0.0000000000000000, 0.0075667600000000 ] - [ 0.0021659500000000, 0.0000000000000000, 0.0005781600000000 ] - [ -0.0005865200000000, 0.0000000000000000, -0.0002868800000000 ] - [ -0.0004279300000000, 0.0000000000000000, -0.0002778500000000 ] - [ 0.0008481900000000, 0.0005804000000000, -0.0000742300000000 ] - [ 0.0008481900000000, -0.0005804000000000, -0.0000742300000000 ] - [ -0.0012392500000000, -0.0000773600000000, -0.0003523100000000 ] - [ -0.0012392500000000, 0.0000773600000000, -0.0003523100000000 ] - [ 0.0009108700000000, -0.0017517800000000, 0.0008715800000000 ] - [ 0.0005066400000000, -0.0002901200000000, -0.0002767400000000 ] - [ -0.0008858400000000, 0.0002350100000000, 0.0000412000000000 ] - [ -0.0024338200000000, -0.0015826200000000, -0.0007781200000000 ] - [ -0.0007674300000000, 0.0000598600000000, -0.0001431300000000 ] - [ -0.0007674300000000, -0.0000598600000000, -0.0001431300000000 ] - [ -0.0008359300000000, 0.0013796400000000, -0.0019998900000000 ] - [ -0.0003438000000000, -0.0027098400000000, -0.0017035300000000 ] - [ 0.0022164900000000, 0.0000000000000000, 0.0008825400000000 ] - [ 0.0013040100000000, 0.0000000000000000, -0.0002972000000000 ] - [ -0.0016617900000000, -0.0003396100000000, -0.0000376700000000 ] - [ -0.0016617900000000, 0.0003396100000000, -0.0000376700000000 ] - [ -0.0011085300000000, 0.0006056700000000, -0.0003067600000000 ] - [ -0.0011085300000000, -0.0006056700000000, -0.0003067600000000 ] - [ -0.0008221200000000, -0.0018229200000000, 0.0007590500000000 ] - [ -0.0050321300000000, 0.0036967900000000, -0.0015431700000000 ] - [ -0.0010295800000000, -0.0005242500000000, 0.0007363300000000 ] - [ -0.0009504000000000, -0.0005271200000000, 0.0007643100000000 ] - [ 0.0003487500000000, -0.0030334600000000, -0.0010015500000000 ] - [ 0.0003487500000000, 0.0030334600000000, -0.0010015500000000 ] - [ -0.0003703600000000, 0.0004815600000000, 0.0004218100000000 ] - [ -0.0002850500000000, 0.0007143000000000, 0.0004273500000000 ] - [ -0.0013172800000000, 0.0000000000000000, 0.0013854000000000 ] - [ -0.0010562100000000, 0.0000000000000000, 0.0013429400000000 ] - [ -0.0024338200000000, 0.0015826200000000, -0.0007781200000000 ] - [ -0.0008858400000000, -0.0002350100000000, 0.0000412000000000 ] - [ -0.0010295800000000, 0.0005242500000000, 0.0007363300000000 ] - [ -0.0009504000000000, 0.0005271200000000, 0.0007643100000000 ] - [ -0.0001691500000000, 0.0004738500000000, 0.0009267600000000 ] - [ -0.0001402400000000, 0.0006824400000000, 0.0008569400000000 ] - [ -0.0009090800000000, 0.0000000000000000, 0.0005880700000000 ] - [ -0.0006180300000000, 0.0000000000000000, 0.0001541100000000 ] - [ 0.0008446500000000, 0.0016297900000000, -0.0029269200000000 ] - [ 0.0006561600000000, 0.0000098500000000, -0.0012018400000000 ] - [ 0.0009108700000000, 0.0017517800000000, 0.0008715800000000 ] - [ 0.0005066400000000, 0.0002901200000000, -0.0002767400000000 ] - [ -0.0050321300000000, -0.0036967900000000, -0.0015431700000000 ] - [ -0.0008221200000000, 0.0018229200000000, 0.0007590500000000 ] - [ -0.0003703600000000, -0.0004815600000000, 0.0004218100000000 ] - [ -0.0002850500000000, -0.0007143000000000, 0.0004273500000000 ] - [ -0.0001402400000000, -0.0006824400000000, 0.0008569400000000 ] - [ -0.0001691500000000, -0.0004738500000000, 0.0009267600000000 ] - [ -0.0003438000000000, 0.0027098400000000, -0.0017035300000000 ] - [ -0.0008359300000000, -0.0013796400000000, -0.0019998900000000 ] - [ -0.0038160700000000, 0.0000000000000000, 0.0008883900000000 ] - [ -0.0000124500000000, 0.0000000000000000, -0.0005276800000000 ] - [ 0.0008446500000000, -0.0016297900000000, -0.0029269200000000 ] - [ 0.0006561600000000, -0.0000098500000000, -0.0012018400000000 ]- atom: 41 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0000359900000000, 0.0000733400000000, 0.0002968400000000 ] - [ -0.0000316800000000, -0.0000733000000000, 0.0002962300000000 ] - [ -0.0007425300000000, 0.0001357500000000, 0.0002256600000000 ] - [ 0.0003693400000000, 0.0001563000000000, -0.0001064900000000 ] - [ -0.0001918000000000, 0.0023495600000000, -0.0009231800000000 ] - [ -0.0002071900000000, -0.0035789800000000, -0.0009250800000000 ] - [ -0.0000127800000000, -0.0000050400000000, 0.0002436400000000 ] - [ 0.0000622100000000, -0.0000032700000000, 0.0003444900000000 ] - [ 0.0002263900000000, -0.0000006300000000, 0.0009183300000000 ] - [ 0.0001956500000000, 0.0000015100000000, 0.0009130200000000 ] - [ 0.0009804700000000, 0.0000354800000000, -0.0006306900000000 ] - [ -0.0013678700000000, 0.0000445300000000, 0.0005074600000000 ] - [ -0.0000355300000000, 0.0039000700000000, -0.0003079900000000 ] - [ -0.0000271600000000, -0.0043418300000000, -0.0002887600000000 ] - [ 0.0001827800000000, 0.0015402100000000, -0.0000643800000000 ] - [ 0.0001940400000000, -0.0023119700000000, -0.0000632700000000 ] - [ -0.0002100500000000, 0.0001263000000000, 0.0009155600000000 ] - [ -0.0002124200000000, -0.0001167800000000, 0.0009151400000000 ] - [ 0.0048489500000000, 0.0004379200000000, -0.0003723200000000 ] - [ -0.0048018600000000, 0.0005162900000000, -0.0001966300000000 ] - [ 0.0001912800000000, 0.0002408400000000, 0.0000627300000000 ] - [ 0.0001879800000000, -0.0002855800000000, 0.0000626100000000 ] - [ -0.0037632800000000, -0.0014220100000000, -0.0040725600000000 ] - [ 0.0042288000000000, -0.0013447700000000, 0.0022340600000000 ] - [ -0.0034802900000000, -0.0023785900000000, 0.0007547900000000 ] - [ 0.0038589700000000, -0.0023243700000000, -0.0022989700000000 ] - [ 0.0005085400000000, 0.0002589900000000, 0.0001853800000000 ] - [ 0.0005065800000000, -0.0002869100000000, 0.0001862000000000 ] - [ 0.0000854900000000, 0.0000700400000000, 0.0001646700000000 ] - [ -0.0011055100000000, 0.0000837200000000, -0.0005390500000000 ] - [ -0.0001893200000000, 0.0000624200000000, 0.0007834300000000 ] - [ -0.0001831800000000, -0.0001600900000000, 0.0007840600000000 ] - [ 0.0002308900000000, 0.0000038600000000, 0.0007925100000000 ] - [ 0.0001384000000000, 0.0000047200000000, 0.0007736400000000 ] - [ -0.0001695000000000, 0.0013918200000000, -0.0007894200000000 ] - [ -0.0001899600000000, -0.0010194900000000, -0.0007826400000000 ] - [ -0.0011809100000000, 0.0001196200000000, 0.0000950900000000 ] - [ 0.0001698200000000, 0.0001352300000000, 0.0002813900000000 ] - [ 0.0004841900000000, 0.0035249000000000, -0.0001858200000000 ] - [ 0.0005174200000000, -0.0030241700000000, -0.0001875200000000 ] - [ 0.0004526800000000, -0.0118076000000000, 0.0003551600000000 ] - [ 0.0004310300000000, 0.0021901900000000, 0.0003375700000000 ] - [ 0.0004327700000000, -0.0000238900000000, -0.0003367200000000 ] - [ 0.0004323100000000, 0.0000227000000000, -0.0003363200000000 ] - [ -0.0010107600000000, -0.0002070400000000, 0.0003360600000000 ] - [ 0.0001522600000000, -0.0002215800000000, 0.0003361200000000 ] - [ -0.0003563400000000, 0.0000042700000000, -0.0003222700000000 ] - [ -0.0005092400000000, 0.0000039300000000, -0.0003512600000000 ] - [ 0.0016800900000000, -0.0017298800000000, -0.0006396800000000 ] - [ -0.0017332100000000, 0.0015679800000000, -0.0000536000000000 ] - [ -0.0006382700000000, -0.0001690200000000, -0.0000824200000000 ] - [ -0.0007376400000000, -0.0012933300000000, -0.0006444300000000 ] - [ 0.0000468100000000, 0.0000012500000000, 0.0000015800000000 ] - [ 0.0001123200000000, 0.0000000000000000, -0.0000271700000000 ] - [ -0.0021275900000000, 0.0027529800000000, -0.0026790200000000 ] - [ 0.0009744300000000, -0.0019919500000000, 0.0006192000000000 ] - [ 0.0001012700000000, -0.0010678200000000, -0.0009243300000000 ] - [ 0.0000865200000000, 0.0017279900000000, -0.0009191200000000 ] - [ 0.0000739600000000, -0.0000122100000000, 0.0008716900000000 ] - [ -0.0002477000000000, -0.0000152600000000, 0.0009693400000000 ] - [ -0.0021924800000000, -0.0000634100000000, 0.0000611800000000 ] - [ 0.0020322600000000, -0.0000720400000000, -0.0019104100000000 ] - [ -0.0005860200000000, -0.0003840700000000, 0.0002858000000000 ] - [ -0.0003416300000000, -0.0011070000000000, 0.0005270000000000 ] - [ -0.0003835400000000, -0.0005558600000000, 0.0008515100000000 ] - [ -0.0003156300000000, -0.0004395400000000, 0.0008711200000000 ] - [ 0.0033317000000000, 0.0031683100000000, 0.0005501000000000 ] - [ -0.0032252900000000, 0.0032009200000000, -0.0005284200000000 ] - [ 0.0007458900000000, 0.0004512200000000, 0.0002474000000000 ] - [ 0.0004816700000000, 0.0008464400000000, 0.0004397200000000 ] - [ 0.0000883200000000, -0.0000390300000000, 0.0009182500000000 ] - [ 0.0000881900000000, 0.0000352500000000, 0.0009199600000000 ] - [ -0.0005154800000000, 0.0000131400000000, -0.0000399700000000 ] - [ -0.0006000100000000, 0.0011174200000000, -0.0005944400000000 ] - [ -0.0003143200000000, 0.0004384100000000, 0.0008694800000000 ] - [ -0.0003834400000000, 0.0005586100000000, 0.0008481300000000 ] - [ 0.0003975500000000, 0.0004189300000000, 0.0008716200000000 ] - [ 0.0003038000000000, 0.0005704700000000, 0.0008470900000000 ] - [ -0.0000806100000000, -0.0001609700000000, -0.0000125000000000 ] - [ -0.0000797800000000, 0.0001724400000000, -0.0000146800000000 ] - [ -0.0012176200000000, -0.0014742900000000, -0.0034867800000000 ] - [ 0.0016718200000000, 0.0050826900000000, 0.0017374300000000 ] - [ -0.0004405500000000, -0.0004565400000000, -0.0000442700000000 ] - [ 0.0029538000000000, 0.0028563200000000, -0.0006276400000000 ] - [ -0.0008767300000000, 0.0002149500000000, 0.0001633500000000 ] - [ -0.0006650600000000, 0.0008965700000000, 0.0003873100000000 ] - [ 0.0004959600000000, -0.0008387200000000, 0.0004314600000000 ] - [ 0.0007614300000000, -0.0004447000000000, 0.0002376600000000 ] - [ 0.0003939600000000, -0.0004220700000000, 0.0008745700000000 ] - [ 0.0003000100000000, -0.0005794700000000, 0.0008483600000000 ] - [ -0.0002740800000000, -0.0009654300000000, -0.0023300100000000 ] - [ 0.0028604300000000, 0.0037725300000000, 0.0009749300000000 ] - [ -0.0000948700000000, -0.0003059700000000, 0.0000186700000000 ] - [ -0.0000771900000000, 0.0005351700000000, 0.0000177500000000 ] - [ 0.0005121700000000, -0.0024295000000000, 0.0017589400000000 ] - [ -0.0023996800000000, 0.0041214600000000, -0.0034821800000000 ]- atom: 41 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ -0.0001314100000000, 0.0000000000000000, 0.0003689200000000 ] - [ -0.0001011800000000, 0.0000000000000000, 0.0003459000000000 ] - [ -0.0004140400000000, -0.0002965300000000, -0.0000294900000000 ] - [ -0.0004140400000000, 0.0002965300000000, -0.0000294900000000 ] - [ -0.0041406600000000, 0.0000000000000000, 0.0013919800000000 ] - [ 0.0001832900000000, 0.0000000000000000, -0.0015756400000000 ] - [ -0.0000497600000000, -0.0000250500000000, 0.0001454700000000 ] - [ -0.0000497600000000, 0.0000250500000000, 0.0001454700000000 ] - [ 0.0001414600000000, -0.0000106200000000, 0.0009268400000000 ] - [ 0.0001414600000000, 0.0000106200000000, 0.0009268400000000 ] - [ -0.0005092700000000, -0.0003290100000000, 0.0003470800000000 ] - [ -0.0005092700000000, 0.0003290100000000, 0.0003470800000000 ] - [ -0.0031100900000000, 0.0000000000000000, -0.0064214100000000 ] - [ 0.0009448800000000, 0.0000000000000000, -0.0022673500000000 ] - [ -0.0003935500000000, 0.0000000000000000, -0.0009286600000000 ] - [ -0.0001502900000000, 0.0000000000000000, -0.0010834400000000 ] - [ -0.0002609000000000, 0.0000000000000000, 0.0009067800000000 ] - [ -0.0002385500000000, 0.0000000000000000, 0.0008388100000000 ] - [ -0.0006213000000000, 0.0002905600000000, 0.0009103300000000 ] - [ -0.0006213000000000, -0.0002905600000000, 0.0009103300000000 ] - [ -0.0000916100000000, 0.0000000000000000, 0.0001285800000000 ] - [ 0.0000541000000000, 0.0000000000000000, 0.0000653100000000 ] - [ -0.0022402600000000, -0.0021995900000000, -0.0000902700000000 ] - [ -0.0022402600000000, 0.0021995900000000, -0.0000902700000000 ] - [ 0.0030265300000000, 0.0021221300000000, -0.0001382900000000 ] - [ 0.0030265300000000, -0.0021221300000000, -0.0001382900000000 ] - [ 0.0004412200000000, 0.0000000000000000, -0.0000242700000000 ] - [ 0.0004131600000000, 0.0000000000000000, 0.0001426300000000 ] - [ -0.0007270100000000, 0.0003638000000000, -0.0006140200000000 ] - [ -0.0007270100000000, -0.0003638000000000, -0.0006140200000000 ] - [ -0.0005021300000000, 0.0000000000000000, 0.0008679800000000 ] - [ -0.0003367700000000, 0.0000000000000000, 0.0008682700000000 ] - [ 0.0000333000000000, 0.0000124700000000, 0.0007543700000000 ] - [ 0.0000333000000000, -0.0000124700000000, 0.0007543700000000 ] - [ 0.0022799400000000, 0.0000000000000000, -0.0023571000000000 ] - [ 0.0000753400000000, 0.0000000000000000, -0.0008689700000000 ] - [ -0.0002356400000000, -0.0002320300000000, 0.0005094000000000 ] - [ -0.0002356400000000, 0.0002320300000000, 0.0005094000000000 ] - [ 0.0012014600000000, 0.0000000000000000, 0.0021848100000000 ] - [ 0.0001757200000000, 0.0000000000000000, 0.0008374700000000 ] - [ -0.0067592400000000, 0.0000000000000000, -0.0129998200000000 ] - [ 0.0001939400000000, 0.0000000000000000, -0.0004895400000000 ] - [ 0.0004860700000000, 0.0000000000000000, -0.0003280400000000 ] - [ 0.0004959900000000, 0.0000000000000000, -0.0003268300000000 ] - [ -0.0008478800000000, -0.0000025400000000, 0.0009160700000000 ] - [ -0.0008478800000000, 0.0000025400000000, 0.0009160700000000 ] - [ -0.0004198900000000, 0.0000143800000000, -0.0003519500000000 ] - [ -0.0004198900000000, -0.0000143800000000, -0.0003519500000000 ] - [ -0.0001900900000000, -0.0002943800000000, -0.0003644200000000 ] - [ -0.0009629700000000, 0.0002991400000000, -0.0004358700000000 ] - [ -0.0005891300000000, -0.0006362900000000, -0.0002497500000000 ] - [ -0.0015692300000000, -0.0016110200000000, -0.0005713100000000 ] - [ 0.0000984700000000, 0.0000186900000000, 0.0000147200000000 ] - [ 0.0000984700000000, -0.0000186900000000, 0.0000147200000000 ] - [ 0.0009236200000000, -0.0011762600000000, -0.0004218600000000 ] - [ 0.0007691500000000, 0.0005993700000000, -0.0013077500000000 ] - [ 0.0027023300000000, 0.0000000000000000, 0.0041704300000000 ] - [ 0.0006385500000000, 0.0000000000000000, 0.0003334700000000 ] - [ 0.0002270200000000, 0.0000518100000000, 0.0010651200000000 ] - [ 0.0002270200000000, -0.0000518100000000, 0.0010651200000000 ] - [ 0.0004453800000000, 0.0001644500000000, -0.0017364200000000 ] - [ 0.0004453800000000, -0.0001644500000000, -0.0017364200000000 ] - [ -0.0005127500000000, -0.0005037600000000, 0.0001805400000000 ] - [ -0.0000830500000000, -0.0011753700000000, 0.0006134300000000 ] - [ -0.0002990600000000, -0.0005072500000000, 0.0008514000000000 ] - [ -0.0003015200000000, -0.0005159700000000, 0.0008501700000000 ] - [ 0.0011176100000000, 0.0001578900000000, -0.0018442200000000 ] - [ 0.0011176100000000, -0.0001578900000000, -0.0018442200000000 ] - [ 0.0008091200000000, 0.0007180300000000, 0.0003642700000000 ] - [ 0.0007401700000000, 0.0006311500000000, 0.0003383500000000 ] - [ 0.0002990800000000, 0.0000000000000000, 0.0008533100000000 ] - [ 0.0002371800000000, 0.0000000000000000, 0.0008697300000000 ] - [ -0.0015692300000000, 0.0016110200000000, -0.0005713100000000 ] - [ -0.0005891300000000, 0.0006362900000000, -0.0002497500000000 ] - [ -0.0002990600000000, 0.0005072500000000, 0.0008514000000000 ] - [ -0.0003015200000000, 0.0005159700000000, 0.0008501700000000 ] - [ 0.0003825500000000, 0.0004854100000000, 0.0008955900000000 ] - [ 0.0003701800000000, 0.0004221000000000, 0.0009128400000000 ] - [ -0.0000774200000000, 0.0000000000000000, -0.0001064800000000 ] - [ -0.0002079100000000, 0.0000000000000000, -0.0000598800000000 ] - [ 0.0013064700000000, -0.0010011900000000, 0.0017498400000000 ] - [ 0.0008542300000000, 0.0024528600000000, 0.0003891500000000 ] - [ -0.0001900900000000, 0.0002943800000000, -0.0003644200000000 ] - [ -0.0009629700000000, -0.0002991400000000, -0.0004358700000000 ] - [ -0.0000830500000000, 0.0011753700000000, 0.0006134300000000 ] - [ -0.0005127500000000, 0.0005037600000000, 0.0001805400000000 ] - [ 0.0008091200000000, -0.0007180300000000, 0.0003642700000000 ] - [ 0.0007401700000000, -0.0006311500000000, 0.0003383500000000 ] - [ 0.0003701800000000, -0.0004221000000000, 0.0009128400000000 ] - [ 0.0003825500000000, -0.0004854100000000, 0.0008955900000000 ] - [ 0.0007691500000000, -0.0005993700000000, -0.0013077500000000 ] - [ 0.0009236200000000, 0.0011762600000000, -0.0004218600000000 ] - [ 0.0044236600000000, 0.0000000000000000, 0.0051832300000000 ] - [ -0.0000889600000000, 0.0000000000000000, 0.0003211500000000 ] - [ 0.0013064700000000, 0.0010011900000000, 0.0017498400000000 ] - [ 0.0008542300000000, -0.0024528600000000, 0.0003891500000000 ]- atom: 41 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0000817300000000, 0.0000000000000000, 0.0002196400000000 ] - [ 0.0000633600000000, 0.0000000000000000, 0.0002426500000000 ] - [ 0.0000349000000000, 0.0002869700000000, 0.0001504800000000 ] - [ 0.0000349000000000, -0.0002869700000000, 0.0001504800000000 ] - [ 0.0037334700000000, 0.0000000000000000, -0.0031112100000000 ] - [ -0.0006126300000000, 0.0000000000000000, -0.0002447900000000 ] - [ 0.0001114800000000, 0.0000251100000000, 0.0004450200000000 ] - [ 0.0001114800000000, -0.0000251100000000, 0.0004450200000000 ] - [ 0.0002776300000000, 0.0000100900000000, 0.0009078800000000 ] - [ 0.0002776300000000, -0.0000100900000000, 0.0009078800000000 ] - [ 0.0001343600000000, 0.0003333800000000, -0.0004829000000000 ] - [ 0.0001343600000000, -0.0003333800000000, -0.0004829000000000 ] - [ 0.0031077300000000, 0.0000000000000000, 0.0058125700000000 ] - [ -0.0010096700000000, 0.0000000000000000, 0.0016735000000000 ] - [ 0.0008004900000000, 0.0000000000000000, 0.0008132900000000 ] - [ 0.0005313600000000, 0.0000000000000000, 0.0009528000000000 ] - [ -0.0001542000000000, 0.0000000000000000, 0.0009359000000000 ] - [ -0.0001806400000000, 0.0000000000000000, 0.0010010800000000 ] - [ 0.0007164000000000, -0.0002989900000000, -0.0015028700000000 ] - [ 0.0007164000000000, 0.0002989900000000, -0.0015028700000000 ] - [ 0.0004686000000000, 0.0000000000000000, 0.0000040100000000 ] - [ 0.0003296000000000, 0.0000000000000000, 0.0000700600000000 ] - [ 0.0026623000000000, 0.0021902800000000, -0.0017834800000000 ] - [ 0.0026623000000000, -0.0021902800000000, -0.0017834800000000 ] - [ -0.0026501500000000, -0.0021427800000000, -0.0013938500000000 ] - [ -0.0026501500000000, 0.0021427800000000, -0.0013938500000000 ] - [ 0.0005712000000000, 0.0000000000000000, 0.0003940600000000 ] - [ 0.0006032600000000, 0.0000000000000000, 0.0002288000000000 ] - [ -0.0002939000000000, -0.0003540700000000, 0.0002469500000000 ] - [ -0.0002939000000000, 0.0003540700000000, 0.0002469500000000 ] - [ 0.0001154700000000, 0.0000000000000000, 0.0007001600000000 ] - [ -0.0000456300000000, 0.0000000000000000, 0.0006997000000000 ] - [ 0.0003419200000000, -0.0000114000000000, 0.0008118400000000 ] - [ 0.0003419200000000, 0.0000114000000000, 0.0008118400000000 ] - [ -0.0026396000000000, 0.0000000000000000, 0.0007472900000000 ] - [ -0.0004574300000000, 0.0000000000000000, -0.0006987100000000 ] - [ -0.0007796300000000, 0.0002307900000000, -0.0001316400000000 ] - [ -0.0007796300000000, -0.0002307900000000, -0.0001316400000000 ] - [ -0.0002224900000000, 0.0000000000000000, -0.0025530600000000 ] - [ 0.0008426600000000, 0.0000000000000000, -0.0012074700000000 ] - [ 0.0076018900000000, 0.0000000000000000, 0.0136635700000000 ] - [ 0.0006764200000000, 0.0000000000000000, 0.0011654300000000 ] - [ 0.0003830700000000, 0.0000000000000000, -0.0003470900000000 ] - [ 0.0003737900000000, 0.0000000000000000, -0.0003483800000000 ] - [ -0.0000216500000000, -0.0000026100000000, -0.0002422000000000 ] - [ -0.0000216500000000, 0.0000026100000000, -0.0002422000000000 ] - [ -0.0004489600000000, -0.0000141800000000, -0.0003236900000000 ] - [ -0.0004489600000000, 0.0000141800000000, -0.0003236900000000 ] - [ 0.0014273400000000, -0.0010091700000000, -0.0003302800000000 ] - [ 0.0021971600000000, -0.0015894300000000, -0.0002469000000000 ] - [ -0.0006560500000000, -0.0006583600000000, -0.0004305100000000 ] - [ 0.0003336100000000, 0.0003305300000000, -0.0001033000000000 ] - [ 0.0000619900000000, -0.0000186500000000, -0.0000454400000000 ] - [ 0.0000619900000000, 0.0000186500000000, -0.0000454400000000 ] - [ -0.0002400500000000, 0.0001914200000000, -0.0013052100000000 ] - [ -0.0000779200000000, -0.0015794300000000, -0.0004336800000000 ] - [ -0.0026027300000000, 0.0000000000000000, -0.0060101900000000 ] - [ -0.0004574100000000, 0.0000000000000000, -0.0021731400000000 ] - [ -0.0004052600000000, -0.0000509500000000, 0.0007799200000000 ] - [ -0.0004052600000000, 0.0000509500000000, 0.0007799200000000 ] - [ -0.0006374700000000, -0.0001659700000000, -0.0001015700000000 ] - [ -0.0006374700000000, 0.0001659700000000, -0.0001015700000000 ] - [ -0.0007321600000000, -0.0007847600000000, 0.0004971800000000 ] - [ -0.0011425000000000, -0.0001380700000000, 0.0000750100000000 ] - [ -0.0003970000000000, -0.0004853500000000, 0.0008689200000000 ] - [ -0.0003968000000000, -0.0004797500000000, 0.0008686800000000 ] - [ -0.0009528600000000, -0.0001323200000000, 0.0018855800000000 ] - [ -0.0009528600000000, 0.0001323200000000, 0.0018855800000000 ] - [ 0.0004385200000000, 0.0005773100000000, 0.0003170400000000 ] - [ 0.0005051900000000, 0.0006606700000000, 0.0003412700000000 ] - [ -0.0001123300000000, 0.0000000000000000, 0.0009866600000000 ] - [ -0.0000568300000000, 0.0000000000000000, 0.0009748700000000 ] - [ 0.0003336100000000, -0.0003305300000000, -0.0001033000000000 ] - [ -0.0006560500000000, 0.0006583600000000, -0.0004305100000000 ] - [ -0.0003970000000000, 0.0004853500000000, 0.0008689200000000 ] - [ -0.0003968000000000, 0.0004797500000000, 0.0008686800000000 ] - [ 0.0003134600000000, 0.0005094100000000, 0.0008237800000000 ] - [ 0.0003258100000000, 0.0005711700000000, 0.0008083700000000 ] - [ -0.0000833400000000, 0.0000000000000000, 0.0000737300000000 ] - [ 0.0000470700000000, 0.0000000000000000, 0.0000301100000000 ] - [ -0.0020434900000000, 0.0020447500000000, -0.0034962500000000 ] - [ -0.0015558800000000, -0.0014612100000000, -0.0021087500000000 ] - [ 0.0014273400000000, 0.0010091700000000, -0.0003302800000000 ] - [ 0.0021971600000000, 0.0015894300000000, -0.0002469000000000 ] - [ -0.0011425000000000, 0.0001380700000000, 0.0000750100000000 ] - [ -0.0007321600000000, 0.0007847600000000, 0.0004971800000000 ] - [ 0.0004385200000000, -0.0005773100000000, 0.0003170400000000 ] - [ 0.0005051900000000, -0.0006606700000000, 0.0003412700000000 ] - [ 0.0003258100000000, -0.0005711700000000, 0.0008083700000000 ] - [ 0.0003134600000000, -0.0005094100000000, 0.0008237800000000 ] - [ -0.0000779200000000, 0.0015794300000000, -0.0004336800000000 ] - [ -0.0002400500000000, -0.0001914200000000, -0.0013052100000000 ] - [ -0.0045232900000000, 0.0000000000000000, -0.0051303600000000 ] - [ -0.0000736300000000, 0.0000000000000000, -0.0002962400000000 ] - [ -0.0020434900000000, -0.0020447500000000, -0.0034962500000000 ] - [ -0.0015558800000000, 0.0014612100000000, -0.0021087500000000 ]- atom: 49 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0012568200000000, 0.0004389900000000, 0.0004631000000000 ] - [ -0.0011754000000000, -0.0004504200000000, 0.0004738200000000 ] - [ 0.0009399400000000, -0.0001506200000000, -0.0001121700000000 ] - [ 0.0003909500000000, 0.0000530000000000, 0.0010165300000000 ] - [ -0.0007203200000000, -0.0009429600000000, -0.0013529100000000 ] - [ -0.0011565700000000, 0.0009216600000000, -0.0013727200000000 ] - [ -0.0012582500000000, -0.0000000800000000, 0.0015780700000000 ] - [ -0.0008273800000000, 0.0003344300000000, 0.0010047100000000 ] - [ -0.0011046600000000, -0.0000349200000000, 0.0003537700000000 ] - [ -0.0004829800000000, 0.0000429700000000, 0.0005905200000000 ] - [ -0.0019222000000000, 0.0000249100000000, 0.0003587400000000 ] - [ -0.0010237200000000, -0.0000258200000000, 0.0000886100000000 ] - [ 0.0014831000000000, 0.0007432700000000, -0.0026574600000000 ] - [ -0.0002195300000000, 0.0010422900000000, -0.0012305100000000 ] - [ 0.0311655600000000, -0.0103413300000000, -0.0163888600000000 ] - [ 0.0027774200000000, 0.0009755900000000, 0.0004377100000000 ] - [ -0.0010042000000000, 0.0011201300000000, 0.0026166700000000 ] - [ -0.0015030600000000, -0.0014535700000000, 0.0025210200000000 ] - [ -0.0026801000000000, 0.0000110500000000, -0.0003900500000000 ] - [ -0.0003054600000000, 0.0001174600000000, -0.0000052900000000 ] - [ -0.0009580900000000, -0.0000341900000000, 0.0003206200000000 ] - [ -0.0009304200000000, 0.0000273800000000, 0.0003040100000000 ] - [ -0.0008385500000000, -0.0004836500000000, 0.0015861500000000 ] - [ 0.0009529500000000, 0.0002588900000000, -0.0010791300000000 ] - [ 0.0282999700000000, -0.0114684300000000, 0.0019089400000000 ] - [ 0.0028347800000000, 0.0007180800000000, -0.0009814400000000 ] - [ -0.0014946200000000, -0.0000267400000000, 0.0001729900000000 ] - [ -0.0014431900000000, 0.0000322200000000, 0.0001659100000000 ] - [ -0.0028703500000000, -0.0000103800000000, -0.0002049000000000 ] - [ -0.0020648200000000, 0.0000193400000000, -0.0002093300000000 ] - [ -0.0004593400000000, 0.0012592700000000, -0.0004219700000000 ] - [ -0.0005278100000000, -0.0014278700000000, -0.0004541500000000 ] - [ -0.0016753400000000, -0.0000335300000000, 0.0011008600000000 ] - [ -0.0010860500000000, 0.0000289100000000, 0.0008411300000000 ] - [ -0.0014960600000000, -0.0005441600000000, -0.0006862000000000 ] - [ -0.0013519300000000, 0.0005183300000000, -0.0007059300000000 ] - [ 0.0107127200000000, 0.0002368500000000, -0.0007810900000000 ] - [ 0.0016212100000000, 0.0006754300000000, -0.0000944500000000 ] - [ 0.0089044900000000, -0.0009426100000000, -0.0009588800000000 ] - [ 0.0048907100000000, 0.0006133700000000, 0.0003458400000000 ] - [ 0.0001553400000000, 0.0010681800000000, -0.0004802700000000 ] - [ 0.0005634300000000, -0.0023559700000000, -0.0012505500000000 ] - [ 0.0014288900000000, -0.0001244000000000, -0.0005220500000000 ] - [ 0.0013432100000000, 0.0001389800000000, -0.0004541000000000 ] - [ 0.0013783700000000, 0.0001132100000000, 0.0012902500000000 ] - [ -0.0001784900000000, 0.0000181100000000, 0.0003029100000000 ] - [ 0.0039339900000000, -0.0002657000000000, 0.0001918800000000 ] - [ -0.0002273200000000, -0.0000380500000000, -0.0002270600000000 ] - [ -0.0703793000000000, 0.0084413200000000, -0.0046318200000000 ] - [ -0.0005500400000000, -0.0017451400000000, -0.0008985800000000 ] - [ 0.0004306300000000, -0.0011052800000000, -0.0006499500000000 ] - [ 0.0004295100000000, -0.0005800600000000, -0.0004234500000000 ] - [ 0.0012083900000000, 0.0000059500000000, 0.0000837900000000 ] - [ 0.0008656500000000, -0.0000087700000000, 0.0001658300000000 ] - [ 0.0014142900000000, -0.0014013600000000, -0.0001849900000000 ] - [ 0.0007804200000000, -0.0001712900000000, -0.0009376000000000 ] - [ 0.0011365800000000, 0.0118636200000000, 0.0170099400000000 ] - [ -0.0020417100000000, -0.0022886600000000, 0.0001030000000000 ] - [ -0.0004493100000000, 0.0000678000000000, 0.0006609400000000 ] - [ -0.0007974100000000, -0.0000220900000000, 0.0004053600000000 ] - [ 0.0028036200000000, -0.0000176700000000, -0.0021261600000000 ] - [ 0.0006765700000000, -0.0000023900000000, -0.0011972100000000 ] - [ -0.0028462500000000, 0.0014729600000000, 0.0036098000000000 ] - [ -0.0028404400000000, 0.0000381900000000, 0.0000723200000000 ] - [ 0.0003505800000000, -0.0006358000000000, 0.0010068700000000 ] - [ 0.0003051400000000, -0.0003319200000000, 0.0010256200000000 ] - [ -0.0007393000000000, -0.0004400000000000, -0.0049055000000000 ] - [ -0.0009408900000000, 0.0001170300000000, 0.0005231000000000 ] - [ 0.0015150600000000, 0.0005551700000000, 0.0002195700000000 ] - [ 0.0018351900000000, 0.0005589500000000, 0.0002052900000000 ] - [ 0.0014513900000000, -0.0000591800000000, 0.0004570300000000 ] - [ 0.0013927800000000, 0.0000595800000000, 0.0004723300000000 ] - [ 0.0004956400000000, 0.0010466100000000, -0.0006356800000000 ] - [ 0.0003383400000000, 0.0006483000000000, -0.0004293600000000 ] - [ 0.0003363600000000, 0.0002733000000000, 0.0010507600000000 ] - [ 0.0003430500000000, 0.0006836200000000, 0.0009859500000000 ] - [ 0.0011433600000000, 0.0006409000000000, 0.0002221500000000 ] - [ 0.0002261000000000, 0.0012597800000000, 0.0002864700000000 ] - [ 0.0039702900000000, -0.0019492000000000, 0.0002786700000000 ] - [ 0.0014037800000000, 0.0044216200000000, -0.0004237200000000 ] - [ -0.0018782900000000, 0.0007891200000000, -0.0003974300000000 ] - [ -0.0007053100000000, -0.0005089100000000, -0.0012845100000000 ] - [ -0.0074052100000000, -0.0005597100000000, 0.0036838100000000 ] - [ -0.0053623600000000, -0.0000243100000000, -0.0004253400000000 ] - [ -0.0020040300000000, -0.0004325200000000, 0.0021972000000000 ] - [ -0.0018817500000000, 0.0004914200000000, -0.0000200700000000 ] - [ 0.0018288400000000, -0.0005359300000000, 0.0001956900000000 ] - [ 0.0015189700000000, -0.0005753500000000, 0.0002262300000000 ] - [ 0.0016175100000000, 0.0002828500000000, -0.0007201400000000 ] - [ 0.0004635800000000, -0.0017134400000000, 0.0003400100000000 ] - [ 0.0015239300000000, 0.0015612000000000, -0.0001017600000000 ] - [ 0.0008317300000000, 0.0000308900000000, -0.0010082600000000 ] - [ 0.0007043300000000, 0.0002201200000000, 0.0001808400000000 ] - [ 0.0008415000000000, -0.0002012700000000, 0.0002682000000000 ] - [ -0.0018854500000000, 0.0005686100000000, -0.0012273700000000 ] - [ -0.0010100800000000, -0.0011855300000000, -0.0003211500000000 ]- atom: 49 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0012056200000000, -0.0004441700000000, 0.0001291900000000 ] - [ 0.0011262100000000, 0.0004552100000000, 0.0001191500000000 ] - [ -0.0013258200000000, 0.0001288200000000, 0.0002499900000000 ] - [ -0.0007884000000000, -0.0000417700000000, -0.0008809300000000 ] - [ 0.0003054700000000, 0.0009356800000000, -0.0004823100000000 ] - [ 0.0007308800000000, -0.0009166800000000, -0.0004623900000000 ] - [ 0.0013235700000000, 0.0000013700000000, -0.0009921200000000 ] - [ 0.0008862400000000, -0.0003276400000000, -0.0004153200000000 ] - [ 0.0015285700000000, 0.0000360200000000, 0.0014825700000000 ] - [ 0.0009021200000000, -0.0000403800000000, 0.0012435200000000 ] - [ 0.0015394400000000, -0.0000207100000000, -0.0004886900000000 ] - [ 0.0006456000000000, 0.0000319900000000, -0.0002195300000000 ] - [ -0.0015038800000000, -0.0007428400000000, 0.0020894300000000 ] - [ 0.0001557300000000, -0.0010323900000000, 0.0006229000000000 ] - [ -0.0306971600000000, 0.0098062700000000, 0.0156680000000000 ] - [ -0.0023944700000000, -0.0009458800000000, -0.0005534700000000 ] - [ 0.0005776400000000, -0.0011359700000000, -0.0008042800000000 ] - [ 0.0010869600000000, 0.0014714700000000, -0.0007020500000000 ] - [ 0.0027274800000000, -0.0000147400000000, -0.0002019700000000 ] - [ 0.0003776300000000, -0.0001143700000000, -0.0005877500000000 ] - [ 0.0013389900000000, 0.0000266700000000, -0.0001870600000000 ] - [ 0.0013125400000000, -0.0000305100000000, -0.0001710700000000 ] - [ 0.0012659800000000, 0.0004598700000000, -0.0033948900000000 ] - [ -0.0005144100000000, -0.0002332100000000, -0.0007496400000000 ] - [ -0.0268625800000000, 0.0105593300000000, -0.0035128300000000 ] - [ -0.0023948200000000, -0.0006676300000000, -0.0005941800000000 ] - [ 0.0025130000000000, 0.0000236600000000, 0.0001968300000000 ] - [ 0.0024604600000000, -0.0000297900000000, 0.0002052400000000 ] - [ 0.0018538900000000, 0.0000102100000000, -0.0001656300000000 ] - [ 0.0010520000000000, -0.0000184300000000, -0.0001623200000000 ] - [ 0.0000772400000000, -0.0012745500000000, 0.0020018000000000 ] - [ 0.0001589500000000, 0.0014483800000000, 0.0020311700000000 ] - [ 0.0020518300000000, 0.0000338100000000, 0.0004645100000000 ] - [ 0.0014589400000000, -0.0000283900000000, 0.0007263400000000 ] - [ 0.0011235600000000, 0.0005396700000000, -0.0008799000000000 ] - [ 0.0009775100000000, -0.0005149000000000, -0.0008598400000000 ] - [ -0.0122301600000000, -0.0005952300000000, 0.0010369200000000 ] - [ -0.0027071100000000, -0.0006357300000000, 0.0004456900000000 ] - [ -0.0079040000000000, 0.0008901300000000, 0.0005802800000000 ] - [ -0.0038761200000000, -0.0005870400000000, -0.0007166700000000 ] - [ 0.0007146000000000, -0.0010522200000000, 0.0011381900000000 ] - [ 0.0003058700000000, 0.0023311200000000, 0.0019098900000000 ] - [ -0.0005646300000000, 0.0001253100000000, -0.0001506400000000 ] - [ -0.0004796600000000, -0.0001408600000000, -0.0002190000000000 ] - [ -0.0022414700000000, -0.0001091300000000, -0.0006124200000000 ] - [ -0.0006943100000000, -0.0000196200000000, 0.0003694000000000 ] - [ -0.0048240400000000, 0.0002695200000000, -0.0008667700000000 ] - [ -0.0006280000000000, 0.0000401900000000, -0.0004451900000000 ] - [ 0.0709433400000000, -0.0078270900000000, 0.0044608100000000 ] - [ 0.0017966600000000, 0.0004153300000000, 0.0002090000000000 ] - [ -0.0016732800000000, -0.0001874300000000, -0.0000302000000000 ] - [ -0.0016743200000000, -0.0007107500000000, -0.0002563600000000 ] - [ -0.0010532000000000, -0.0000055800000000, -0.0001105400000000 ] - [ -0.0007073500000000, 0.0000087500000000, -0.0001926600000000 ] - [ -0.0007147300000000, 0.0004011500000000, -0.0015305700000000 ] - [ -0.0000844300000000, -0.0008232300000000, -0.0007815000000000 ] - [ -0.0008069800000000, -0.0116835800000000, -0.0186686500000000 ] - [ 0.0022128600000000, 0.0022641100000000, -0.0019259000000000 ] - [ 0.0002770900000000, -0.0000666800000000, 0.0011777400000000 ] - [ 0.0006346400000000, 0.0000195200000000, 0.0014367000000000 ] - [ -0.0029708100000000, 0.0000186300000000, 0.0002807600000000 ] - [ -0.0008584300000000, 0.0000027500000000, -0.0006394300000000 ] - [ 0.0016177000000000, -0.0027807000000000, -0.0029783000000000 ] - [ 0.0016236500000000, -0.0013335400000000, 0.0006012700000000 ] - [ -0.0010488400000000, -0.0003555700000000, 0.0007157300000000 ] - [ -0.0010071600000000, -0.0006689200000000, 0.0006942800000000 ] - [ 0.0008943700000000, 0.0004396900000000, 0.0049003700000000 ] - [ 0.0010877400000000, -0.0001307600000000, -0.0004862900000000 ] - [ -0.0002732000000000, 0.0007378400000000, 0.0004606800000000 ] - [ -0.0005941400000000, 0.0007310200000000, 0.0004738800000000 ] - [ -0.0012746600000000, 0.0000595600000000, 0.0013788300000000 ] - [ -0.0012210300000000, -0.0000613500000000, 0.0013706900000000 ] - [ -0.0017388200000000, 0.0002474800000000, -0.0000423900000000 ] - [ -0.0015819600000000, 0.0006413700000000, -0.0002467700000000 ] - [ -0.0010348100000000, 0.0007225500000000, 0.0006681900000000 ] - [ -0.0010460700000000, 0.0003135600000000, 0.0007302400000000 ] - [ -0.0004537500000000, 0.0003553600000000, 0.0015065800000000 ] - [ 0.0004780800000000, -0.0002773500000000, 0.0014367200000000 ] - [ -0.0041990700000000, 0.0019938500000000, -0.0003201300000000 ] - [ -0.0015721800000000, -0.0044747000000000, 0.0003984800000000 ] - [ 0.0011392400000000, 0.0001906000000000, -0.0013137200000000 ] - [ 0.0000057600000000, 0.0015050300000000, -0.0004381500000000 ] - [ 0.0086226100000000, 0.0015708500000000, -0.0042430300000000 ] - [ 0.0065867700000000, 0.0013230500000000, -0.0002331600000000 ] - [ 0.0007665500000000, 0.0017431200000000, -0.0015495400000000 ] - [ 0.0006443600000000, 0.0007820100000000, 0.0006965200000000 ] - [ -0.0005878200000000, -0.0007542900000000, 0.0004810700000000 ] - [ -0.0002776400000000, -0.0007179900000000, 0.0004511100000000 ] - [ -0.0009257200000000, -0.0012828100000000, 0.0024517200000000 ] - [ 0.0002551400000000, 0.0007219000000000, 0.0013867600000000 ] - [ -0.0008240300000000, -0.0005563800000000, -0.0016153000000000 ] - [ -0.0001345200000000, 0.0009597100000000, -0.0007163200000000 ] - [ -0.0008654000000000, -0.0002183700000000, -0.0001560300000000 ] - [ -0.0009987800000000, 0.0001997800000000, -0.0002412400000000 ] - [ 0.0011560100000000, -0.0015339300000000, -0.0004948300000000 ] - [ 0.0003071000000000, 0.0001724800000000, -0.0013892800000000 ]- atom: 49 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0000899800000000, 0.0006412800000000, 0.0003019500000000 ] - [ -0.0002860200000000, -0.0006502100000000, 0.0002574400000000 ] - [ -0.0000932500000000, 0.0017012800000000, -0.0005915200000000 ] - [ 0.0012113600000000, -0.0018852800000000, -0.0003311100000000 ] - [ -0.0012084600000000, 0.0011297600000000, -0.0005505900000000 ] - [ 0.0000244600000000, -0.0011158600000000, -0.0006891000000000 ] - [ -0.0002892600000000, 0.0012035900000000, 0.0009656900000000 ] - [ 0.0003667600000000, -0.0009844900000000, 0.0004739100000000 ] - [ -0.0002953800000000, 0.0001096500000000, 0.0005596300000000 ] - [ 0.0004824600000000, -0.0001041600000000, 0.0008604500000000 ] - [ 0.0004233200000000, 0.0002744900000000, -0.0003592100000000 ] - [ -0.0005337400000000, -0.0002703800000000, -0.0000159500000000 ] - [ -0.0016837800000000, 0.0026746400000000, -0.0065698200000000 ] - [ -0.0000046600000000, -0.0017320700000000, 0.0012987600000000 ] - [ -0.0110913200000000, 0.0889847700000000, 0.0767539500000000 ] - [ 0.0002203000000000, -0.0069707100000000, 0.0026052500000000 ] - [ 0.0004325200000000, 0.0019538500000000, 0.0003390700000000 ] - [ -0.0007405500000000, -0.0020384500000000, 0.0019949000000000 ] - [ 0.0018854300000000, 0.0004651800000000, 0.0000535000000000 ] - [ -0.0008627000000000, -0.0005770600000000, -0.0004146200000000 ] - [ 0.0000874700000000, 0.0002625500000000, 0.0001124600000000 ] - [ 0.0000948400000000, -0.0002681600000000, 0.0001471200000000 ] - [ 0.0012923800000000, 0.0042113800000000, -0.0050626500000000 ] - [ -0.0011378800000000, -0.0041278500000000, -0.0014338000000000 ] - [ -0.0094503500000000, 0.0114011600000000, -0.0019471700000000 ] - [ -0.0057408100000000, -0.0068310500000000, 0.0006819000000000 ] - [ 0.0003334900000000, 0.0002999100000000, 0.0001605000000000 ] - [ 0.0003697600000000, -0.0003048300000000, 0.0001561100000000 ] - [ -0.0002655100000000, 0.0001960200000000, -0.0001077100000000 ] - [ -0.0010839300000000, -0.0002059100000000, -0.0001147800000000 ] - [ 0.0008045200000000, 0.0017925700000000, 0.0009080800000000 ] - [ -0.0001991400000000, -0.0018574700000000, 0.0000038500000000 ] - [ -0.0002650600000000, 0.0000979200000000, 0.0010646100000000 ] - [ 0.0003867700000000, -0.0000992500000000, 0.0007099700000000 ] - [ -0.0015526400000000, 0.0006765900000000, -0.0005462200000000 ] - [ -0.0001404200000000, -0.0006524300000000, -0.0008955400000000 ] - [ -0.0013728100000000, 0.0043006600000000, -0.0007702300000000 ] - [ 0.0055206300000000, -0.0052697800000000, 0.0016877000000000 ] - [ 0.0014346400000000, 0.0081129200000000, -0.0001556500000000 ] - [ 0.0006824200000000, -0.0036736000000000, -0.0018498900000000 ] - [ 0.0015268500000000, -0.0010936300000000, 0.0006939700000000 ] - [ 0.0000715600000000, 0.0022129800000000, 0.0012820200000000 ] - [ 0.0002665600000000, -0.0001943100000000, -0.0002664000000000 ] - [ 0.0005008200000000, 0.0002007800000000, -0.0003513500000000 ] - [ -0.0013722200000000, -0.0006395800000000, -0.0006327800000000 ] - [ 0.0004520600000000, 0.0004737500000000, 0.0003493200000000 ] - [ 0.0038727400000000, -0.0004455000000000, 0.0001818600000000 ] - [ -0.0016038200000000, 0.0002555200000000, -0.0004772800000000 ] - [ 0.0085713200000000, -0.1638200300000000, -0.0857079700000000 ] - [ -0.0004611000000000, 0.0072386200000000, 0.0014897400000000 ] - [ -0.0006856500000000, -0.0004468500000000, -0.0002166600000000 ] - [ -0.0001613000000000, -0.0004470300000000, -0.0003370000000000 ] - [ 0.0003997200000000, -0.0000466300000000, -0.0000391000000000 ] - [ 0.0000281500000000, 0.0000470600000000, 0.0000405800000000 ] - [ -0.0001519100000000, 0.0003150800000000, -0.0014496900000000 ] - [ 0.0006877400000000, -0.0006329400000000, -0.0007434900000000 ] - [ 0.0168109400000000, 0.0004973400000000, 0.0094824100000000 ] - [ -0.0005535600000000, 0.0022036900000000, -0.0021844800000000 ] - [ -0.0001188600000000, -0.0003123800000000, 0.0008278300000000 ] - [ -0.0011890600000000, 0.0003487400000000, 0.0006743900000000 ] - [ -0.0018077700000000, -0.0001422500000000, -0.0000736000000000 ] - [ 0.0006200400000000, 0.0001579600000000, -0.0011462500000000 ] - [ -0.0013075400000000, 0.0001456900000000, 0.0029840800000000 ] - [ -0.0027363500000000, 0.0001339400000000, 0.0002060800000000 ] - [ -0.0003132800000000, -0.0008659700000000, 0.0008739100000000 ] - [ -0.0002561500000000, -0.0001497200000000, 0.0009864900000000 ] - [ -0.0031776000000000, 0.0001563900000000, 0.0077126200000000 ] - [ 0.0004039500000000, 0.0016280700000000, -0.0007506400000000 ] - [ 0.0007120000000000, 0.0004192400000000, 0.0002288400000000 ] - [ 0.0007079400000000, 0.0008387700000000, 0.0004097300000000 ] - [ 0.0001306500000000, -0.0001250100000000, 0.0008754300000000 ] - [ 0.0002536800000000, 0.0001238100000000, 0.0008440700000000 ] - [ -0.0002202400000000, -0.0001621800000000, -0.0000784800000000 ] - [ -0.0006171800000000, 0.0010526200000000, -0.0004812100000000 ] - [ -0.0002704100000000, 0.0002724000000000, 0.0009467400000000 ] - [ -0.0002849500000000, 0.0007355500000000, 0.0009156000000000 ] - [ 0.0005577600000000, -0.0016192800000000, 0.0007140400000000 ] - [ -0.0001061800000000, 0.0020422900000000, 0.0004111500000000 ] - [ -0.0029606100000000, -0.0011451500000000, -0.0004612000000000 ] - [ 0.0008380600000000, 0.0040275000000000, -0.0000775300000000 ] - [ 0.0024683300000000, 0.0040263000000000, 0.0004565100000000 ] - [ -0.0009854600000000, 0.0009372300000000, -0.0004980700000000 ] - [ 0.0016782700000000, 0.0390898900000000, -0.0049333000000000 ] - [ 0.0012963200000000, 0.0171709700000000, -0.0027100800000000 ] - [ -0.0017046800000000, -0.0026407500000000, 0.0022115500000000 ] - [ -0.0007658500000000, 0.0027131000000000, 0.0006669300000000 ] - [ 0.0007297100000000, -0.0009300000000000, 0.0004163900000000 ] - [ 0.0006930400000000, -0.0003254900000000, 0.0002168100000000 ] - [ 0.0016163700000000, 0.0001152100000000, -0.0004975300000000 ] - [ -0.0010372700000000, -0.0003400900000000, 0.0008661500000000 ] - [ -0.0001469000000000, -0.0010405700000000, -0.0017234800000000 ] - [ 0.0005497300000000, 0.0013393800000000, -0.0004882400000000 ] - [ 0.0003142200000000, -0.0002761300000000, -0.0001824900000000 ] - [ -0.0001840600000000, 0.0002580300000000, -0.0000756200000000 ] - [ 0.0011826700000000, -0.0063166800000000, 0.0008159700000000 ] - [ -0.0004271400000000, 0.0021090600000000, -0.0018884700000000 ]- atom: 49 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0000411100000000, -0.0006426000000000, 0.0002873700000000 ] - [ 0.0002324900000000, 0.0006503300000000, 0.0003342100000000 ] - [ -0.0002841500000000, -0.0017202900000000, 0.0007144500000000 ] - [ -0.0015924000000000, 0.0018942200000000, 0.0004588000000000 ] - [ 0.0007873300000000, -0.0011316000000000, -0.0012808600000000 ] - [ -0.0004504900000000, 0.0011147600000000, -0.0011436300000000 ] - [ 0.0003514000000000, -0.0012075500000000, -0.0003749700000000 ] - [ -0.0003052300000000, 0.0009912500000000, 0.0001168000000000 ] - [ 0.0007157500000000, -0.0001075800000000, 0.0012739600000000 ] - [ -0.0000607300000000, 0.0001058800000000, 0.0009727300000000 ] - [ -0.0008060900000000, -0.0002699100000000, 0.0002291600000000 ] - [ 0.0001511300000000, 0.0002756200000000, -0.0001131400000000 ] - [ 0.0016674300000000, -0.0026876200000000, 0.0059807600000000 ] - [ -0.0000594100000000, 0.0017337800000000, -0.0018957400000000 ] - [ 0.0113057500000000, -0.0856117400000000, -0.0729823000000000 ] - [ 0.0001505000000000, 0.0069780100000000, -0.0027523500000000 ] - [ -0.0008625900000000, -0.0019536300000000, 0.0014945000000000 ] - [ 0.0003149700000000, 0.0020398800000000, -0.0001611700000000 ] - [ -0.0018304200000000, -0.0004681400000000, -0.0006450100000000 ] - [ 0.0009245400000000, 0.0005787900000000, -0.0001769600000000 ] - [ 0.0002912400000000, -0.0002681100000000, 0.0000175300000000 ] - [ 0.0002839100000000, 0.0002631200000000, -0.0000181100000000 ] - [ -0.0008606400000000, -0.0042225900000000, 0.0032259000000000 ] - [ 0.0015662900000000, 0.0041459600000000, -0.0003943200000000 ] - [ 0.0103985600000000, -0.0117473700000000, 0.0003359800000000 ] - [ 0.0060763800000000, 0.0068309700000000, -0.0022351700000000 ] - [ 0.0006802700000000, -0.0003015700000000, 0.0002101700000000 ] - [ 0.0006445600000000, 0.0003058100000000, 0.0002155100000000 ] - [ -0.0007540800000000, -0.0001953700000000, -0.0002621000000000 ] - [ 0.0000633300000000, 0.0002050600000000, -0.0002565300000000 ] - [ -0.0011878500000000, -0.0017922100000000, 0.0006622800000000 ] - [ -0.0001744900000000, 0.0018568200000000, 0.0015649600000000 ] - [ 0.0006357100000000, -0.0000975500000000, 0.0005026900000000 ] - [ -0.0000169500000000, 0.0000997500000000, 0.0008559200000000 ] - [ 0.0011776600000000, -0.0006777700000000, -0.0010219300000000 ] - [ -0.0002328100000000, 0.0006531700000000, -0.0006704300000000 ] - [ 0.0001597700000000, -0.0044564000000000, 0.0010738100000000 ] - [ -0.0065028800000000, 0.0052718600000000, -0.0013064100000000 ] - [ -0.0004061900000000, -0.0080266800000000, -0.0003648900000000 ] - [ 0.0003354500000000, 0.0036774800000000, 0.0014975700000000 ] - [ -0.0006736900000000, 0.0010929300000000, -0.0000212000000000 ] - [ 0.0007917400000000, -0.0022106400000000, -0.0006071200000000 ] - [ 0.0006003500000000, 0.0001935600000000, -0.0004073900000000 ] - [ 0.0003656100000000, -0.0002005900000000, -0.0003218500000000 ] - [ 0.0005077300000000, 0.0006410300000000, 0.0013074000000000 ] - [ -0.0013162100000000, -0.0004750400000000, 0.0003258900000000 ] - [ -0.0047495900000000, 0.0004471600000000, -0.0008566800000000 ] - [ 0.0007312400000000, -0.0002572100000000, -0.0001963800000000 ] - [ -0.0077013700000000, 0.1590357100000000, 0.0811553500000000 ] - [ 0.0017003300000000, -0.0085367500000000, -0.0021724600000000 ] - [ -0.0005547300000000, -0.0008447800000000, -0.0004623200000000 ] - [ -0.0010794500000000, -0.0008450200000000, -0.0003429700000000 ] - [ -0.0002415700000000, 0.0000470000000000, 0.0000122800000000 ] - [ 0.0001301600000000, -0.0000472200000000, -0.0000672300000000 ] - [ 0.0008515500000000, -0.0013125900000000, -0.0002681900000000 ] - [ 0.0000120300000000, -0.0003642700000000, -0.0009743000000000 ] - [ -0.0165402400000000, -0.0004804800000000, -0.0112126300000000 ] - [ 0.0007391400000000, -0.0021953500000000, 0.0003519500000000 ] - [ -0.0000524900000000, 0.0003141000000000, 0.0010105500000000 ] - [ 0.0010171900000000, -0.0003518900000000, 0.0011637400000000 ] - [ 0.0016403300000000, 0.0001426000000000, -0.0017679300000000 ] - [ -0.0007907800000000, -0.0001574000000000, -0.0006921600000000 ] - [ 0.0000637300000000, -0.0014311600000000, -0.0022985100000000 ] - [ 0.0015160100000000, -0.0014432500000000, 0.0004702600000000 ] - [ -0.0003875300000000, -0.0001326300000000, 0.0008468300000000 ] - [ -0.0004406900000000, -0.0008438900000000, 0.0007368400000000 ] - [ 0.0033663200000000, -0.0001637600000000, -0.0077214400000000 ] - [ -0.0002496200000000, -0.0016443100000000, 0.0007624000000000 ] - [ 0.0005310600000000, 0.0008710000000000, 0.0004501600000000 ] - [ 0.0005353000000000, 0.0004531900000000, 0.0002696900000000 ] - [ 0.0000433900000000, 0.0001241600000000, 0.0009668600000000 ] - [ -0.0000765700000000, -0.0001249100000000, 0.0009891500000000 ] - [ -0.0010197800000000, 0.0014537300000000, -0.0005985500000000 ] - [ -0.0006234700000000, 0.0002388600000000, -0.0001948100000000 ] - [ -0.0004305200000000, 0.0007256200000000, 0.0007706400000000 ] - [ -0.0004123700000000, 0.0002583400000000, 0.0008033200000000 ] - [ 0.0001436600000000, 0.0026249900000000, 0.0010077500000000 ] - [ 0.0008029400000000, -0.0010486400000000, 0.0013113100000000 ] - [ 0.0028114900000000, 0.0011429900000000, 0.0004326600000000 ] - [ -0.0009912200000000, -0.0040127200000000, 0.0000474300000000 ] - [ -0.0031941100000000, -0.0030435700000000, -0.0021754500000000 ] - [ 0.0002896300000000, 0.0000595200000000, -0.0012260700000000 ] - [ -0.0004518100000000, -0.0369270700000000, 0.0043913400000000 ] - [ -0.0000503000000000, -0.0162165900000000, 0.0020275300000000 ] - [ 0.0004711100000000, 0.0039550600000000, -0.0015199400000000 ] - [ -0.0004762300000000, -0.0014266300000000, 0.0000049800000000 ] - [ 0.0005134600000000, -0.0003609300000000, 0.0002598900000000 ] - [ 0.0005499500000000, -0.0009659200000000, 0.0004592600000000 ] - [ -0.0009170500000000, -0.0011090400000000, 0.0022220000000000 ] - [ 0.0017420800000000, -0.0006647100000000, 0.0008570600000000 ] - [ 0.0008465800000000, 0.0020396200000000, 0.0000033100000000 ] - [ 0.0001492600000000, -0.0003437500000000, -0.0012340400000000 ] - [ -0.0004711600000000, 0.0002759600000000, 0.0002105800000000 ] - [ 0.0000271900000000, -0.0002581700000000, 0.0001031500000000 ] - [ -0.0018965900000000, 0.0053304100000000, -0.0025330600000000 ] - [ -0.0002695200000000, -0.0031128900000000, 0.0001720600000000 ]- atom: 49 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ -0.0002497400000000, 0.0002550900000000, 0.0003071800000000 ] - [ -0.0002405600000000, -0.0002732600000000, 0.0002915600000000 ] - [ 0.0004762400000000, -0.0017994900000000, -0.0023236900000000 ] - [ 0.0007110800000000, 0.0009782500000000, -0.0023275600000000 ] - [ -0.0006328100000000, 0.0002848600000000, -0.0006090800000000 ] - [ -0.0002445400000000, -0.0002631500000000, -0.0008724400000000 ] - [ -0.0001986200000000, 0.0011325500000000, 0.0002898600000000 ] - [ 0.0001501000000000, -0.0009066000000000, -0.0000999100000000 ] - [ -0.0001040800000000, 0.0000050700000000, 0.0007140900000000 ] - [ 0.0002563100000000, 0.0000038500000000, 0.0008391700000000 ] - [ -0.0001898600000000, 0.0001162000000000, -0.0001318400000000 ] - [ -0.0003624800000000, -0.0001106800000000, -0.0000711200000000 ] - [ -0.0012040700000000, 0.0008068800000000, -0.0113051300000000 ] - [ 0.0002052400000000, -0.0007275500000000, -0.0000696900000000 ] - [ -0.0161652500000000, 0.0718000000000000, 0.1084340500000000 ] - [ 0.0001647600000000, -0.0011126300000000, 0.0001209500000000 ] - [ 0.0004627000000000, 0.0009126400000000, 0.0019159100000000 ] - [ -0.0005794100000000, -0.0011307900000000, 0.0014970600000000 ] - [ 0.0004331500000000, -0.0000749900000000, -0.0002488800000000 ] - [ -0.0001504600000000, -0.0000373700000000, -0.0002534400000000 ] - [ 0.0000144700000000, 0.0000922700000000, 0.0001101300000000 ] - [ 0.0000411000000000, -0.0000963900000000, 0.0001182600000000 ] - [ 0.0014774700000000, 0.0017505600000000, -0.0040410400000000 ] - [ 0.0006316600000000, -0.0004611300000000, -0.0020152200000000 ] - [ 0.0052268500000000, -0.0019713600000000, 0.0052165200000000 ] - [ -0.0019747300000000, -0.0034992200000000, 0.0010546600000000 ] - [ 0.0002204600000000, 0.0001014800000000, 0.0001792700000000 ] - [ 0.0002720900000000, -0.0001009300000000, 0.0001728900000000 ] - [ -0.0005914500000000, 0.0000424100000000, -0.0001576800000000 ] - [ -0.0008856500000000, -0.0000508200000000, -0.0001299700000000 ] - [ -0.0011514700000000, 0.0006452300000000, 0.0008221000000000 ] - [ -0.0001417900000000, -0.0006776800000000, 0.0003921600000000 ] - [ -0.0001462900000000, 0.0000146600000000, 0.0009253800000000 ] - [ 0.0001613900000000, -0.0000149800000000, 0.0007770900000000 ] - [ -0.0008451400000000, 0.0002126600000000, -0.0008058000000000 ] - [ -0.0002754300000000, -0.0002063800000000, -0.0008192100000000 ] - [ -0.0032200300000000, -0.0017048300000000, 0.0040000300000000 ] - [ 0.0024400200000000, -0.0020136600000000, 0.0020448600000000 ] - [ 0.0008353500000000, 0.0077663700000000, -0.0007880200000000 ] - [ 0.0004674500000000, -0.0011488800000000, -0.0000838900000000 ] - [ -0.0007677200000000, -0.0003004300000000, 0.0003238300000000 ] - [ 0.0003634700000000, 0.0002957200000000, 0.0002485900000000 ] - [ 0.0005095800000000, -0.0000930300000000, -0.0003127600000000 ] - [ 0.0005161200000000, 0.0001006300000000, -0.0003367800000000 ] - [ -0.0008715200000000, -0.0003033600000000, 0.0000973900000000 ] - [ -0.0000445000000000, 0.0002586100000000, 0.0004253300000000 ] - [ 0.0014564000000000, -0.0001846100000000, -0.0000654200000000 ] - [ -0.0008427700000000, 0.0000514500000000, -0.0004938800000000 ] - [ -0.0039181200000000, -0.0860756700000000, -0.1049391100000000 ] - [ 0.0000644700000000, 0.0011937500000000, 0.0001261300000000 ] - [ -0.0005375800000000, -0.0006418200000000, -0.0003518000000000 ] - [ -0.0003099700000000, -0.0005206400000000, -0.0003515300000000 ] - [ 0.0003208600000000, -0.0000098500000000, -0.0000006100000000 ] - [ 0.0001414800000000, 0.0000080700000000, 0.0000277100000000 ] - [ 0.0003309400000000, -0.0003506200000000, -0.0009449700000000 ] - [ 0.0005281100000000, -0.0005041900000000, -0.0009149000000000 ] - [ 0.0197959400000000, 0.0047963400000000, 0.0087252000000000 ] - [ 0.0000653000000000, 0.0008286400000000, -0.0009641100000000 ] - [ 0.0002238800000000, 0.0001813500000000, 0.0014107600000000 ] - [ -0.0001058800000000, -0.0000599500000000, 0.0014051800000000 ] - [ -0.0002176100000000, -0.0000329500000000, -0.0008547100000000 ] - [ 0.0001930800000000, 0.0000519900000000, -0.0010123000000000 ] - [ -0.0008920200000000, -0.0005087300000000, 0.0006401100000000 ] - [ 0.0026477300000000, -0.0032745200000000, 0.0006256200000000 ] - [ -0.0002503300000000, -0.0006048300000000, 0.0009091500000000 ] - [ -0.0002541200000000, -0.0003572000000000, 0.0009261200000000 ] - [ -0.0057384400000000, 0.0029092400000000, 0.0057664000000000 ] - [ -0.0011833400000000, -0.0022947000000000, -0.0013063600000000 ] - [ 0.0007409200000000, 0.0005336300000000, 0.0002773700000000 ] - [ 0.0007551900000000, 0.0007143500000000, 0.0003521200000000 ] - [ 0.0003073100000000, -0.0000505000000000, 0.0008187300000000 ] - [ 0.0002751400000000, 0.0000516600000000, 0.0008466100000000 ] - [ -0.0003228200000000, 0.0003829100000000, -0.0003116200000000 ] - [ -0.0005299100000000, 0.0007887500000000, -0.0003886500000000 ] - [ -0.0002333800000000, 0.0003522500000000, 0.0009435200000000 ] - [ -0.0002538800000000, 0.0006021800000000, 0.0008949900000000 ] - [ -0.0003360800000000, -0.0008714600000000, 0.0005263600000000 ] - [ 0.0001625000000000, 0.0012566500000000, 0.0006008600000000 ] - [ 0.0001215900000000, -0.0008537400000000, -0.0016414000000000 ] - [ 0.0003392600000000, 0.0022365100000000, -0.0000103300000000 ] - [ -0.0026398900000000, 0.0014662800000000, 0.0057623700000000 ] - [ -0.0005647500000000, 0.0012932100000000, 0.0000581500000000 ] - [ 0.0046010000000000, 0.0052665600000000, -0.0230720800000000 ] - [ 0.0005291000000000, 0.0030582700000000, -0.0036144800000000 ] - [ 0.0012317700000000, 0.0024945000000000, 0.0036427600000000 ] - [ -0.0009813900000000, 0.0009839500000000, 0.0006823000000000 ] - [ 0.0007625800000000, -0.0007238300000000, 0.0003442100000000 ] - [ 0.0007335800000000, -0.0005216200000000, 0.0002815700000000 ] - [ 0.0013306600000000, 0.0000353300000000, -0.0003081700000000 ] - [ -0.0013340300000000, -0.0000143100000000, 0.0007402400000000 ] - [ 0.0003831200000000, 0.0001748000000000, -0.0011095200000000 ] - [ 0.0003995000000000, 0.0006690700000000, -0.0007906100000000 ] - [ 0.0000924700000000, -0.0000870700000000, 0.0000210000000000 ] - [ -0.0000071800000000, 0.0000781800000000, 0.0000021000000000 ] - [ -0.0015754100000000, -0.0024436000000000, 0.0035733100000000 ] - [ -0.0003044500000000, 0.0000301300000000, -0.0009995200000000 ]- atom: 49 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0001905100000000, -0.0002516300000000, 0.0002837700000000 ] - [ 0.0001821900000000, 0.0002703300000000, 0.0002986300000000 ] - [ -0.0008465200000000, 0.0018298900000000, 0.0024518700000000 ] - [ -0.0010712300000000, -0.0010137100000000, 0.0024547300000000 ] - [ 0.0002033800000000, -0.0002804100000000, -0.0012208600000000 ] - [ -0.0001761100000000, 0.0002551400000000, -0.0009561500000000 ] - [ 0.0002633200000000, -0.0011296500000000, 0.0003098600000000 ] - [ -0.0000817800000000, 0.0009036600000000, 0.0006992200000000 ] - [ 0.0005219300000000, -0.0000032000000000, 0.0011147400000000 ] - [ 0.0001681000000000, -0.0000027200000000, 0.0009910700000000 ] - [ -0.0001838500000000, -0.0001102800000000, 0.0000010900000000 ] - [ -0.0000173200000000, 0.0001145500000000, -0.0000579300000000 ] - [ 0.0011372400000000, -0.0007914300000000, 0.0107269600000000 ] - [ -0.0002753700000000, 0.0007246600000000, -0.0005046300000000 ] - [ 0.0163200100000000, -0.0680842100000000, -0.1059900000000000 ] - [ 0.0002138400000000, 0.0010866000000000, -0.0002124700000000 ] - [ -0.0008829400000000, -0.0009057300000000, -0.0000720500000000 ] - [ 0.0001510900000000, 0.0011285700000000, 0.0003497400000000 ] - [ -0.0003566500000000, 0.0000794700000000, -0.0003392600000000 ] - [ 0.0002152300000000, 0.0000328800000000, -0.0003390100000000 ] - [ 0.0003619300000000, -0.0000962000000000, 0.0000181200000000 ] - [ 0.0003383700000000, 0.0000902200000000, 0.0000139600000000 ] - [ -0.0010566800000000, -0.0017311900000000, 0.0021939000000000 ] - [ -0.0002257100000000, 0.0004216800000000, 0.0001774700000000 ] - [ -0.0049525400000000, 0.0020239900000000, -0.0068770100000000 ] - [ 0.0023624500000000, 0.0034901900000000, -0.0026340600000000 ] - [ 0.0007949700000000, -0.0000992400000000, 0.0001892500000000 ] - [ 0.0007425500000000, 0.0000984600000000, 0.0001971600000000 ] - [ -0.0004238500000000, -0.0000408100000000, -0.0002124500000000 ] - [ -0.0001340600000000, 0.0000493500000000, -0.0002392700000000 ] - [ 0.0008005000000000, -0.0006377700000000, 0.0007333600000000 ] - [ -0.0002261000000000, 0.0006690900000000, 0.0011670400000000 ] - [ 0.0005194100000000, -0.0000136800000000, 0.0006444400000000 ] - [ 0.0002118400000000, 0.0000141900000000, 0.0007914600000000 ] - [ 0.0004597400000000, -0.0002090600000000, -0.0007613800000000 ] - [ -0.0000982800000000, 0.0002025300000000, -0.0007488500000000 ] - [ 0.0022197500000000, 0.0016996900000000, -0.0036770600000000 ] - [ -0.0034614200000000, 0.0020058300000000, -0.0016880700000000 ] - [ 0.0002214200000000, -0.0075959600000000, 0.0000408400000000 ] - [ 0.0005531200000000, 0.0011383400000000, -0.0003054100000000 ] - [ 0.0016481100000000, 0.0002938300000000, 0.0003588300000000 ] - [ 0.0004970700000000, -0.0002804200000000, 0.0004380100000000 ] - [ 0.0003522100000000, 0.0000925800000000, -0.0003606500000000 ] - [ 0.0003465600000000, -0.0001004000000000, -0.0003353200000000 ] - [ 0.0000064100000000, 0.0002999500000000, 0.0005652500000000 ] - [ -0.0008132500000000, -0.0002555000000000, 0.0002450300000000 ] - [ -0.0022910100000000, 0.0001809100000000, -0.0006063600000000 ] - [ -0.0000186800000000, -0.0000491800000000, -0.0001778100000000 ] - [ 0.0051637000000000, 0.0807711900000000, 0.1024358100000000 ] - [ 0.0011728100000000, -0.0024675400000000, -0.0007992700000000 ] - [ -0.0007048100000000, -0.0006458900000000, -0.0003244700000000 ] - [ -0.0009294500000000, -0.0007661000000000, -0.0003258500000000 ] - [ -0.0001600500000000, 0.0000096100000000, -0.0000244300000000 ] - [ 0.0000154500000000, -0.0000077400000000, -0.0000543700000000 ] - [ 0.0003642800000000, -0.0006414000000000, -0.0007783600000000 ] - [ 0.0001721300000000, -0.0004905300000000, -0.0008044000000000 ] - [ -0.0194983500000000, -0.0046813600000000, -0.0105276800000000 ] - [ 0.0000995400000000, -0.0008176000000000, -0.0008904900000000 ] - [ -0.0004075100000000, -0.0001881000000000, 0.0004206600000000 ] - [ -0.0000815700000000, 0.0000616900000000, 0.0004250400000000 ] - [ 0.0000317800000000, 0.0000321000000000, -0.0009765900000000 ] - [ -0.0003643500000000, -0.0000500300000000, -0.0008249600000000 ] - [ -0.0003647100000000, -0.0007745200000000, 0.0000740300000000 ] - [ -0.0039405100000000, 0.0020080000000000, 0.0000583600000000 ] - [ -0.0004486600000000, -0.0003945700000000, 0.0008126000000000 ] - [ -0.0004445300000000, -0.0006367700000000, 0.0007967500000000 ] - [ 0.0059653600000000, -0.0029873700000000, -0.0058247300000000 ] - [ 0.0013572000000000, 0.0023354800000000, 0.0013383500000000 ] - [ 0.0005020100000000, 0.0007556100000000, 0.0004015400000000 ] - [ 0.0004866200000000, 0.0005737400000000, 0.0003241100000000 ] - [ -0.0001334600000000, 0.0000490800000000, 0.0010204300000000 ] - [ -0.0001020200000000, -0.0000517700000000, 0.0009905900000000 ] - [ -0.0009167500000000, 0.0009012400000000, -0.0003616700000000 ] - [ -0.0007117200000000, 0.0005015400000000, -0.0002862000000000 ] - [ -0.0004665200000000, 0.0006435500000000, 0.0007747600000000 ] - [ -0.0004447900000000, 0.0003948800000000, 0.0008238200000000 ] - [ 0.0010298200000000, 0.0018702200000000, 0.0011926300000000 ] - [ 0.0005345100000000, -0.0002530300000000, 0.0011120400000000 ] - [ -0.0002678900000000, 0.0008455300000000, 0.0016186600000000 ] - [ -0.0004853700000000, -0.0022162400000000, -0.0000188000000000 ] - [ 0.0019960700000000, -0.0004358800000000, -0.0075238000000000 ] - [ -0.0001323000000000, -0.0003142200000000, -0.0017919100000000 ] - [ -0.0033248300000000, -0.0040592800000000, 0.0222495300000000 ] - [ 0.0007221800000000, -0.0016798500000000, 0.0029501200000000 ] - [ -0.0025160100000000, -0.0012359800000000, -0.0030034300000000 ] - [ -0.0002653200000000, 0.0003212600000000, 0.0000077200000000 ] - [ 0.0004796300000000, -0.0005681400000000, 0.0003325300000000 ] - [ 0.0005084300000000, -0.0007643100000000, 0.0003911600000000 ] - [ -0.0006331000000000, -0.0010376500000000, 0.0020262600000000 ] - [ 0.0020249100000000, -0.0009851400000000, 0.0009783500000000 ] - [ 0.0003127800000000, 0.0008107900000000, -0.0006187600000000 ] - [ 0.0002992000000000, 0.0003318400000000, -0.0009307800000000 ] - [ -0.0002480700000000, 0.0000856100000000, 0.0000023700000000 ] - [ -0.0001543200000000, -0.0000770000000000, 0.0000195400000000 ] - [ 0.0008931900000000, 0.0014191400000000, -0.0052991200000000 ] - [ -0.0003945600000000, -0.0010083000000000, -0.0007274600000000 ]- atom: 53 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0013796300000000, -0.0065760600000000, -0.0028355500000000 ] - [ -0.0013796300000000, 0.0065760600000000, -0.0028355500000000 ] - [ -0.0015346500000000, 0.0000000000000000, -0.0004992800000000 ] - [ -0.0008204000000000, 0.0000000000000000, 0.0000070900000000 ] - [ -0.0008698800000000, 0.0003821400000000, -0.0010950300000000 ] - [ -0.0008698800000000, -0.0003821400000000, -0.0010950300000000 ] - [ -0.0014537700000000, 0.0000000000000000, 0.0004647200000000 ] - [ -0.0001648300000000, 0.0000000000000000, 0.0000264700000000 ] - [ 0.1326952500000000, 0.0000000000000000, 0.0849055400000000 ] - [ 0.0021018200000000, 0.0000000000000000, 0.0032876700000000 ] - [ -0.0053241900000000, 0.0000000000000000, 0.0033167200000000 ] - [ 0.0001142200000000, 0.0000000000000000, 0.0011476200000000 ] - [ -0.0010230400000000, 0.0000293900000000, -0.0004740400000000 ] - [ -0.0010230400000000, -0.0000293900000000, -0.0004740400000000 ] - [ -0.0007460600000000, -0.0001739600000000, -0.0003208400000000 ] - [ -0.0007460600000000, 0.0001739600000000, -0.0003208400000000 ] - [ -0.0007068000000000, -0.0010674000000000, 0.0008747900000000 ] - [ -0.0007068000000000, 0.0010674000000000, 0.0008747900000000 ] - [ -0.0011522800000000, 0.0000000000000000, 0.0007826800000000 ] - [ -0.0007402500000000, 0.0000000000000000, 0.0000075500000000 ] - [ 0.0034125800000000, 0.0004705600000000, -0.0012145400000000 ] - [ 0.0034125800000000, -0.0004705600000000, -0.0012145400000000 ] - [ -0.0007032000000000, 0.0000000000000000, -0.0006502600000000 ] - [ -0.0005771000000000, 0.0000000000000000, -0.0006673300000000 ] - [ -0.0012518100000000, 0.0000000000000000, -0.0008743900000000 ] - [ -0.0010393100000000, 0.0000000000000000, -0.0008576100000000 ] - [ 0.0030480200000000, 0.0086942600000000, 0.0012685700000000 ] - [ 0.0030480200000000, -0.0086942600000000, 0.0012685700000000 ] - [ -0.0035077400000000, 0.0000000000000000, -0.0033526500000000 ] - [ -0.0001966700000000, 0.0000000000000000, -0.0009156900000000 ] - [ -0.0015461200000000, -0.0010802200000000, 0.0007482800000000 ] - [ -0.0015461200000000, 0.0010802200000000, 0.0007482800000000 ] - [ 0.0172152300000000, 0.0000000000000000, -0.0227885900000000 ] - [ 0.0031725200000000, 0.0000000000000000, 0.0001150500000000 ] - [ -0.0021663100000000, 0.0009765100000000, -0.0011604200000000 ] - [ -0.0021663100000000, -0.0009765100000000, -0.0011604200000000 ] - [ -0.0032832600000000, 0.0000000000000000, 0.0001140300000000 ] - [ -0.0016815300000000, 0.0000000000000000, 0.0001923200000000 ] - [ -0.0011770100000000, -0.0001201600000000, -0.0001708900000000 ] - [ -0.0011770100000000, 0.0001201600000000, -0.0001708900000000 ] - [ 0.0012964000000000, -0.0000316900000000, 0.0003567300000000 ] - [ 0.0012964000000000, 0.0000316900000000, 0.0003567300000000 ] - [ 0.0001863200000000, 0.0032871200000000, -0.0013781500000000 ] - [ 0.0001863200000000, -0.0032871200000000, -0.0013781500000000 ] - [ 0.0003787100000000, 0.0000000000000000, 0.0003349000000000 ] - [ 0.0000946900000000, 0.0000000000000000, 0.0004652200000000 ] - [ 0.0032916000000000, 0.0000000000000000, 0.0041449900000000 ] - [ -0.0005180100000000, 0.0000000000000000, -0.0003466500000000 ] - [ 0.0017511400000000, -0.0003249300000000, -0.0000985300000000 ] - [ 0.0014080900000000, -0.0006967700000000, -0.0002771000000000 ] - [ 0.0034267900000000, 0.0022147200000000, -0.0005355700000000 ] - [ 0.0008735100000000, -0.0015641700000000, -0.0007555000000000 ] - [ -0.1291748200000000, 0.0000000000000000, -0.0792916500000000 ] - [ -0.0033333900000000, 0.0000000000000000, -0.0008791900000000 ] - [ 0.0008702100000000, -0.0000063900000000, -0.0010060200000000 ] - [ 0.0005967300000000, -0.0006001700000000, -0.0007989700000000 ] - [ 0.0013013600000000, 0.0000150200000000, -0.0004704100000000 ] - [ 0.0013013600000000, -0.0000150200000000, -0.0004704100000000 ] - [ 0.0018661700000000, 0.0000000000000000, 0.0009080600000000 ] - [ 0.0004082900000000, 0.0000000000000000, 0.0011261500000000 ] - [ 0.0023506100000000, 0.0000000000000000, -0.0016779500000000 ] - [ 0.0006198400000000, 0.0000000000000000, -0.0016779700000000 ] - [ 0.0001596900000000, -0.0010386200000000, 0.0005104100000000 ] - [ 0.0002962000000000, -0.0005403900000000, 0.0004136300000000 ] - [ -0.0109971800000000, 0.0106408800000000, 0.0047939200000000 ] - [ -0.0020445700000000, -0.0021056900000000, -0.0007156700000000 ] - [ 0.0009196800000000, 0.0000000000000000, -0.0001290100000000 ] - [ 0.0008338000000000, 0.0000000000000000, -0.0001255200000000 ] - [ -0.0003891700000000, 0.0003201700000000, 0.0016130200000000 ] - [ -0.0001871000000000, 0.0039055700000000, 0.0061735400000000 ] - [ -0.0029695100000000, 0.0012444100000000, 0.0028344000000000 ] - [ -0.0029695100000000, -0.0012444100000000, 0.0028344000000000 ] - [ 0.0034267900000000, -0.0022147200000000, -0.0005355700000000 ] - [ 0.0008735100000000, 0.0015641700000000, -0.0007555000000000 ] - [ -0.0020445700000000, 0.0021056900000000, -0.0007156700000000 ] - [ -0.0109971800000000, -0.0106408800000000, 0.0047939200000000 ] - [ 0.0007697700000000, 0.0010515400000000, 0.0009505700000000 ] - [ 0.0007490700000000, 0.0001458000000000, 0.0009623900000000 ] - [ 0.0005420100000000, 0.0003227700000000, -0.0000547900000000 ] - [ 0.0005420100000000, -0.0003227700000000, -0.0000547900000000 ] - [ 0.0002232000000000, 0.0004496600000000, -0.0009723800000000 ] - [ 0.0002701700000000, 0.0004592200000000, -0.0009678400000000 ] - [ 0.0014080900000000, 0.0006967700000000, -0.0002771000000000 ] - [ 0.0017511400000000, 0.0003249300000000, -0.0000985300000000 ] - [ 0.0001596900000000, 0.0010386200000000, 0.0005104100000000 ] - [ 0.0002962000000000, 0.0005403900000000, 0.0004136300000000 ] - [ -0.0001871000000000, -0.0039055700000000, 0.0061735400000000 ] - [ -0.0003891700000000, -0.0003201700000000, 0.0016130200000000 ] - [ 0.0007697700000000, -0.0010515400000000, 0.0009505700000000 ] - [ 0.0007490700000000, -0.0001458000000000, 0.0009623900000000 ] - [ 0.0008702100000000, 0.0000063900000000, -0.0010060200000000 ] - [ 0.0005967300000000, 0.0006001700000000, -0.0007989700000000 ] - [ 0.0002185100000000, -0.0002711900000000, 0.0004954800000000 ] - [ 0.0002185100000000, 0.0002711900000000, 0.0004954800000000 ] - [ 0.0002701700000000, -0.0004592200000000, -0.0009678400000000 ] - [ 0.0002232000000000, -0.0004496600000000, -0.0009723800000000 ]- atom: 53 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0013064900000000, 0.0065713500000000, 0.0034051600000000 ] - [ 0.0013064900000000, -0.0065713500000000, 0.0034051600000000 ] - [ 0.0011566300000000, 0.0000000000000000, 0.0006340700000000 ] - [ 0.0004405400000000, 0.0000000000000000, 0.0001290500000000 ] - [ 0.0004455000000000, -0.0003869000000000, -0.0007368600000000 ] - [ 0.0004455000000000, 0.0003869000000000, -0.0007368600000000 ] - [ 0.0015322600000000, 0.0000000000000000, 0.0001318800000000 ] - [ 0.0002341000000000, 0.0000000000000000, 0.0005697400000000 ] - [ -0.1291818800000000, 0.0000000000000000, -0.0788116500000000 ] - [ -0.0016781100000000, 0.0000000000000000, -0.0014508200000000 ] - [ 0.0049968400000000, 0.0000000000000000, -0.0034656300000000 ] - [ -0.0004979600000000, 0.0000000000000000, -0.0012728300000000 ] - [ 0.0009590600000000, -0.0000300800000000, -0.0001191900000000 ] - [ 0.0009590600000000, 0.0000300800000000, -0.0001191900000000 ] - [ 0.0011321800000000, 0.0001741900000000, 0.0001850000000000 ] - [ 0.0011321800000000, -0.0001741900000000, 0.0001850000000000 ] - [ 0.0002858300000000, 0.0010669500000000, 0.0009568200000000 ] - [ 0.0002858300000000, -0.0010669500000000, 0.0009568200000000 ] - [ 0.0012262000000000, 0.0000000000000000, -0.0013876800000000 ] - [ 0.0008088700000000, 0.0000000000000000, -0.0005994900000000 ] - [ -0.0030446600000000, -0.0004578800000000, 0.0013274000000000 ] - [ -0.0030446600000000, 0.0004578800000000, 0.0013274000000000 ] - [ 0.0011175100000000, 0.0000000000000000, -0.0011914300000000 ] - [ 0.0009924700000000, 0.0000000000000000, -0.0011748900000000 ] - [ 0.0016410200000000, 0.0000000000000000, -0.0006897000000000 ] - [ 0.0014258700000000, 0.0000000000000000, -0.0007069100000000 ] - [ -0.0020918200000000, -0.0086814200000000, -0.0008844500000000 ] - [ -0.0020918200000000, 0.0086814200000000, -0.0008844500000000 ] - [ 0.0024959000000000, 0.0000000000000000, 0.0030104100000000 ] - [ -0.0008284400000000, 0.0000000000000000, 0.0005437800000000 ] - [ 0.0011659800000000, 0.0010797300000000, 0.0008175600000000 ] - [ 0.0011659800000000, -0.0010797300000000, 0.0008175600000000 ] - [ -0.0169824800000000, 0.0000000000000000, 0.0241321200000000 ] - [ -0.0027894800000000, 0.0000000000000000, 0.0014519700000000 ] - [ 0.0017873600000000, -0.0009927500000000, -0.0004010000000000 ] - [ 0.0017873600000000, 0.0009927500000000, -0.0004010000000000 ] - [ 0.0022722200000000, 0.0000000000000000, 0.0002566400000000 ] - [ 0.0006684600000000, 0.0000000000000000, 0.0001768800000000 ] - [ 0.0021995600000000, 0.0001205000000000, -0.0001991400000000 ] - [ 0.0021995600000000, -0.0001205000000000, -0.0001991400000000 ] - [ -0.0004286900000000, 0.0000324600000000, 0.0003200500000000 ] - [ -0.0004286900000000, -0.0000324600000000, 0.0003200500000000 ] - [ 0.0006869900000000, -0.0032712100000000, 0.0006925900000000 ] - [ 0.0006869900000000, 0.0032712100000000, 0.0006925900000000 ] - [ -0.0012505100000000, 0.0000000000000000, 0.0003411900000000 ] - [ -0.0009649700000000, 0.0000000000000000, 0.0002089600000000 ] - [ -0.0041716900000000, 0.0000000000000000, -0.0047994800000000 ] - [ -0.0003531100000000, 0.0000000000000000, -0.0003300600000000 ] - [ -0.0005095000000000, -0.0009673200000000, -0.0005811900000000 ] - [ -0.0001652300000000, -0.0005951600000000, -0.0004028000000000 ] - [ -0.0047418100000000, -0.0035573800000000, -0.0001461000000000 ] - [ -0.0021022400000000, 0.0002657000000000, 0.0000699000000000 ] - [ 0.1268189800000000, 0.0000000000000000, 0.0753006700000000 ] - [ 0.0034961600000000, 0.0000000000000000, 0.0008479500000000 ] - [ -0.0001766700000000, -0.0009920500000000, -0.0007100400000000 ] - [ 0.0001001700000000, -0.0003909900000000, -0.0009210000000000 ] - [ -0.0011216600000000, -0.0000149800000000, -0.0013745200000000 ] - [ -0.0011216600000000, 0.0000149800000000, -0.0013745200000000 ] - [ -0.0020511100000000, 0.0000000000000000, 0.0009328900000000 ] - [ -0.0005948200000000, 0.0000000000000000, 0.0007170200000000 ] - [ -0.0025598200000000, 0.0000000000000000, -0.0001606000000000 ] - [ -0.0007957600000000, 0.0000000000000000, -0.0001684500000000 ] - [ -0.0014082000000000, -0.0002526400000000, 0.0001699200000000 ] - [ -0.0015435800000000, -0.0007510100000000, 0.0002664700000000 ] - [ 0.0101711100000000, -0.0115379300000000, -0.0030717000000000 ] - [ 0.0013513200000000, 0.0011063700000000, 0.0024341500000000 ] - [ -0.0007620400000000, 0.0000000000000000, 0.0001606800000000 ] - [ -0.0006750800000000, 0.0000000000000000, 0.0001561400000000 ] - [ 0.0016403800000000, 0.0009721100000000, -0.0009283700000000 ] - [ 0.0014465900000000, -0.0026378000000000, -0.0055275800000000 ] - [ 0.0031615300000000, -0.0012636900000000, -0.0009758200000000 ] - [ 0.0031615300000000, 0.0012636900000000, -0.0009758200000000 ] - [ -0.0047418100000000, 0.0035573800000000, -0.0001461000000000 ] - [ -0.0021022400000000, -0.0002657000000000, 0.0000699000000000 ] - [ 0.0013513200000000, -0.0011063700000000, 0.0024341500000000 ] - [ 0.0101711100000000, 0.0115379300000000, -0.0030717000000000 ] - [ -0.0000749700000000, -0.0000594600000000, 0.0007717400000000 ] - [ -0.0000558400000000, 0.0008483800000000, 0.0007576000000000 ] - [ -0.0007050200000000, -0.0003233100000000, 0.0000239100000000 ] - [ -0.0007050200000000, 0.0003233100000000, 0.0000239100000000 ] - [ -0.0009202700000000, 0.0005438900000000, -0.0007467000000000 ] - [ -0.0009675800000000, 0.0005332800000000, -0.0007519900000000 ] - [ -0.0001652300000000, 0.0005951600000000, -0.0004028000000000 ] - [ -0.0005095000000000, 0.0009673200000000, -0.0005811900000000 ] - [ -0.0014082000000000, 0.0002526400000000, 0.0001699200000000 ] - [ -0.0015435800000000, 0.0007510100000000, 0.0002664700000000 ] - [ 0.0014465900000000, 0.0026378000000000, -0.0055275800000000 ] - [ 0.0016403800000000, -0.0009721100000000, -0.0009283700000000 ] - [ -0.0000749700000000, 0.0000594600000000, 0.0007717400000000 ] - [ -0.0000558400000000, -0.0008483800000000, 0.0007576000000000 ] - [ -0.0001766700000000, 0.0009920500000000, -0.0007100400000000 ] - [ 0.0001001700000000, 0.0003909900000000, -0.0009210000000000 ] - [ -0.0003757200000000, 0.0002731900000000, -0.0004660600000000 ] - [ -0.0003757200000000, -0.0002731900000000, -0.0004660600000000 ] - [ -0.0009675800000000, -0.0005332800000000, -0.0007519900000000 ] - [ -0.0009202700000000, -0.0005438900000000, -0.0007467000000000 ]- atom: 53 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0015192300000000, -0.0027911900000000, -0.0002297200000000 ] - [ 0.0014743200000000, -0.0028672400000000, 0.0008423600000000 ] - [ -0.0001862900000000, 0.0002539600000000, 0.0000672800000000 ] - [ -0.0001908700000000, -0.0002439700000000, 0.0000637000000000 ] - [ -0.0000454400000000, -0.0000096600000000, -0.0007080200000000 ] - [ -0.0003741600000000, -0.0000165300000000, -0.0011214600000000 ] - [ 0.0000336100000000, 0.0008922800000000, 0.0002960200000000 ] - [ 0.0000203400000000, -0.0010261100000000, 0.0003001500000000 ] - [ -0.0001584100000000, 0.0233938400000000, 0.0006633400000000 ] - [ 0.0002037800000000, -0.0032211200000000, 0.0008944600000000 ] - [ -0.0002061400000000, 0.0030945900000000, -0.0000704800000000 ] - [ -0.0001918700000000, -0.0043956500000000, -0.0000806200000000 ] - [ 0.0000752000000000, 0.0000006500000000, -0.0003131300000000 ] - [ -0.0001288100000000, -0.0000010000000000, -0.0002789500000000 ] - [ 0.0001859500000000, 0.0000040600000000, -0.0000516000000000 ] - [ 0.0002005300000000, 0.0000017800000000, -0.0000745200000000 ] - [ -0.0009349600000000, -0.0000027100000000, 0.0010836900000000 ] - [ 0.0005132500000000, -0.0000207800000000, 0.0007568100000000 ] - [ 0.0000294200000000, 0.0002154200000000, -0.0002951500000000 ] - [ 0.0000324900000000, -0.0001113800000000, -0.0003022200000000 ] - [ 0.0002843100000000, 0.0001014900000000, 0.0001025200000000 ] - [ 0.0000757700000000, 0.0000789800000000, 0.0000385000000000 ] - [ 0.0002081400000000, 0.0000964500000000, -0.0009194500000000 ] - [ 0.0002100200000000, -0.0000969900000000, -0.0009185400000000 ] - [ 0.0001928700000000, 0.0000693200000000, -0.0007836800000000 ] - [ 0.0001917600000000, -0.0000707100000000, -0.0007841300000000 ] - [ 0.0057341600000000, -0.0052758400000000, 0.0009157800000000 ] - [ -0.0047424000000000, -0.0054754200000000, -0.0005438900000000 ] - [ -0.0005109300000000, 0.0019956000000000, -0.0001849700000000 ] - [ -0.0005035600000000, -0.0020484400000000, -0.0001765100000000 ] - [ -0.0008929200000000, 0.0000457300000000, 0.0004963900000000 ] - [ 0.0005259200000000, 0.0000319100000000, 0.0010671700000000 ] - [ 0.0001304000000000, 0.0058596400000000, 0.0008734100000000 ] - [ 0.0001790500000000, -0.0028539100000000, 0.0007938800000000 ] - [ 0.0009784100000000, 0.0002747400000000, -0.0006229000000000 ] - [ -0.0013401500000000, 0.0002584100000000, -0.0009411800000000 ] - [ -0.0004949800000000, 0.0002359200000000, 0.0001863100000000 ] - [ -0.0005051900000000, -0.0002287900000000, 0.0001862600000000 ] - [ 0.0004759700000000, 0.0000009800000000, -0.0001886500000000 ] - [ 0.0005511500000000, -0.0000021200000000, -0.0001825000000000 ] - [ 0.0003715700000000, 0.0000005500000000, 0.0003561300000000 ] - [ 0.0004924500000000, 0.0000008600000000, 0.0003189700000000 ] - [ 0.0034864900000000, 0.0032027600000000, -0.0004838700000000 ] - [ -0.0025637800000000, 0.0031668400000000, -0.0001928500000000 ] - [ -0.0004352100000000, -0.0001611200000000, 0.0003369400000000 ] - [ -0.0004363200000000, 0.0001724200000000, 0.0003373900000000 ] - [ -0.0004557400000000, -0.0003067300000000, -0.0003580800000000 ] - [ -0.0004330700000000, 0.0005355200000000, -0.0003380000000000 ] - [ 0.0006247300000000, -0.0006970200000000, -0.0003530300000000 ] - [ 0.0006113200000000, -0.0005988700000000, -0.0003340100000000 ] - [ 0.0013500700000000, -0.0017846200000000, -0.0011883200000000 ] - [ -0.0051032100000000, 0.0033877700000000, 0.0018947900000000 ] - [ 0.0004814800000000, -0.0402004800000000, 0.0000510600000000 ] - [ 0.0001034800000000, 0.0056960400000000, -0.0000116500000000 ] - [ 0.0004373600000000, -0.0007349700000000, -0.0007927300000000 ] - [ 0.0002777200000000, -0.0002518500000000, -0.0009305000000000 ] - [ 0.0000180100000000, -0.0000000900000000, -0.0009591100000000 ] - [ 0.0001577600000000, 0.0000010000000000, -0.0008848600000000 ] - [ -0.0001018400000000, -0.0001657500000000, 0.0009192500000000 ] - [ -0.0000868500000000, 0.0001753500000000, 0.0009256000000000 ] - [ -0.0000863500000000, -0.0004091400000000, -0.0009169400000000 ] - [ -0.0001009500000000, 0.0007215500000000, -0.0009148300000000 ] - [ -0.0008426400000000, -0.0009222600000000, 0.0004275500000000 ] - [ -0.0004236900000000, -0.0003898000000000, 0.0002623100000000 ] - [ 0.0097673800000000, 0.0030386700000000, 0.0108829400000000 ] - [ -0.0013255300000000, 0.0013593200000000, 0.0007032200000000 ] - [ 0.0000773100000000, -0.0000397000000000, 0.0000158400000000 ] - [ 0.0000762100000000, 0.0000392100000000, 0.0000174500000000 ] - [ 0.0005000300000000, 0.0022822900000000, -0.0019951100000000 ] - [ 0.0010588000000000, 0.0008077400000000, 0.0032767400000000 ] - [ 0.0000236400000000, 0.0004861400000000, 0.0026023300000000 ] - [ 0.0001785300000000, 0.0005020700000000, -0.0007703300000000 ] - [ -0.0025926700000000, -0.0005040500000000, 0.0005125700000000 ] - [ 0.0037936200000000, 0.0046536200000000, -0.0025562600000000 ] - [ 0.0006463900000000, 0.0023267000000000, 0.0010468400000000 ] - [ -0.0104209500000000, 0.0041335100000000, -0.0090413800000000 ] - [ 0.0003449100000000, 0.0000779800000000, 0.0009679200000000 ] - [ 0.0004605200000000, 0.0010345600000000, 0.0007372500000000 ] - [ 0.0002435000000000, 0.0000144200000000, 0.0000701300000000 ] - [ -0.0004017200000000, 0.0000185400000000, -0.0001026900000000 ] - [ -0.0003690400000000, 0.0005635900000000, -0.0008272200000000 ] - [ -0.0003322900000000, 0.0004317500000000, -0.0008934200000000 ] - [ 0.0006288600000000, 0.0006942900000000, -0.0003487400000000 ] - [ 0.0006119900000000, 0.0006026300000000, -0.0003315500000000 ] - [ -0.0004048000000000, 0.0003700200000000, 0.0002551900000000 ] - [ -0.0008251500000000, 0.0009066600000000, 0.0004198200000000 ] - [ 0.0001787500000000, -0.0004871700000000, -0.0026210400000000 ] - [ 0.0007475300000000, 0.0009906200000000, 0.0026333600000000 ] - [ 0.0003477700000000, -0.0009043300000000, 0.0007541400000000 ] - [ 0.0002423800000000, 0.0000284800000000, 0.0009752500000000 ] - [ 0.0002583600000000, 0.0002516600000000, -0.0009326400000000 ] - [ 0.0004198700000000, 0.0007509000000000, -0.0007867000000000 ] - [ -0.0003517600000000, -0.0000120000000000, -0.0002752500000000 ] - [ 0.0001923200000000, -0.0000080200000000, 0.0003026400000000 ] - [ -0.0003671600000000, -0.0005644500000000, -0.0008257100000000 ] - [ -0.0003309100000000, -0.0004298200000000, -0.0008925700000000 ]- atom: 53 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ -0.0038501500000000, -0.0092738400000000, -0.0060134000000000 ] - [ -0.0038501500000000, 0.0092738400000000, -0.0060134000000000 ] - [ -0.0002054000000000, 0.0000000000000000, -0.0000786100000000 ] - [ -0.0002301300000000, 0.0000000000000000, 0.0001609600000000 ] - [ -0.0004419300000000, -0.0000497300000000, -0.0012048900000000 ] - [ -0.0004419300000000, 0.0000497300000000, -0.0012048900000000 ] - [ 0.0011027100000000, 0.0000000000000000, 0.0005598700000000 ] - [ 0.0002004000000000, 0.0000000000000000, 0.0001507100000000 ] - [ 0.0767576100000000, 0.0000000000000000, 0.0837195300000000 ] - [ -0.0001575100000000, 0.0000000000000000, 0.0032114900000000 ] - [ 0.0033923900000000, 0.0000000000000000, 0.0018901300000000 ] - [ -0.0001281300000000, 0.0000000000000000, 0.0000926000000000 ] - [ -0.0002151000000000, 0.0000234300000000, -0.0003099500000000 ] - [ -0.0002151000000000, -0.0000234300000000, -0.0003099500000000 ] - [ 0.0000410200000000, 0.0000356100000000, -0.0001040500000000 ] - [ 0.0000410200000000, -0.0000356100000000, -0.0001040500000000 ] - [ -0.0002076600000000, 0.0000975900000000, 0.0006260400000000 ] - [ -0.0002076600000000, -0.0000975900000000, 0.0006260400000000 ] - [ 0.0000478500000000, 0.0000000000000000, -0.0013414000000000 ] - [ -0.0001417100000000, 0.0000000000000000, -0.0003692700000000 ] - [ 0.0024801200000000, 0.0038499000000000, -0.0021723900000000 ] - [ 0.0024801200000000, -0.0038499000000000, -0.0021723900000000 ] - [ 0.0000763500000000, 0.0000000000000000, -0.0008226000000000 ] - [ 0.0000708300000000, 0.0000000000000000, -0.0008586300000000 ] - [ -0.0000053800000000, 0.0000000000000000, -0.0008297300000000 ] - [ -0.0000489000000000, 0.0000000000000000, -0.0008087600000000 ] - [ 0.0010445500000000, 0.0012486500000000, 0.0060556300000000 ] - [ 0.0010445500000000, -0.0012486500000000, 0.0060556300000000 ] - [ -0.0048477400000000, 0.0000000000000000, 0.0001976200000000 ] - [ -0.0007191700000000, 0.0000000000000000, -0.0001053000000000 ] - [ -0.0009886100000000, 0.0000969700000000, 0.0007445900000000 ] - [ -0.0009886100000000, -0.0000969700000000, 0.0007445900000000 ] - [ -0.0122587100000000, 0.0000000000000000, 0.0323739300000000 ] - [ 0.0012643900000000, 0.0000000000000000, 0.0007530900000000 ] - [ -0.0002812600000000, -0.0002994000000000, -0.0005150300000000 ] - [ -0.0002812600000000, 0.0002994000000000, -0.0005150300000000 ] - [ -0.0006240600000000, 0.0000000000000000, 0.0003119800000000 ] - [ -0.0009504200000000, 0.0000000000000000, 0.0000758700000000 ] - [ 0.0002210200000000, 0.0000348700000000, -0.0001912100000000 ] - [ 0.0002210200000000, -0.0000348700000000, -0.0001912100000000 ] - [ 0.0005660300000000, 0.0000154000000000, 0.0003661400000000 ] - [ 0.0005660300000000, -0.0000154000000000, 0.0003661400000000 ] - [ -0.0005808700000000, -0.0005497300000000, -0.0021923000000000 ] - [ -0.0005808700000000, 0.0005497300000000, -0.0021923000000000 ] - [ 0.0001575700000000, 0.0000000000000000, 0.0002468100000000 ] - [ -0.0002677900000000, 0.0000000000000000, 0.0002930200000000 ] - [ -0.0013254900000000, 0.0000000000000000, 0.0047913000000000 ] - [ 0.0001081700000000, 0.0000000000000000, -0.0000275900000000 ] - [ 0.0007177600000000, -0.0006719700000000, -0.0003280800000000 ] - [ 0.0008013200000000, -0.0005931100000000, -0.0002998600000000 ] - [ -0.0009086600000000, -0.0010908800000000, -0.0019728900000000 ] - [ -0.0001966200000000, -0.0007165700000000, -0.0003414700000000 ] - [ -0.0798136400000000, 0.0000000000000000, -0.1734201600000000 ] - [ -0.0007971600000000, 0.0000000000000000, -0.0006956700000000 ] - [ 0.0005693100000000, -0.0007624600000000, -0.0003891200000000 ] - [ 0.0004835700000000, -0.0005510600000000, -0.0008010700000000 ] - [ 0.0002733200000000, -0.0000064400000000, -0.0008544700000000 ] - [ 0.0002733200000000, 0.0000064400000000, -0.0008544700000000 ] - [ -0.0003816500000000, 0.0000000000000000, 0.0004687100000000 ] - [ -0.0001009500000000, 0.0000000000000000, 0.0008645100000000 ] - [ -0.0019323300000000, 0.0000000000000000, -0.0009622100000000 ] - [ 0.0000090500000000, 0.0000000000000000, -0.0009713700000000 ] - [ -0.0004525000000000, -0.0004498800000000, 0.0003497100000000 ] - [ -0.0003662200000000, -0.0005570100000000, 0.0003318200000000 ] - [ 0.0095469400000000, 0.0232662000000000, 0.0220909100000000 ] - [ -0.0011159900000000, -0.0023103700000000, -0.0002279100000000 ] - [ 0.0002255200000000, 0.0000000000000000, 0.0000027700000000 ] - [ 0.0002178600000000, 0.0000000000000000, -0.0000076100000000 ] - [ 0.0001167500000000, -0.0001017200000000, -0.0009608800000000 ] - [ 0.0054879000000000, 0.0083212900000000, 0.0060833300000000 ] - [ -0.0027014600000000, -0.0009354100000000, 0.0074154000000000 ] - [ -0.0027014600000000, 0.0009354100000000, 0.0074154000000000 ] - [ -0.0009086600000000, 0.0010908800000000, -0.0019728900000000 ] - [ -0.0001966200000000, 0.0007165700000000, -0.0003414700000000 ] - [ -0.0011159900000000, 0.0023103700000000, -0.0002279100000000 ] - [ 0.0095469400000000, -0.0232662000000000, 0.0220909100000000 ] - [ 0.0004391300000000, 0.0003931400000000, 0.0011777000000000 ] - [ 0.0003157100000000, 0.0004699900000000, 0.0009536600000000 ] - [ -0.0000393500000000, -0.0000856900000000, 0.0000593200000000 ] - [ -0.0000393500000000, 0.0000856900000000, 0.0000593200000000 ] - [ -0.0002457900000000, 0.0004819000000000, -0.0008845100000000 ] - [ -0.0002594600000000, 0.0004869000000000, -0.0008965000000000 ] - [ 0.0008013200000000, 0.0005931100000000, -0.0002998600000000 ] - [ 0.0007177600000000, 0.0006719700000000, -0.0003280800000000 ] - [ -0.0004525000000000, 0.0004498800000000, 0.0003497100000000 ] - [ -0.0003662200000000, 0.0005570100000000, 0.0003318200000000 ] - [ 0.0054879000000000, -0.0083212900000000, 0.0060833300000000 ] - [ 0.0001167500000000, 0.0001017200000000, -0.0009608800000000 ] - [ 0.0004391300000000, -0.0003931400000000, 0.0011777000000000 ] - [ 0.0003157100000000, -0.0004699900000000, 0.0009536600000000 ] - [ 0.0005693100000000, 0.0007624600000000, -0.0003891200000000 ] - [ 0.0004835700000000, 0.0005510600000000, -0.0008010700000000 ] - [ 0.0003999300000000, -0.0002870600000000, -0.0000272400000000 ] - [ 0.0003999300000000, 0.0002870600000000, -0.0000272400000000 ] - [ -0.0002594600000000, -0.0004869000000000, -0.0008965000000000 ] - [ -0.0002457900000000, -0.0004819000000000, -0.0008845100000000 ]- atom: 53 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0037526200000000, 0.0092789100000000, 0.0066529400000000 ] - [ 0.0037526200000000, -0.0092789100000000, 0.0066529400000000 ] - [ -0.0001723100000000, 0.0000000000000000, 0.0002101200000000 ] - [ -0.0001472600000000, 0.0000000000000000, -0.0000302800000000 ] - [ 0.0000228700000000, 0.0000460800000000, -0.0006259200000000 ] - [ 0.0000228700000000, -0.0000460800000000, -0.0006259200000000 ] - [ -0.0010469800000000, 0.0000000000000000, 0.0000306200000000 ] - [ -0.0001367600000000, 0.0000000000000000, 0.0004400000000000 ] - [ -0.0722066600000000, 0.0000000000000000, -0.0785399200000000 ] - [ 0.0005807500000000, 0.0000000000000000, -0.0013352800000000 ] - [ -0.0037719100000000, 0.0000000000000000, -0.0019758300000000 ] - [ -0.0002464300000000, 0.0000000000000000, -0.0001995200000000 ] - [ 0.0001509500000000, -0.0000237800000000, -0.0002824100000000 ] - [ 0.0001509500000000, 0.0000237800000000, -0.0002824100000000 ] - [ 0.0003388600000000, -0.0000355300000000, -0.0000260300000000 ] - [ 0.0003388600000000, 0.0000355300000000, -0.0000260300000000 ] - [ -0.0002192700000000, -0.0000936900000000, 0.0012010000000000 ] - [ -0.0002192700000000, 0.0000936900000000, 0.0012010000000000 ] - [ 0.0000186500000000, 0.0000000000000000, 0.0007509500000000 ] - [ 0.0002024000000000, 0.0000000000000000, -0.0002157300000000 ] - [ -0.0020987900000000, -0.0038832200000000, 0.0022817300000000 ] - [ -0.0020987900000000, 0.0038832200000000, 0.0022817300000000 ] - [ 0.0003334100000000, 0.0000000000000000, -0.0010156900000000 ] - [ 0.0003382300000000, 0.0000000000000000, -0.0009796400000000 ] - [ 0.0003816000000000, 0.0000000000000000, -0.0007360200000000 ] - [ 0.0004242900000000, 0.0000000000000000, -0.0007612900000000 ] - [ -0.0000547200000000, -0.0012032100000000, -0.0057094600000000 ] - [ -0.0000547200000000, 0.0012032100000000, -0.0057094600000000 ] - [ 0.0038630300000000, 0.0000000000000000, -0.0005884400000000 ] - [ -0.0002932900000000, 0.0000000000000000, -0.0002785300000000 ] - [ 0.0006151900000000, -0.0000936200000000, 0.0008278300000000 ] - [ 0.0006151900000000, 0.0000936200000000, 0.0008278300000000 ] - [ 0.0134082500000000, 0.0000000000000000, -0.0329236300000000 ] - [ -0.0008941000000000, 0.0000000000000000, 0.0007938400000000 ] - [ -0.0001011000000000, 0.0002960300000000, -0.0010561300000000 ] - [ -0.0001011000000000, -0.0002960300000000, -0.0010561300000000 ] - [ -0.0003898200000000, 0.0000000000000000, 0.0000572800000000 ] - [ -0.0000689800000000, 0.0000000000000000, 0.0002940300000000 ] - [ 0.0007949800000000, -0.0000332100000000, -0.0001800700000000 ] - [ 0.0007949800000000, 0.0000332100000000, -0.0001800700000000 ] - [ 0.0003017600000000, -0.0000141700000000, 0.0003077700000000 ] - [ 0.0003017600000000, 0.0000141700000000, 0.0003077700000000 ] - [ 0.0014358600000000, 0.0005282300000000, 0.0015362200000000 ] - [ 0.0014358600000000, -0.0005282300000000, 0.0015362200000000 ] - [ -0.0010291500000000, 0.0000000000000000, 0.0004291400000000 ] - [ -0.0005984600000000, 0.0000000000000000, 0.0003824100000000 ] - [ 0.0004534000000000, 0.0000000000000000, -0.0055236600000000 ] - [ -0.0009682900000000, 0.0000000000000000, -0.0006447400000000 ] - [ 0.0005251900000000, -0.0006212300000000, -0.0003516200000000 ] - [ 0.0004429600000000, -0.0006995600000000, -0.0003800400000000 ] - [ -0.0003116700000000, -0.0001963800000000, 0.0012890700000000 ] - [ -0.0010192900000000, -0.0005905200000000, -0.0003484300000000 ] - [ 0.0747765400000000, 0.0000000000000000, 0.1716415100000000 ] - [ 0.0009280500000000, 0.0000000000000000, 0.0006577400000000 ] - [ 0.0001251400000000, -0.0002328600000000, -0.0013321100000000 ] - [ 0.0002149700000000, -0.0004421400000000, -0.0009199000000000 ] - [ -0.0000940900000000, 0.0000060200000000, -0.0009830500000000 ] - [ -0.0000940900000000, -0.0000060200000000, -0.0009830500000000 ] - [ 0.0002045400000000, 0.0000000000000000, 0.0013725900000000 ] - [ -0.0000773300000000, 0.0000000000000000, 0.0009756200000000 ] - [ 0.0017461900000000, 0.0000000000000000, -0.0008794600000000 ] - [ -0.0001770100000000, 0.0000000000000000, -0.0008788700000000 ] - [ -0.0007877500000000, -0.0008425700000000, 0.0003307200000000 ] - [ -0.0008755100000000, -0.0007353200000000, 0.0003487600000000 ] - [ -0.0100005200000000, -0.0239790000000000, -0.0200435600000000 ] - [ 0.0004181000000000, 0.0012816900000000, 0.0019202000000000 ] - [ -0.0000639100000000, 0.0000000000000000, 0.0000228500000000 ] - [ -0.0000615500000000, 0.0000000000000000, 0.0000403700000000 ] - [ 0.0011278200000000, 0.0014111000000000, 0.0016832900000000 ] - [ -0.0043174100000000, -0.0071135500000000, -0.0055083100000000 ] - [ 0.0028855500000000, 0.0009793100000000, -0.0055532300000000 ] - [ 0.0028855500000000, -0.0009793100000000, -0.0055532300000000 ] - [ -0.0003116700000000, 0.0001963800000000, 0.0012890700000000 ] - [ -0.0010192900000000, 0.0005905200000000, -0.0003484300000000 ] - [ 0.0004181000000000, -0.0012816900000000, 0.0019202000000000 ] - [ -0.0100005200000000, 0.0239790000000000, -0.0200435600000000 ] - [ 0.0002586500000000, 0.0005982100000000, 0.0005427400000000 ] - [ 0.0003834000000000, 0.0005245900000000, 0.0007690300000000 ] - [ -0.0001177800000000, 0.0000851200000000, -0.0000881900000000 ] - [ -0.0001177800000000, -0.0000851200000000, -0.0000881900000000 ] - [ -0.0004520800000000, 0.0005116000000000, -0.0008361800000000 ] - [ -0.0004366500000000, 0.0005092400000000, -0.0008229800000000 ] - [ 0.0004429600000000, 0.0006995600000000, -0.0003800400000000 ] - [ 0.0005251900000000, 0.0006212300000000, -0.0003516200000000 ] - [ -0.0007877500000000, 0.0008425700000000, 0.0003307200000000 ] - [ -0.0008755100000000, 0.0007353200000000, 0.0003487600000000 ] - [ -0.0043174100000000, 0.0071135500000000, -0.0055083100000000 ] - [ 0.0011278200000000, -0.0014111000000000, 0.0016832900000000 ] - [ 0.0002586500000000, -0.0005982100000000, 0.0005427400000000 ] - [ 0.0003834000000000, -0.0005245900000000, 0.0007690300000000 ] - [ 0.0001251400000000, 0.0002328600000000, -0.0013321100000000 ] - [ 0.0002149700000000, 0.0004421400000000, -0.0009199000000000 ] - [ -0.0005627900000000, 0.0002911000000000, 0.0000600600000000 ] - [ -0.0005627900000000, -0.0002911000000000, 0.0000600600000000 ] - [ -0.0004366500000000, -0.0005092400000000, -0.0008229800000000 ] - [ -0.0004520800000000, -0.0005116000000000, -0.0008361800000000 ]- atom: 55 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0006574300000000, -0.0001152700000000, 0.0003346000000000 ] - [ -0.0009472200000000, 0.0001375000000000, 0.0011614500000000 ] - [ -0.0008976100000000, -0.0000109500000000, -0.0001061000000000 ] - [ -0.0008275800000000, -0.0000050400000000, -0.0001074200000000 ] - [ 0.0014147800000000, 0.0008981200000000, 0.0000297300000000 ] - [ 0.0644800800000000, 0.0472950800000000, -0.0364147000000000 ] - [ -0.0007020000000000, -0.0000176300000000, 0.0001645900000000 ] - [ -0.0006351300000000, 0.0000185200000000, 0.0001630600000000 ] - [ -0.0004289600000000, -0.0002788600000000, 0.0008119600000000 ] - [ -0.0002707300000000, 0.0002711900000000, 0.0009341300000000 ] - [ 0.0029236700000000, -0.0005899600000000, 0.0024453600000000 ] - [ 0.0006609900000000, 0.0004977000000000, -0.0003574900000000 ] - [ 0.0003973500000000, 0.0001949700000000, -0.0007704900000000 ] - [ -0.0004993900000000, -0.0000884900000000, -0.0001318300000000 ] - [ -0.0001975500000000, 0.0002785900000000, 0.0000186900000000 ] - [ -0.0004419300000000, -0.0003586900000000, -0.0002359800000000 ] - [ -0.0008046900000000, -0.0000070200000000, 0.0011013300000000 ] - [ -0.0008936900000000, 0.0000084700000000, 0.0010884000000000 ] - [ 0.0875703300000000, -0.0589695700000000, 0.0277635300000000 ] - [ 0.0017559100000000, -0.0005062100000000, -0.0007242800000000 ] - [ 0.0002580600000000, -0.0009923300000000, 0.0005455100000000 ] - [ -0.0024261100000000, 0.0015461600000000, -0.0023805300000000 ] - [ -0.0008359600000000, 0.0001020500000000, -0.0015041800000000 ] - [ 0.0000605600000000, -0.0000477600000000, -0.0010962400000000 ] - [ -0.0023798700000000, -0.0001056300000000, -0.0004635300000000 ] - [ -0.0003566300000000, -0.0001489500000000, -0.0006468200000000 ] - [ -0.0001515500000000, -0.0009308300000000, 0.0000945700000000 ] - [ -0.0000038400000000, 0.0006855600000000, -0.0000304600000000 ] - [ -0.0015221800000000, -0.0044381300000000, -0.0066919500000000 ] - [ 0.0011255600000000, 0.0005499800000000, 0.0000097300000000 ] - [ -0.0011411100000000, 0.0000063900000000, 0.0007260300000000 ] - [ -0.0012347700000000, -0.0000017400000000, 0.0007110300000000 ] - [ -0.0012290000000000, -0.0003787100000000, 0.0006851000000000 ] - [ -0.0005850200000000, 0.0003691700000000, 0.0007482300000000 ] - [ 0.0028004300000000, -0.0012044000000000, -0.0010962900000000 ] - [ 0.0030185900000000, 0.0006302700000000, -0.0000749200000000 ] - [ -0.0018807100000000, 0.0000423200000000, 0.0001557100000000 ] - [ -0.0016856500000000, -0.0000208900000000, 0.0001908500000000 ] - [ -0.0008940700000000, 0.0000857900000000, -0.0003237100000000 ] - [ -0.0006625700000000, -0.0001076100000000, -0.0002389600000000 ] - [ 0.0016158700000000, -0.0024896900000000, 0.0009176500000000 ] - [ 0.0011249600000000, 0.0006166200000000, 0.0007586300000000 ] - [ 0.0009241100000000, 0.0000459900000000, -0.0003578400000000 ] - [ 0.0009534800000000, -0.0000497300000000, -0.0003712400000000 ] - [ -0.0016226900000000, -0.0008679800000000, -0.0013352100000000 ] - [ -0.0014325300000000, 0.0020404500000000, -0.0008714500000000 ] - [ 0.0002461000000000, 0.0000344900000000, -0.0002888200000000 ] - [ 0.0001694500000000, -0.0000332600000000, -0.0002885600000000 ] - [ 0.0016889400000000, -0.0011495700000000, -0.0003572200000000 ] - [ 0.0010545600000000, -0.0003074600000000, -0.0001619200000000 ] - [ -0.0021424000000000, -0.0021968700000000, 0.0008931700000000 ] - [ -0.0012811800000000, -0.0005639500000000, -0.0003848000000000 ] - [ 0.0006050700000000, 0.0000896800000000, 0.0002104600000000 ] - [ 0.0003285000000000, -0.0000714700000000, 0.0001218100000000 ] - [ -0.1126102600000000, 0.0180442000000000, -0.0012732600000000 ] - [ -0.0005232400000000, -0.0005649600000000, -0.0009973000000000 ] - [ 0.0002511300000000, -0.0001451700000000, -0.0008975000000000 ] - [ 0.0008173400000000, 0.0001300900000000, -0.0009629100000000 ] - [ 0.0007910400000000, 0.0000068800000000, 0.0012288100000000 ] - [ 0.0007112100000000, -0.0000065300000000, 0.0012133400000000 ] - [ -0.0135091800000000, 0.0054825600000000, -0.0013274500000000 ] - [ -0.0012369000000000, -0.0000150500000000, -0.0003485600000000 ] - [ 0.0000795100000000, -0.0006833300000000, 0.0004402100000000 ] - [ 0.0000360900000000, -0.0007376800000000, 0.0004327500000000 ] - [ 0.0000284200000000, -0.0002577600000000, 0.0009746800000000 ] - [ 0.0000297400000000, -0.0009471100000000, 0.0005840500000000 ] - [ 0.0005029900000000, 0.0000010200000000, -0.0000766000000000 ] - [ 0.0004824300000000, -0.0001084800000000, 0.0000469600000000 ] - [ 0.0004931000000000, 0.0011027700000000, 0.0005275500000000 ] - [ 0.0014252300000000, 0.0004367600000000, 0.0010276000000000 ] - [ 0.0005882500000000, 0.0001685400000000, 0.0005647100000000 ] - [ 0.0025767500000000, -0.0000624700000000, 0.0007073200000000 ] - [ -0.0021319500000000, 0.0034916600000000, 0.0019888800000000 ] - [ -0.0009799800000000, 0.0000080400000000, -0.0001238500000000 ] - [ -0.0000978600000000, 0.0004974300000000, 0.0009247400000000 ] - [ 0.0002087000000000, 0.0006964100000000, 0.0006534800000000 ] - [ 0.0007725700000000, 0.0005297000000000, 0.0007754000000000 ] - [ 0.0007773600000000, 0.0004926200000000, 0.0008050100000000 ] - [ 0.0004942200000000, -0.0000198800000000, -0.0001176400000000 ] - [ 0.0005393600000000, 0.0000179600000000, -0.0001010200000000 ] - [ -0.0003490100000000, 0.0005616100000000, -0.0006981800000000 ] - [ 0.0002331000000000, 0.0007895800000000, -0.0005846600000000 ] - [ 0.0011056000000000, 0.0004457100000000, -0.0002886000000000 ] - [ 0.0017966600000000, 0.0011426600000000, -0.0003031400000000 ] - [ 0.0000653900000000, 0.0007259100000000, 0.0004583500000000 ] - [ 0.0000745500000000, 0.0007094000000000, 0.0004350400000000 ] - [ 0.0018929800000000, 0.0006219200000000, -0.0006444900000000 ] - [ 0.0007234600000000, -0.0020397400000000, 0.0020245900000000 ] - [ 0.0008012300000000, -0.0005048700000000, 0.0007915800000000 ] - [ 0.0007476700000000, -0.0005178900000000, 0.0007926400000000 ] - [ -0.0107269100000000, 0.0055054500000000, -0.0042907700000000 ] - [ -0.0079112500000000, -0.0038855000000000, 0.0029386600000000 ] - [ -0.0017802400000000, 0.0009924800000000, -0.0007521200000000 ] - [ -0.0106683700000000, -0.0100734500000000, 0.0098128800000000 ] - [ -0.0000142200000000, -0.0011939800000000, -0.0004107800000000 ] - [ -0.0000122900000000, -0.0002279000000000, -0.0009227400000000 ]- atom: 55 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0005974400000000, 0.0001143800000000, 0.0002571700000000 ] - [ 0.0008863600000000, -0.0001361200000000, -0.0005644500000000 ] - [ 0.0005153300000000, 0.0000062900000000, 0.0002345000000000 ] - [ 0.0004456700000000, 0.0000003400000000, 0.0002343300000000 ] - [ -0.0018382900000000, -0.0009066200000000, -0.0018524800000000 ] - [ -0.0647902800000000, -0.0483182300000000, 0.0352739100000000 ] - [ 0.0007542100000000, 0.0000179900000000, 0.0004265300000000 ] - [ 0.0006855100000000, -0.0000181100000000, 0.0004269100000000 ] - [ 0.0008459400000000, 0.0002791400000000, 0.0010201100000000 ] - [ 0.0006903300000000, -0.0002678000000000, 0.0008994300000000 ] - [ -0.0032891000000000, 0.0005871300000000, -0.0025577900000000 ] - [ -0.0010331800000000, -0.0004949200000000, 0.0002262400000000 ] - [ -0.0004599400000000, -0.0001951400000000, 0.0001780400000000 ] - [ 0.0004293900000000, 0.0000880100000000, -0.0004591300000000 ] - [ 0.0005753200000000, -0.0002714600000000, -0.0001449100000000 ] - [ 0.0008153800000000, 0.0003625500000000, 0.0001067400000000 ] - [ 0.0003806200000000, 0.0000087700000000, 0.0007351100000000 ] - [ 0.0004671400000000, -0.0000073800000000, 0.0007482900000000 ] - [ -0.0881898000000000, 0.0609519800000000, -0.0293874800000000 ] - [ -0.0017087800000000, 0.0004702600000000, 0.0001072800000000 ] - [ 0.0001181000000000, 0.0009812700000000, -0.0004211300000000 ] - [ 0.0027885700000000, -0.0015339200000000, 0.0024915600000000 ] - [ 0.0012662500000000, -0.0000997900000000, -0.0003202400000000 ] - [ 0.0003613400000000, 0.0000418500000000, -0.0007327400000000 ] - [ 0.0027543400000000, 0.0001145500000000, -0.0011137400000000 ] - [ 0.0007265800000000, 0.0001457500000000, -0.0009234600000000 ] - [ 0.0011657600000000, 0.0009221400000000, 0.0002770600000000 ] - [ 0.0010228300000000, -0.0006774800000000, 0.0004001800000000 ] - [ 0.0005338900000000, 0.0044340600000000, 0.0062838000000000 ] - [ -0.0021252200000000, -0.0005661500000000, -0.0003755600000000 ] - [ 0.0007637100000000, -0.0000062500000000, 0.0008395400000000 ] - [ 0.0008566500000000, 0.0000015200000000, 0.0008548100000000 ] - [ 0.0015962500000000, 0.0003747600000000, 0.0008807000000000 ] - [ 0.0009581500000000, -0.0003665800000000, 0.0008186100000000 ] - [ -0.0031625200000000, 0.0011949000000000, -0.0004718200000000 ] - [ -0.0033831100000000, -0.0006233000000000, -0.0014741700000000 ] - [ 0.0008577800000000, -0.0000417600000000, 0.0002149300000000 ] - [ 0.0006638500000000, 0.0000203700000000, 0.0001794700000000 ] - [ 0.0019098700000000, -0.0000846000000000, -0.0000477500000000 ] - [ 0.0016764700000000, 0.0001059700000000, -0.0001328400000000 ] - [ -0.0007529600000000, 0.0024976100000000, -0.0002446000000000 ] - [ -0.0002793400000000, -0.0006323900000000, -0.0000870500000000 ] - [ -0.0000555700000000, -0.0000453900000000, -0.0003161900000000 ] - [ -0.0000846300000000, 0.0000490400000000, -0.0003027500000000 ] - [ 0.0007519800000000, 0.0008625000000000, 0.0020148700000000 ] - [ 0.0005640700000000, -0.0020299700000000, 0.0015397900000000 ] - [ -0.0011101400000000, -0.0000343000000000, -0.0003855100000000 ] - [ -0.0010339300000000, 0.0000334200000000, -0.0003853200000000 ] - [ -0.0004393300000000, -0.0001471900000000, -0.0003250600000000 ] - [ 0.0001907500000000, -0.0009844500000000, -0.0005187900000000 ] - [ 0.0008986100000000, 0.0008815200000000, -0.0015764000000000 ] - [ 0.0000351800000000, -0.0007224300000000, -0.0002959300000000 ] - [ -0.0004430700000000, -0.0000889700000000, -0.0002365700000000 ] - [ -0.0001696900000000, 0.0000711000000000, -0.0001500200000000 ] - [ 0.1137889700000000, -0.0200353300000000, -0.0001278800000000 ] - [ 0.0012226200000000, -0.0004133500000000, -0.0007273500000000 ] - [ -0.0000736400000000, 0.0001448600000000, -0.0009419600000000 ] - [ -0.0006317200000000, -0.0001288200000000, -0.0008729900000000 ] - [ -0.0009669300000000, -0.0000073500000000, 0.0006074300000000 ] - [ -0.0008845700000000, 0.0000061400000000, 0.0006282500000000 ] - [ 0.0133532300000000, -0.0055486100000000, -0.0005723200000000 ] - [ 0.0010515800000000, 0.0000185700000000, -0.0014863200000000 ] - [ -0.0013200700000000, -0.0006098600000000, 0.0002383100000000 ] - [ -0.0012767800000000, -0.0005551800000000, 0.0002461800000000 ] - [ -0.0007251000000000, -0.0007369400000000, 0.0007474600000000 ] - [ -0.0007264500000000, -0.0000512700000000, 0.0011363100000000 ] - [ -0.0003434500000000, -0.0000013700000000, 0.0001061000000000 ] - [ -0.0003223300000000, 0.0001093100000000, -0.0000191300000000 ] - [ 0.0007457800000000, 0.0001954500000000, 0.0001564900000000 ] - [ -0.0001707100000000, 0.0008534300000000, -0.0003368800000000 ] - [ -0.0004093300000000, -0.0001680000000000, 0.0012744600000000 ] - [ -0.0023825500000000, 0.0000625400000000, 0.0011301400000000 ] - [ 0.0008846000000000, -0.0021701000000000, -0.0026482300000000 ] - [ -0.0002695100000000, 0.0012837600000000, -0.0005572000000000 ] - [ -0.0006008300000000, 0.0004990800000000, 0.0007933300000000 ] - [ -0.0009042700000000, 0.0003002000000000, 0.0010634300000000 ] - [ -0.0000742000000000, 0.0004642900000000, 0.0009434500000000 ] - [ -0.0000760400000000, 0.0005045300000000, 0.0009123300000000 ] - [ -0.0006505700000000, 0.0000199300000000, 0.0000889700000000 ] - [ -0.0006959000000000, -0.0000179500000000, 0.0000727600000000 ] - [ -0.0003481500000000, 0.0004359800000000, -0.0010234300000000 ] - [ -0.0009288400000000, 0.0002000800000000, -0.0011407400000000 ] - [ 0.0001397500000000, 0.0008471600000000, -0.0003896800000000 ] - [ -0.0005504800000000, 0.0001505500000000, -0.0003753200000000 ] - [ -0.0013065000000000, 0.0005668200000000, 0.0002230500000000 ] - [ -0.0013151400000000, 0.0005839600000000, 0.0002467900000000 ] - [ -0.0006493800000000, -0.0019135600000000, 0.0013204300000000 ] - [ 0.0005158200000000, 0.0007373600000000, -0.0013331700000000 ] - [ -0.0001030200000000, -0.0004890700000000, 0.0009308700000000 ] - [ -0.0000471600000000, -0.0004791600000000, 0.0009280200000000 ] - [ 0.0114811500000000, -0.0044595200000000, 0.0026505200000000 ] - [ 0.0086195900000000, 0.0049139800000000, -0.0047035400000000 ] - [ 0.0016155400000000, -0.0009797400000000, 0.0007838200000000 ] - [ 0.0105010400000000, 0.0101137800000000, -0.0097318600000000 ] - [ -0.0006845900000000, 0.0001986200000000, -0.0013088100000000 ] - [ -0.0006822200000000, -0.0007636300000000, -0.0007981100000000 ]- atom: 55 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0001219600000000, -0.0003414600000000, 0.0003547400000000 ] - [ 0.0002330400000000, 0.0003460100000000, -0.0005855800000000 ] - [ -0.0001070300000000, 0.0002872400000000, 0.0000793100000000 ] - [ -0.0002596500000000, -0.0002863600000000, 0.0001052600000000 ] - [ 0.0024559900000000, -0.0124614600000000, -0.0086671400000000 ] - [ 0.0365019300000000, 0.0408607300000000, -0.0212603100000000 ] - [ 0.0000140700000000, 0.0000865900000000, 0.0003117100000000 ] - [ 0.0000743800000000, -0.0000873800000000, 0.0002708000000000 ] - [ -0.0000948800000000, 0.0004080100000000, 0.0008076000000000 ] - [ 0.0003042300000000, -0.0004049000000000, 0.0008975000000000 ] - [ -0.0072808300000000, 0.0021285600000000, 0.0053504900000000 ] - [ 0.0011579600000000, -0.0020707900000000, -0.0015777500000000 ] - [ -0.0000890700000000, -0.0012113700000000, -0.0001905800000000 ] - [ -0.0030206000000000, 0.0012702300000000, 0.0003670700000000 ] - [ 0.0003720500000000, -0.0007212600000000, -0.0001169300000000 ] - [ -0.0007424500000000, 0.0007376400000000, -0.0008044600000000 ] - [ -0.0002192300000000, -0.0000760000000000, 0.0008921700000000 ] - [ -0.0001506300000000, 0.0000773400000000, 0.0009176400000000 ] - [ -0.0471076300000000, 0.0616504500000000, -0.0225341700000000 ] - [ -0.0040426200000000, -0.0118205000000000, -0.0058289100000000 ] - [ -0.0006859000000000, -0.0014458600000000, -0.0005448100000000 ] - [ 0.0029839700000000, 0.0011296900000000, 0.0013650500000000 ] - [ 0.0023883400000000, 0.0015206600000000, 0.0000402300000000 ] - [ -0.0004279500000000, -0.0016068500000000, -0.0003387200000000 ] - [ 0.0032715900000000, 0.0013215500000000, -0.0008148100000000 ] - [ -0.0012219800000000, -0.0014170500000000, -0.0013835700000000 ] - [ -0.0006223000000000, -0.0018130300000000, 0.0005133300000000 ] - [ 0.0010450000000000, 0.0017319300000000, 0.0009671000000000 ] - [ -0.0023884700000000, 0.0065478700000000, -0.0020860700000000 ] - [ 0.0024647900000000, -0.0056142300000000, 0.0012539600000000 ] - [ -0.0001524600000000, -0.0000799400000000, 0.0007729300000000 ] - [ -0.0001681500000000, 0.0000774200000000, 0.0008110300000000 ] - [ 0.0000199600000000, 0.0006569000000000, 0.0009674100000000 ] - [ 0.0006850000000000, -0.0005852000000000, 0.0009633900000000 ] - [ 0.0003565800000000, -0.0046586100000000, 0.0002152800000000 ] - [ -0.0002885800000000, 0.0045602400000000, 0.0055332900000000 ] - [ -0.0002095400000000, 0.0002091600000000, 0.0002351700000000 ] - [ -0.0005917200000000, -0.0002143900000000, 0.0001779300000000 ] - [ 0.0014930800000000, -0.0004168000000000, -0.0000002100000000 ] - [ -0.0004121700000000, 0.0004670300000000, -0.0000478800000000 ] - [ -0.0014445400000000, 0.0032505900000000, -0.0003455100000000 ] - [ 0.0026541000000000, -0.0014782500000000, 0.0014299000000000 ] - [ 0.0006156800000000, 0.0000736400000000, -0.0004112600000000 ] - [ 0.0004072400000000, -0.0000794400000000, -0.0003487200000000 ] - [ -0.0015615700000000, -0.0019563100000000, 0.0018585100000000 ] - [ 0.0000611300000000, 0.0046088000000000, -0.0016220100000000 ] - [ -0.0004561900000000, -0.0000596800000000, -0.0003254500000000 ] - [ -0.0004630600000000, 0.0000595900000000, -0.0003192900000000 ] - [ -0.0002775700000000, 0.0001663800000000, -0.0001947200000000 ] - [ 0.0009464700000000, -0.0007780500000000, -0.0003453600000000 ] - [ -0.0016714700000000, -0.0064663900000000, -0.0022679300000000 ] - [ 0.0000584200000000, 0.0019617100000000, 0.0001782500000000 ] - [ 0.0005725800000000, -0.0002418600000000, -0.0002775200000000 ] - [ -0.0000237300000000, 0.0002489900000000, -0.0000676700000000 ] - [ 0.0213969800000000, -0.1617327900000000, 0.0752543800000000 ] - [ 0.0002720300000000, 0.0099640200000000, -0.0038493300000000 ] - [ -0.0001835900000000, 0.0004033500000000, -0.0008704600000000 ] - [ 0.0019636000000000, -0.0004427400000000, -0.0007442800000000 ] - [ -0.0001135900000000, -0.0000544700000000, 0.0009152300000000 ] - [ -0.0000852300000000, 0.0000524900000000, 0.0009002600000000 ] - [ 0.0076361100000000, 0.0038455800000000, -0.0210315700000000 ] - [ -0.0015125300000000, 0.0018894500000000, 0.0009254800000000 ] - [ -0.0004799400000000, -0.0010116100000000, 0.0004414000000000 ] - [ -0.0007888500000000, -0.0002987300000000, 0.0001999700000000 ] - [ 0.0000991700000000, -0.0003265100000000, 0.0008765600000000 ] - [ -0.0005895500000000, -0.0003264100000000, 0.0011015200000000 ] - [ -0.0004767200000000, -0.0004134200000000, -0.0000888700000000 ] - [ 0.0004309700000000, 0.0005305500000000, -0.0000148200000000 ] - [ -0.0001461500000000, 0.0021901600000000, 0.0010937600000000 ] - [ 0.0004778600000000, -0.0014752600000000, -0.0010313300000000 ] - [ 0.0005330700000000, 0.0002174100000000, 0.0009976600000000 ] - [ -0.0017814900000000, -0.0001911000000000, 0.0009689000000000 ] - [ -0.0003170100000000, 0.0041790600000000, -0.0012965400000000 ] - [ -0.0016247700000000, 0.0010852900000000, -0.0011385300000000 ] - [ -0.0003506600000000, 0.0009476300000000, 0.0007689400000000 ] - [ -0.0001512800000000, -0.0002853400000000, 0.0012022600000000 ] - [ 0.0003157800000000, 0.0004765700000000, 0.0008722800000000 ] - [ 0.0003580800000000, 0.0005187400000000, 0.0008594500000000 ] - [ -0.0001250800000000, 0.0000676900000000, 0.0000007500000000 ] - [ -0.0001157700000000, -0.0000671400000000, -0.0000014400000000 ] - [ -0.0002877000000000, 0.0015890900000000, -0.0006581400000000 ] - [ -0.0000545800000000, -0.0019473600000000, -0.0019084800000000 ] - [ 0.0010849300000000, 0.0014847600000000, -0.0005054800000000 ] - [ -0.0004349000000000, -0.0008919800000000, -0.0000204000000000 ] - [ -0.0008443500000000, 0.0004184600000000, 0.0001916200000000 ] - [ -0.0004357800000000, 0.0008842700000000, 0.0004449400000000 ] - [ 0.0014000500000000, -0.0000377600000000, -0.0001948000000000 ] - [ -0.0005950500000000, -0.0004814900000000, -0.0001491400000000 ] - [ 0.0003411400000000, -0.0006158200000000, 0.0008344900000000 ] - [ 0.0003321900000000, -0.0003799500000000, 0.0009004900000000 ] - [ -0.0047348000000000, 0.0310693500000000, 0.0087817600000000 ] - [ 0.0046687800000000, 0.0252447500000000, 0.0048618900000000 ] - [ 0.0015360800000000, 0.0018414200000000, 0.0018293000000000 ] - [ -0.0111797500000000, 0.0035576400000000, -0.0234942200000000 ] - [ -0.0006177100000000, 0.0002344300000000, -0.0013164400000000 ] - [ 0.0003463700000000, 0.0002361900000000, -0.0012387800000000 ]- atom: 55 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0000592100000000, 0.0003423800000000, 0.0002378000000000 ] - [ -0.0002955400000000, -0.0003466100000000, 0.0011801400000000 ] - [ -0.0002761100000000, -0.0002925400000000, 0.0000533900000000 ] - [ -0.0001232700000000, 0.0002816300000000, 0.0000249000000000 ] - [ -0.0028332700000000, 0.0124557800000000, 0.0067811100000000 ] - [ -0.0383138500000000, -0.0431242800000000, 0.0212781800000000 ] - [ 0.0000176300000000, -0.0000861800000000, 0.0002730200000000 ] - [ -0.0000492200000000, 0.0000864500000000, 0.0003128600000000 ] - [ 0.0005162300000000, -0.0004071900000000, 0.0010248000000000 ] - [ 0.0001177500000000, 0.0004066100000000, 0.0009336200000000 ] - [ 0.0068992100000000, -0.0021058400000000, -0.0054956500000000 ] - [ -0.0015518400000000, 0.0020770900000000, 0.0014579900000000 ] - [ 0.0000304700000000, 0.0012154300000000, -0.0004046100000000 ] - [ 0.0029671600000000, -0.0012720900000000, -0.0009625700000000 ] - [ 0.0000093800000000, 0.0007296400000000, -0.0000122600000000 ] - [ 0.0011224600000000, -0.0007364900000000, 0.0006742200000000 ] - [ -0.0002061500000000, 0.0000785700000000, 0.0009416600000000 ] - [ -0.0002746300000000, -0.0000764800000000, 0.0009160100000000 ] - [ 0.0448434400000000, -0.0589477800000000, 0.0202270200000000 ] - [ 0.0041600100000000, 0.0118239900000000, 0.0052618600000000 ] - [ 0.0010599600000000, 0.0014482000000000, 0.0006691100000000 ] - [ -0.0026060300000000, -0.0011442400000000, -0.0012407300000000 ] - [ -0.0019658700000000, -0.0015218100000000, -0.0018695500000000 ] - [ 0.0008571600000000, 0.0016041400000000, -0.0014939600000000 ] - [ -0.0028993800000000, -0.0013231000000000, -0.0007583300000000 ] - [ 0.0016065300000000, 0.0014167900000000, -0.0001819600000000 ] - [ 0.0016344400000000, 0.0018189300000000, -0.0001420600000000 ] - [ -0.0000338100000000, -0.0017383800000000, -0.0005952100000000 ] - [ 0.0013998000000000, -0.0065035100000000, 0.0017620800000000 ] - [ -0.0034882500000000, 0.0056148400000000, -0.0016399200000000 ] - [ -0.0002251000000000, 0.0000803800000000, 0.0007942400000000 ] - [ -0.0002090600000000, -0.0000774800000000, 0.0007562000000000 ] - [ 0.0003620500000000, -0.0006572200000000, 0.0005989300000000 ] - [ -0.0003078000000000, 0.0005847500000000, 0.0006046100000000 ] - [ -0.0007286000000000, 0.0046647200000000, -0.0017874300000000 ] - [ -0.0000822200000000, -0.0045612200000000, -0.0071012300000000 ] - [ -0.0008105400000000, -0.0002087000000000, 0.0001333200000000 ] - [ -0.0004269000000000, 0.0002141600000000, 0.0001913300000000 ] - [ -0.0004809600000000, 0.0004174700000000, -0.0003713400000000 ] - [ 0.0014266800000000, -0.0004680600000000, -0.0003221300000000 ] - [ 0.0023162100000000, -0.0032738400000000, 0.0010232000000000 ] - [ -0.0017935900000000, 0.0014789000000000, -0.0007486500000000 ] - [ 0.0002521600000000, -0.0000729900000000, -0.0002630400000000 ] - [ 0.0004604600000000, 0.0000794000000000, -0.0003248300000000 ] - [ 0.0006938300000000, 0.0019478300000000, -0.0011858200000000 ] - [ -0.0009362600000000, -0.0045944000000000, 0.0022923700000000 ] - [ -0.0004082100000000, 0.0000592100000000, -0.0003489800000000 ] - [ -0.0004008200000000, -0.0000596100000000, -0.0003546800000000 ] - [ 0.0015263900000000, -0.0014630300000000, -0.0004875900000000 ] - [ 0.0002965300000000, -0.0005105900000000, -0.0003346600000000 ] - [ 0.0004286900000000, 0.0051801000000000, 0.0015924000000000 ] - [ -0.0013003000000000, -0.0032608300000000, -0.0008612900000000 ] - [ -0.0004125400000000, 0.0002420700000000, 0.0002497700000000 ] - [ 0.0001839700000000, -0.0002492700000000, 0.0000385700000000 ] - [ -0.0166809900000000, 0.1601624700000000, -0.0771915500000000 ] - [ 0.0004216500000000, -0.0109655200000000, 0.0021350000000000 ] - [ 0.0003617000000000, -0.0004048100000000, -0.0009711000000000 ] - [ -0.0017829500000000, 0.0004450000000000, -0.0010991900000000 ] - [ -0.0000641100000000, 0.0000535900000000, 0.0009261700000000 ] - [ -0.0000899300000000, -0.0000532000000000, 0.0009456800000000 ] - [ -0.0078601200000000, -0.0038352300000000, 0.0189887700000000 ] - [ 0.0013437300000000, -0.0018919300000000, -0.0027912900000000 ] - [ -0.0007622600000000, -0.0002788800000000, 0.0002365100000000 ] - [ -0.0004526500000000, -0.0009932500000000, 0.0004783700000000 ] - [ -0.0007958900000000, -0.0006693900000000, 0.0008459400000000 ] - [ -0.0001072800000000, -0.0006685100000000, 0.0006204100000000 ] - [ 0.0006357600000000, 0.0004140800000000, 0.0001178200000000 ] - [ -0.0002720600000000, -0.0005319700000000, 0.0000432700000000 ] - [ 0.0013924600000000, -0.0008990900000000, -0.0004122300000000 ] - [ 0.0007652600000000, 0.0027702600000000, 0.0017121000000000 ] - [ -0.0003509900000000, -0.0002191800000000, 0.0008458900000000 ] - [ 0.0019678500000000, 0.0001913300000000, 0.0008747700000000 ] - [ -0.0009169700000000, -0.0028893800000000, 0.0006033800000000 ] - [ 0.0003883800000000, 0.0002089100000000, 0.0004656400000000 ] - [ -0.0003453700000000, 0.0000463600000000, 0.0009498800000000 ] - [ -0.0005462900000000, 0.0012815600000000, 0.0005164500000000 ] - [ 0.0003837200000000, 0.0005164900000000, 0.0008470700000000 ] - [ 0.0003429100000000, 0.0004782500000000, 0.0008580900000000 ] - [ -0.0000302900000000, -0.0000678600000000, -0.0000306400000000 ] - [ -0.0000414100000000, 0.0000676400000000, -0.0000264100000000 ] - [ -0.0004121000000000, -0.0005952600000000, -0.0010633200000000 ] - [ -0.0006415500000000, 0.0029449300000000, 0.0001873400000000 ] - [ 0.0001579000000000, -0.0001964200000000, -0.0001716900000000 ] - [ 0.0016850500000000, 0.0021879700000000, -0.0006572900000000 ] - [ -0.0003972900000000, 0.0008731700000000, 0.0004900800000000 ] - [ -0.0008060800000000, 0.0004076500000000, 0.0002363500000000 ] - [ -0.0001631600000000, -0.0012631300000000, 0.0008796800000000 ] - [ 0.0018419100000000, -0.0008071900000000, 0.0008250000000000 ] - [ 0.0003577900000000, -0.0003777100000000, 0.0008882900000000 ] - [ 0.0003698500000000, -0.0006166100000000, 0.0008209100000000 ] - [ 0.0052298700000000, -0.0293975800000000, -0.0105290000000000 ] - [ -0.0041336900000000, -0.0247715400000000, -0.0065020200000000 ] - [ -0.0016758900000000, -0.0018446400000000, -0.0017608000000000 ] - [ 0.0109995800000000, -0.0036138500000000, 0.0237523100000000 ] - [ -0.0000797200000000, -0.0012327900000000, -0.0004000700000000 ] - [ -0.0010440200000000, -0.0012303500000000, -0.0004808100000000 ]- atom: 55 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ -0.0000787000000000, 0.0002331600000000, 0.0005435700000000 ] - [ -0.0001698500000000, -0.0002109000000000, 0.0006898000000000 ] - [ -0.0002796000000000, -0.0000485800000000, -0.0000422300000000 ] - [ -0.0002289200000000, 0.0000401300000000, -0.0000463900000000 ] - [ -0.0011033800000000, 0.0052259200000000, 0.0030467000000000 ] - [ -0.0298606800000000, -0.0271188000000000, 0.0339812500000000 ] - [ -0.0001027600000000, -0.0000246300000000, 0.0002681100000000 ] - [ -0.0000995800000000, 0.0000255100000000, 0.0002797000000000 ] - [ 0.0003383300000000, -0.0000765300000000, 0.0007891700000000 ] - [ 0.0001099500000000, 0.0000706400000000, 0.0009022000000000 ] - [ 0.0080211700000000, 0.0011141400000000, -0.0077526900000000 ] - [ -0.0004412500000000, 0.0006568400000000, 0.0004170300000000 ] - [ 0.0006068600000000, 0.0002548900000000, -0.0004156600000000 ] - [ 0.0018766600000000, -0.0002977700000000, -0.0008725800000000 ] - [ 0.0001864400000000, 0.0004125100000000, 0.0000975800000000 ] - [ 0.0006811700000000, -0.0004274100000000, 0.0004768000000000 ] - [ -0.0003032700000000, 0.0000248800000000, 0.0009651000000000 ] - [ -0.0003136500000000, -0.0000235800000000, 0.0009657700000000 ] - [ 0.0196772000000000, -0.0153600000000000, 0.0236739700000000 ] - [ 0.0016534600000000, 0.0040944400000000, 0.0014996500000000 ] - [ 0.0007540200000000, -0.0002272900000000, 0.0012063000000000 ] - [ -0.0006955700000000, 0.0000780500000000, 0.0008605600000000 ] - [ -0.0004768500000000, -0.0005412300000000, -0.0019484100000000 ] - [ 0.0003576500000000, 0.0004922400000000, -0.0016588400000000 ] - [ -0.0017086300000000, -0.0004766000000000, -0.0006308300000000 ] - [ 0.0007797600000000, 0.0005230900000000, -0.0002250700000000 ] - [ 0.0008771700000000, 0.0005505600000000, -0.0004068000000000 ] - [ 0.0001926000000000, -0.0006577000000000, -0.0005740700000000 ] - [ -0.0023167500000000, -0.0040521700000000, -0.0000985500000000 ] - [ -0.0021774500000000, 0.0032561000000000, -0.0005107100000000 ] - [ -0.0003664700000000, 0.0000304000000000, 0.0007726400000000 ] - [ -0.0003661100000000, -0.0000295600000000, 0.0007662900000000 ] - [ -0.0003949300000000, -0.0000018000000000, 0.0006295500000000 ] - [ -0.0002166500000000, 0.0000938300000000, 0.0006656200000000 ] - [ 0.0001072200000000, 0.0026661200000000, -0.0025953600000000 ] - [ 0.0010307000000000, -0.0033098200000000, -0.0092216200000000 ] - [ -0.0008476900000000, -0.0000508300000000, 0.0001665900000000 ] - [ -0.0006327500000000, 0.0000553500000000, 0.0002184000000000 ] - [ -0.0001054700000000, 0.0001238900000000, -0.0003846900000000 ] - [ 0.0002979300000000, -0.0001106500000000, -0.0004084400000000 ] - [ 0.0015794600000000, -0.0018373400000000, 0.0007817600000000 ] - [ 0.0012832000000000, 0.0014729600000000, -0.0000999800000000 ] - [ 0.0004316000000000, -0.0000128700000000, -0.0002852000000000 ] - [ 0.0005023000000000, 0.0000121600000000, -0.0003013600000000 ] - [ -0.0025161300000000, 0.0026372700000000, 0.0029802800000000 ] - [ -0.0007841900000000, -0.0026076800000000, 0.0015812300000000 ] - [ -0.0003083000000000, 0.0000108400000000, -0.0003461400000000 ] - [ -0.0003349900000000, -0.0000113400000000, -0.0003460900000000 ] - [ 0.0012965300000000, -0.0012389600000000, -0.0004247000000000 ] - [ 0.0005441800000000, -0.0005311000000000, -0.0003958600000000 ] - [ -0.0002549200000000, 0.0010273300000000, 0.0040969900000000 ] - [ -0.0011553000000000, -0.0016755400000000, -0.0004767400000000 ] - [ -0.0000666000000000, 0.0000690800000000, 0.0004569000000000 ] - [ 0.0001407400000000, -0.0000724900000000, 0.0000447100000000 ] - [ 0.0001997800000000, 0.0759592800000000, -0.0854464500000000 ] - [ 0.0002122500000000, -0.0034936200000000, 0.0000232700000000 ] - [ 0.0000118100000000, -0.0001930600000000, -0.0010881000000000 ] - [ -0.0009703100000000, 0.0002140100000000, -0.0010877700000000 ] - [ 0.0000797100000000, 0.0000072600000000, 0.0010012900000000 ] - [ 0.0000469300000000, -0.0000080900000000, 0.0009976900000000 ] - [ -0.0010702100000000, -0.0138408400000000, 0.0185246700000000 ] - [ 0.0001084500000000, -0.0007650000000000, -0.0017685600000000 ] - [ -0.0004750700000000, -0.0006586500000000, 0.0003870900000000 ] - [ -0.0004540400000000, -0.0007699500000000, 0.0004017300000000 ] - [ -0.0006235400000000, -0.0007377600000000, 0.0008136300000000 ] - [ -0.0002349900000000, -0.0005135900000000, 0.0008134400000000 ] - [ -0.0000117800000000, 0.0001078400000000, 0.0003320500000000 ] - [ -0.0000225000000000, -0.0001184700000000, 0.0001056500000000 ] - [ 0.0011973800000000, 0.0001974000000000, 0.0000846300000000 ] - [ 0.0012630400000000, 0.0004961200000000, 0.0000045000000000 ] - [ 0.0003953900000000, 0.0000647700000000, 0.0004328500000000 ] - [ 0.0007788500000000, -0.0000135000000000, 0.0006420900000000 ] - [ -0.0010750500000000, -0.0006591700000000, 0.0063070600000000 ] - [ -0.0001936500000000, 0.0002776400000000, 0.0005906700000000 ] - [ -0.0002812200000000, 0.0004065400000000, 0.0008461600000000 ] - [ -0.0005548900000000, 0.0008409200000000, 0.0007699100000000 ] - [ 0.0004343200000000, 0.0005080200000000, 0.0008352600000000 ] - [ 0.0004032200000000, 0.0005012300000000, 0.0008432800000000 ] - [ 0.0000362700000000, -0.0000341300000000, -0.0000392000000000 ] - [ 0.0000273100000000, 0.0000333800000000, -0.0000479500000000 ] - [ -0.0005121900000000, 0.0002957100000000, -0.0007135900000000 ] - [ -0.0006247900000000, 0.0015473000000000, -0.0002408400000000 ] - [ 0.0004758000000000, 0.0002730000000000, -0.0002694200000000 ] - [ 0.0013810500000000, 0.0015123700000000, -0.0005850400000000 ] - [ -0.0004282100000000, 0.0007341400000000, 0.0004257000000000 ] - [ -0.0004927700000000, 0.0007006500000000, 0.0003731800000000 ] - [ 0.0022158800000000, 0.0007198900000000, -0.0008350400000000 ] - [ 0.0011438500000000, -0.0006503000000000, 0.0002177900000000 ] - [ 0.0004179500000000, -0.0004709700000000, 0.0008466900000000 ] - [ 0.0004186100000000, -0.0005382100000000, 0.0008366400000000 ] - [ -0.0031227000000000, -0.0091758600000000, -0.0092017100000000 ] - [ 0.0041788600000000, -0.0051906900000000, -0.0087453100000000 ] - [ -0.0016601800000000, 0.0001763900000000, -0.0010649600000000 ] - [ 0.0038455200000000, -0.0101262900000000, 0.0212565600000000 ] - [ -0.0002858300000000, -0.0008785300000000, -0.0004661400000000 ] - [ -0.0007971400000000, -0.0009563600000000, -0.0004686000000000 ]- atom: 55 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0000276600000000, -0.0002329900000000, 0.0000473300000000 ] - [ 0.0001187400000000, 0.0002114000000000, -0.0001018800000000 ] - [ -0.0001024600000000, 0.0000430300000000, 0.0001672100000000 ] - [ -0.0001543200000000, -0.0000438200000000, 0.0001737000000000 ] - [ 0.0006864600000000, -0.0052049400000000, -0.0048381400000000 ] - [ 0.0289229000000000, 0.0259296300000000, -0.0353268500000000 ] - [ 0.0001501600000000, 0.0000251600000000, 0.0003232600000000 ] - [ 0.0001454800000000, -0.0000259000000000, 0.0003110500000000 ] - [ 0.0000782900000000, 0.0000793100000000, 0.0010417800000000 ] - [ 0.0003102200000000, -0.0000705800000000, 0.0009296100000000 ] - [ -0.0084157700000000, -0.0011016400000000, 0.0076361000000000 ] - [ 0.0000664800000000, -0.0006480700000000, -0.0005456600000000 ] - [ -0.0006625000000000, -0.0002556700000000, -0.0001789000000000 ] - [ -0.0019377500000000, 0.0002971400000000, 0.0002803700000000 ] - [ 0.0001913000000000, -0.0004059000000000, -0.0002228800000000 ] - [ -0.0003031400000000, 0.0004301900000000, -0.0006001600000000 ] - [ -0.0001147300000000, -0.0000235500000000, 0.0008733800000000 ] - [ -0.0001050100000000, 0.0000255100000000, 0.0008754900000000 ] - [ -0.0198488800000000, 0.0159513400000000, -0.0244048700000000 ] - [ -0.0015790200000000, -0.0040883700000000, -0.0021124100000000 ] - [ -0.0003740200000000, 0.0002162400000000, -0.0010746700000000 ] - [ 0.0010781900000000, -0.0000834600000000, -0.0007271300000000 ] - [ 0.0008979000000000, 0.0005388200000000, 0.0001111700000000 ] - [ 0.0000617700000000, -0.0004924800000000, -0.0001760400000000 ] - [ 0.0020699400000000, 0.0004748000000000, -0.0009362800000000 ] - [ -0.0004088000000000, -0.0005201700000000, -0.0013429700000000 ] - [ 0.0001297800000000, -0.0005585200000000, 0.0007753900000000 ] - [ 0.0008159100000000, 0.0006601600000000, 0.0009467000000000 ] - [ 0.0013595500000000, 0.0041066100000000, -0.0001470500000000 ] - [ 0.0011628900000000, -0.0032427400000000, 0.0001472900000000 ] - [ -0.0000114600000000, -0.0000306100000000, 0.0007937700000000 ] - [ -0.0000115600000000, 0.0000292000000000, 0.0007998500000000 ] - [ 0.0007604600000000, 0.0000063000000000, 0.0009397000000000 ] - [ 0.0005855100000000, -0.0000958100000000, 0.0009012900000000 ] - [ -0.0004692800000000, -0.0026863200000000, 0.0010330300000000 ] - [ -0.0013876800000000, 0.0033221000000000, 0.0076793800000000 ] - [ -0.0001732400000000, 0.0000513700000000, 0.0002038200000000 ] - [ -0.0003875600000000, -0.0000553800000000, 0.0001513600000000 ] - [ 0.0011137300000000, -0.0001239600000000, 0.0000121200000000 ] - [ 0.0007178600000000, 0.0001096100000000, 0.0000374600000000 ] - [ -0.0007019800000000, 0.0018182900000000, -0.0001021100000000 ] - [ -0.0004328600000000, -0.0014749000000000, 0.0007741700000000 ] - [ 0.0004374500000000, 0.0000124600000000, -0.0003890300000000 ] - [ 0.0003667600000000, -0.0000118400000000, -0.0003727700000000 ] - [ 0.0016117600000000, -0.0026068800000000, -0.0022657400000000 ] - [ -0.0000885100000000, 0.0026131900000000, -0.0009169400000000 ] - [ -0.0005546100000000, -0.0000109900000000, -0.0003272300000000 ] - [ -0.0005291000000000, 0.0000114300000000, -0.0003284000000000 ] - [ -0.0000483700000000, -0.0000561100000000, -0.0002564000000000 ] - [ 0.0007003500000000, -0.0007601600000000, -0.0002844900000000 ] - [ -0.0009874100000000, -0.0023212800000000, -0.0047753000000000 ] - [ -0.0000868600000000, 0.0003850600000000, -0.0002043000000000 ] - [ 0.0002296200000000, -0.0000694700000000, -0.0004849500000000 ] - [ 0.0000193500000000, 0.0000735800000000, -0.0000734900000000 ] - [ 0.0013350800000000, -0.0764443200000000, 0.0831712500000000 ] - [ 0.0004834100000000, 0.0024895000000000, -0.0017411200000000 ] - [ 0.0001649800000000, 0.0001922600000000, -0.0007522400000000 ] - [ 0.0011494700000000, -0.0002120900000000, -0.0007527800000000 ] - [ -0.0002531700000000, -0.0000081600000000, 0.0008384300000000 ] - [ -0.0002203700000000, 0.0000080300000000, 0.0008432400000000 ] - [ 0.0007576000000000, 0.0141836700000000, -0.0207131100000000 ] - [ -0.0002959200000000, 0.0007628800000000, -0.0000682200000000 ] - [ -0.0007661300000000, -0.0006322300000000, 0.0002899600000000 ] - [ -0.0007854000000000, -0.0005222900000000, 0.0002761100000000 ] - [ -0.0000727500000000, -0.0002579700000000, 0.0009080400000000 ] - [ -0.0004624200000000, -0.0004809600000000, 0.0009099200000000 ] - [ 0.0001677400000000, -0.0001066500000000, -0.0003036100000000 ] - [ 0.0001819200000000, 0.0001162800000000, -0.0000770600000000 ] - [ 0.0000481200000000, 0.0010974800000000, 0.0005956300000000 ] - [ -0.0000212000000000, 0.0007894800000000, 0.0006710200000000 ] - [ -0.0002137200000000, -0.0000640400000000, 0.0014033800000000 ] - [ -0.0006050700000000, 0.0000120500000000, 0.0011956500000000 ] - [ -0.0001584500000000, 0.0019725200000000, -0.0069788100000000 ] - [ -0.0010400600000000, 0.0010054300000000, -0.0012590700000000 ] - [ -0.0004156700000000, 0.0005895500000000, 0.0008729100000000 ] - [ -0.0001427800000000, 0.0001532100000000, 0.0009492200000000 ] - [ 0.0002664900000000, 0.0004875100000000, 0.0008824900000000 ] - [ 0.0002968100000000, 0.0004950900000000, 0.0008749500000000 ] - [ -0.0001925200000000, 0.0000337100000000, 0.0000116900000000 ] - [ -0.0001841900000000, -0.0000333100000000, 0.0000214700000000 ] - [ -0.0001874400000000, 0.0007011800000000, -0.0010059200000000 ] - [ -0.0000697200000000, -0.0005482400000000, -0.0014795200000000 ] - [ 0.0007679800000000, 0.0010173400000000, -0.0004085100000000 ] - [ -0.0001325200000000, -0.0002158400000000, -0.0000930900000000 ] - [ -0.0008111600000000, 0.0005587000000000, 0.0002555000000000 ] - [ -0.0007483400000000, 0.0005900200000000, 0.0003063100000000 ] - [ -0.0009550500000000, -0.0019993800000000, 0.0014997200000000 ] - [ 0.0000974700000000, -0.0006411600000000, 0.0004560100000000 ] - [ 0.0002819700000000, -0.0005246200000000, 0.0008753300000000 ] - [ 0.0002814300000000, -0.0004580700000000, 0.0008845300000000 ] - [ 0.0038192400000000, 0.0101330400000000, 0.0074885000000000 ] - [ -0.0034627000000000, 0.0061726500000000, 0.0069951500000000 ] - [ 0.0014889000000000, -0.0001690700000000, 0.0010834700000000 ] - [ -0.0040203000000000, 0.0097983900000000, -0.0208773300000000 ] - [ -0.0004111200000000, -0.0001207500000000, -0.0012485700000000 ] - [ 0.0000999800000000, -0.0000402400000000, -0.0012496800000000 ]- atom: 57 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0015132700000000, 0.0000000000000000, 0.0005222000000000 ] - [ -0.0012958400000000, 0.0000000000000000, 0.0005305700000000 ] - [ 0.0002981700000000, -0.0010073600000000, 0.0006620600000000 ] - [ 0.0002981700000000, 0.0010073600000000, 0.0006620600000000 ] - [ -0.0033521000000000, 0.0000000000000000, 0.0004489500000000 ] - [ -0.0002975800000000, 0.0000000000000000, -0.0004688100000000 ] - [ -0.0012840300000000, -0.0013777600000000, 0.0013937000000000 ] - [ -0.0012840300000000, 0.0013777600000000, 0.0013937000000000 ] - [ -0.0010411700000000, -0.0000105600000000, 0.0005004900000000 ] - [ -0.0010411700000000, 0.0000105600000000, 0.0005004900000000 ] - [ -0.0009347300000000, 0.0010689700000000, -0.0003218500000000 ] - [ -0.0009347300000000, -0.0010689700000000, -0.0003218500000000 ] - [ 0.0717724400000000, 0.0000000000000000, 0.0467085100000000 ] - [ 0.0010614700000000, 0.0000000000000000, 0.0013350600000000 ] - [ 0.0978483800000000, 0.0000000000000000, -0.0195598100000000 ] - [ 0.0015755500000000, 0.0000000000000000, 0.0012342400000000 ] - [ -0.0026331100000000, 0.0000000000000000, 0.0010555500000000 ] - [ -0.0012376100000000, 0.0000000000000000, 0.0012132000000000 ] - [ 0.0008553200000000, 0.0012291600000000, 0.0002343100000000 ] - [ 0.0008553200000000, -0.0012291600000000, 0.0002343100000000 ] - [ -0.0012947600000000, 0.0000000000000000, 0.0004315100000000 ] - [ -0.0009883000000000, 0.0000000000000000, 0.0004109500000000 ] - [ 0.0006901100000000, 0.0061205600000000, -0.0055981100000000 ] - [ 0.0006901100000000, -0.0061205600000000, -0.0055981100000000 ] - [ 0.0091650100000000, -0.0028245800000000, -0.0003890100000000 ] - [ 0.0091650100000000, 0.0028245800000000, -0.0003890100000000 ] - [ -0.0024599000000000, 0.0000000000000000, 0.0002753200000000 ] - [ -0.0017587300000000, 0.0000000000000000, 0.0001797600000000 ] - [ -0.0028687100000000, 0.0006243100000000, 0.0001481100000000 ] - [ -0.0028687100000000, -0.0006243100000000, 0.0001481100000000 ] - [ -0.0013931400000000, 0.0000000000000000, -0.0001085500000000 ] - [ -0.0008956500000000, 0.0000000000000000, 0.0002401700000000 ] - [ -0.0018289600000000, 0.0000164200000000, 0.0009410700000000 ] - [ -0.0018289600000000, -0.0000164200000000, 0.0009410700000000 ] - [ -0.0066233900000000, 0.0000000000000000, -0.0001584000000000 ] - [ -0.0007013100000000, 0.0000000000000000, -0.0012186300000000 ] - [ -0.0036275300000000, -0.0048802100000000, -0.0017481500000000 ] - [ -0.0036275300000000, 0.0048802100000000, -0.0017481500000000 ] - [ 0.0070381400000000, 0.0000000000000000, -0.0088721200000000 ] - [ 0.0036129200000000, 0.0000000000000000, -0.0010424500000000 ] - [ -0.0016523700000000, 0.0000000000000000, 0.0029901500000000 ] - [ -0.0007566900000000, 0.0000000000000000, 0.0008849900000000 ] - [ 0.0018554300000000, 0.0000000000000000, -0.0005423300000000 ] - [ 0.0015965400000000, 0.0000000000000000, -0.0004839400000000 ] - [ 0.0005617100000000, -0.0021128100000000, -0.0001991100000000 ] - [ 0.0005617100000000, 0.0021128100000000, -0.0001991100000000 ] - [ 0.0011130200000000, 0.0001607800000000, -0.0000226000000000 ] - [ 0.0011130200000000, -0.0001607800000000, -0.0000226000000000 ] - [ 0.0015025100000000, 0.0159003800000000, 0.0191731700000000 ] - [ -0.0014912300000000, -0.0012889600000000, -0.0003566500000000 ] - [ 0.0001431500000000, -0.0013504400000000, -0.0006172100000000 ] - [ 0.0022606400000000, 0.0010770100000000, -0.0002148500000000 ] - [ 0.0012862300000000, -0.0000706900000000, 0.0001688900000000 ] - [ 0.0012862300000000, 0.0000706900000000, 0.0001688900000000 ] - [ 0.0005099800000000, -0.0007675500000000, -0.0009366300000000 ] - [ 0.0010758700000000, 0.0013837500000000, -0.0019234500000000 ] - [ -0.1527994600000000, 0.0000000000000000, -0.0586391000000000 ] - [ -0.0019822300000000, 0.0000000000000000, -0.0025137500000000 ] - [ -0.0002188400000000, 0.0002862400000000, 0.0006982600000000 ] - [ -0.0002188400000000, -0.0002862400000000, 0.0006982600000000 ] - [ 0.0001627100000000, -0.0005519300000000, -0.0008005700000000 ] - [ 0.0001627100000000, 0.0005519300000000, -0.0008005700000000 ] - [ -0.0013325100000000, 0.0004519700000000, 0.0003284800000000 ] - [ -0.0009838500000000, -0.0006115700000000, 0.0006518600000000 ] - [ 0.0005276000000000, -0.0004703500000000, 0.0010269800000000 ] - [ 0.0004440500000000, -0.0004986700000000, 0.0009914200000000 ] - [ -0.0029711900000000, -0.0000757700000000, 0.0027957400000000 ] - [ -0.0029711900000000, 0.0000757700000000, 0.0027957400000000 ] - [ 0.0019815900000000, 0.0006029600000000, 0.0001178700000000 ] - [ 0.0019241000000000, 0.0004810000000000, 0.0001523500000000 ] - [ 0.0018264200000000, 0.0000000000000000, 0.0003472900000000 ] - [ 0.0015708100000000, 0.0000000000000000, 0.0003745200000000 ] - [ 0.0022606400000000, -0.0010770100000000, -0.0002148500000000 ] - [ 0.0001431500000000, 0.0013504400000000, -0.0006172100000000 ] - [ 0.0005276000000000, 0.0004703500000000, 0.0010269800000000 ] - [ 0.0004440500000000, 0.0004986700000000, 0.0009914200000000 ] - [ 0.0028199800000000, 0.0023622400000000, 0.0001694000000000 ] - [ 0.0008486400000000, 0.0000556500000000, 0.0005570800000000 ] - [ 0.0023612300000000, 0.0000000000000000, 0.0018166000000000 ] - [ 0.0006290800000000, 0.0000000000000000, -0.0001073300000000 ] - [ -0.0138036100000000, 0.0082020700000000, -0.0000287500000000 ] - [ -0.0014919300000000, -0.0009261700000000, -0.0010603200000000 ] - [ 0.0015025100000000, -0.0159003800000000, 0.0191731700000000 ] - [ -0.0014912300000000, 0.0012889600000000, -0.0003566500000000 ] - [ -0.0009838500000000, 0.0006115700000000, 0.0006518600000000 ] - [ -0.0013325100000000, -0.0004519700000000, 0.0003284800000000 ] - [ 0.0019815900000000, -0.0006029600000000, 0.0001178700000000 ] - [ 0.0019241000000000, -0.0004810000000000, 0.0001523500000000 ] - [ 0.0008486400000000, -0.0000556500000000, 0.0005570800000000 ] - [ 0.0028199800000000, -0.0023622400000000, 0.0001694000000000 ] - [ 0.0010758700000000, -0.0013837500000000, -0.0019234500000000 ] - [ 0.0005099800000000, 0.0007675500000000, -0.0009366300000000 ] - [ 0.0018822100000000, 0.0000000000000000, -0.0002746200000000 ] - [ 0.0004206000000000, 0.0000000000000000, 0.0000022800000000 ] - [ -0.0138036100000000, -0.0082020700000000, -0.0000287500000000 ] - [ -0.0014919300000000, 0.0009261700000000, -0.0010603200000000 ]- atom: 57 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0014721300000000, 0.0000000000000000, 0.0000692800000000 ] - [ 0.0012564900000000, 0.0000000000000000, 0.0000596900000000 ] - [ -0.0006841600000000, 0.0010216300000000, -0.0005387500000000 ] - [ -0.0006841600000000, -0.0010216300000000, -0.0005387500000000 ] - [ 0.0029269000000000, 0.0000000000000000, -0.0022887200000000 ] - [ -0.0001183900000000, 0.0000000000000000, -0.0013601000000000 ] - [ 0.0013546800000000, 0.0013879000000000, -0.0008101100000000 ] - [ 0.0013546800000000, -0.0013879000000000, -0.0008101100000000 ] - [ 0.0014716500000000, 0.0000104900000000, 0.0013331100000000 ] - [ 0.0014716500000000, -0.0000104900000000, 0.0013331100000000 ] - [ 0.0005606800000000, -0.0010728500000000, 0.0001940200000000 ] - [ 0.0005606800000000, 0.0010728500000000, 0.0001940200000000 ] - [ -0.0714523300000000, 0.0000000000000000, -0.0457965300000000 ] - [ -0.0011194600000000, 0.0000000000000000, -0.0019387500000000 ] - [ -0.1035575500000000, 0.0000000000000000, 0.0186579300000000 ] - [ -0.0012091100000000, 0.0000000000000000, -0.0013741500000000 ] - [ 0.0022393000000000, 0.0000000000000000, 0.0007755900000000 ] - [ 0.0008195500000000, 0.0000000000000000, 0.0006180500000000 ] - [ -0.0007803800000000, -0.0012248100000000, -0.0008239800000000 ] - [ -0.0007803800000000, 0.0012248100000000, -0.0008239800000000 ] - [ 0.0016801500000000, 0.0000000000000000, -0.0003036000000000 ] - [ 0.0013751700000000, 0.0000000000000000, -0.0002813200000000 ] - [ -0.0002373100000000, -0.0062016800000000, 0.0037997100000000 ] - [ -0.0002373100000000, 0.0062016800000000, 0.0037997100000000 ] - [ -0.0088693800000000, 0.0028232400000000, -0.0012040600000000 ] - [ -0.0088693800000000, -0.0028232400000000, -0.0012040600000000 ] - [ 0.0034910100000000, 0.0000000000000000, 0.0000948800000000 ] - [ 0.0027873800000000, 0.0000000000000000, 0.0001909000000000 ] - [ 0.0018644700000000, -0.0006251500000000, -0.0005206100000000 ] - [ 0.0018644700000000, 0.0006251500000000, -0.0005206100000000 ] - [ 0.0010266500000000, 0.0000000000000000, 0.0016830300000000 ] - [ 0.0005248400000000, 0.0000000000000000, 0.0013308700000000 ] - [ 0.0022080500000000, -0.0000162700000000, 0.0006251300000000 ] - [ 0.0022080500000000, 0.0000162700000000, 0.0006251300000000 ] - [ 0.0062417100000000, 0.0000000000000000, -0.0014138100000000 ] - [ 0.0003376900000000, 0.0000000000000000, -0.0003507400000000 ] - [ 0.0026380400000000, 0.0049271500000000, 0.0021306500000000 ] - [ 0.0026380400000000, -0.0049271500000000, 0.0021306500000000 ] - [ -0.0060797200000000, 0.0000000000000000, 0.0085743900000000 ] - [ -0.0026294400000000, 0.0000000000000000, 0.0006741500000000 ] - [ 0.0025169700000000, 0.0000000000000000, -0.0023150200000000 ] - [ 0.0016223900000000, 0.0000000000000000, -0.0002116400000000 ] - [ -0.0009974900000000, 0.0000000000000000, -0.0001306800000000 ] - [ -0.0007371800000000, 0.0000000000000000, -0.0001891000000000 ] - [ -0.0014317000000000, 0.0021121300000000, 0.0008829200000000 ] - [ -0.0014317000000000, -0.0021121300000000, 0.0008829200000000 ] - [ -0.0019878400000000, -0.0001620200000000, -0.0006529000000000 ] - [ -0.0019878400000000, 0.0001620200000000, -0.0006529000000000 ] - [ -0.0004434700000000, -0.0174534600000000, -0.0201235200000000 ] - [ 0.0027624600000000, 0.0000029300000000, -0.0003234800000000 ] - [ -0.0013923300000000, 0.0000600500000000, -0.0000604600000000 ] - [ -0.0035141500000000, -0.0023716800000000, -0.0004646700000000 ] - [ -0.0011352500000000, 0.0000707800000000, -0.0001982200000000 ] - [ -0.0011352500000000, -0.0000707800000000, -0.0001982200000000 ] - [ 0.0001827200000000, -0.0002275500000000, -0.0007838600000000 ] - [ -0.0003761800000000, -0.0023674700000000, 0.0001965300000000 ] - [ 0.1591476200000000, 0.0000000000000000, 0.0569017000000000 ] - [ 0.0021720800000000, 0.0000000000000000, 0.0006807900000000 ] - [ 0.0000459800000000, -0.0002891800000000, 0.0011428000000000 ] - [ 0.0000459800000000, 0.0002891800000000, 0.0011428000000000 ] - [ -0.0003480200000000, 0.0005531800000000, -0.0010385000000000 ] - [ -0.0003480200000000, -0.0005531800000000, -0.0010385000000000 ] - [ 0.0000992400000000, -0.0017544100000000, 0.0003532300000000 ] - [ -0.0002578300000000, -0.0006780200000000, 0.0000219300000000 ] - [ -0.0012294000000000, -0.0005232900000000, 0.0006931700000000 ] - [ -0.0011496500000000, -0.0004991000000000, 0.0007267900000000 ] - [ 0.0031610300000000, 0.0000793500000000, -0.0027914500000000 ] - [ 0.0031610300000000, -0.0000793500000000, -0.0027914500000000 ] - [ -0.0007456500000000, 0.0006911700000000, 0.0005637600000000 ] - [ -0.0006889400000000, 0.0008117100000000, 0.0005280500000000 ] - [ -0.0016546200000000, 0.0000000000000000, 0.0014914200000000 ] - [ -0.0014037300000000, 0.0000000000000000, 0.0014713300000000 ] - [ -0.0035141500000000, 0.0023716800000000, -0.0004646700000000 ] - [ -0.0013923300000000, -0.0000600500000000, -0.0000604600000000 ] - [ -0.0012294000000000, 0.0005232900000000, 0.0006931700000000 ] - [ -0.0011496500000000, 0.0004991000000000, 0.0007267900000000 ] - [ -0.0021411800000000, -0.0013803300000000, 0.0015552400000000 ] - [ -0.0001527400000000, 0.0009435600000000, 0.0011650700000000 ] - [ -0.0025518800000000, 0.0000000000000000, -0.0018626700000000 ] - [ -0.0007888000000000, 0.0000000000000000, 0.0000788400000000 ] - [ 0.0130601600000000, -0.0072909900000000, -0.0018582600000000 ] - [ 0.0007982800000000, 0.0019336000000000, -0.0006562000000000 ] - [ -0.0004434700000000, 0.0174534600000000, -0.0201235200000000 ] - [ 0.0027624600000000, -0.0000029300000000, -0.0003234800000000 ] - [ -0.0002578300000000, 0.0006780200000000, 0.0000219300000000 ] - [ 0.0000992400000000, 0.0017544100000000, 0.0003532300000000 ] - [ -0.0007456500000000, -0.0006911700000000, 0.0005637600000000 ] - [ -0.0006889400000000, -0.0008117100000000, 0.0005280500000000 ] - [ -0.0001527400000000, -0.0009435600000000, 0.0011650700000000 ] - [ -0.0021411800000000, 0.0013803300000000, 0.0015552400000000 ] - [ -0.0003761800000000, 0.0023674700000000, 0.0001965300000000 ] - [ 0.0001827200000000, 0.0002275500000000, -0.0007838600000000 ] - [ -0.0020372600000000, 0.0000000000000000, 0.0003128000000000 ] - [ -0.0005848100000000, 0.0000000000000000, 0.0000250400000000 ] - [ 0.0130601600000000, 0.0072909900000000, -0.0018582600000000 ] - [ 0.0007982800000000, -0.0019336000000000, -0.0006562000000000 ]- atom: 57 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0000224600000000, 0.0000999400000000, 0.0002951900000000 ] - [ -0.0000230600000000, -0.0000989400000000, 0.0002946100000000 ] - [ -0.0006732100000000, -0.0000854100000000, 0.0001047900000000 ] - [ 0.0002949100000000, -0.0000810300000000, 0.0000313500000000 ] - [ -0.0002030700000000, 0.0005970300000000, -0.0009202700000000 ] - [ -0.0002087600000000, -0.0006554200000000, -0.0009186800000000 ] - [ -0.0000559500000000, 0.0000391300000000, 0.0002326600000000 ] - [ 0.0001097700000000, 0.0000461200000000, 0.0003621400000000 ] - [ 0.0001587900000000, 0.0000009000000000, 0.0009020200000000 ] - [ 0.0002573700000000, 0.0000011300000000, 0.0009300300000000 ] - [ 0.0000419700000000, -0.0000130700000000, -0.0001467700000000 ] - [ -0.0004275800000000, -0.0000117200000000, 0.0000182200000000 ] - [ -0.0000809000000000, 0.0184472000000000, -0.0005594000000000 ] - [ -0.0000205500000000, -0.0021159700000000, -0.0002978100000000 ] - [ 0.0005086600000000, 0.0173809100000000, -0.0001323500000000 ] - [ 0.0001909000000000, -0.0025200700000000, -0.0000663900000000 ] - [ -0.0002102600000000, 0.0002742400000000, 0.0009173000000000 ] - [ -0.0002038900000000, -0.0003640000000000, 0.0009185200000000 ] - [ 0.0007609300000000, 0.0000063400000000, -0.0002472200000000 ] - [ -0.0007045500000000, 0.0000075700000000, -0.0003443200000000 ] - [ 0.0001890000000000, 0.0001217900000000, 0.0000652600000000 ] - [ 0.0001904400000000, -0.0001267300000000, 0.0000692500000000 ] - [ 0.0025774200000000, -0.0040478600000000, -0.0009808500000000 ] - [ -0.0021479500000000, -0.0040165000000000, -0.0008235600000000 ] - [ -0.0023232600000000, -0.0022429400000000, -0.0044055000000000 ] - [ 0.0027579100000000, -0.0021787900000000, 0.0028593300000000 ] - [ 0.0005054600000000, 0.0001174300000000, 0.0001851800000000 ] - [ 0.0005060400000000, -0.0001105600000000, 0.0001854800000000 ] - [ -0.0001847700000000, 0.0000014200000000, -0.0002114700000000 ] - [ -0.0008393400000000, 0.0000016900000000, -0.0001618200000000 ] - [ -0.0001862400000000, 0.0003858200000000, 0.0007824200000000 ] - [ -0.0001870600000000, -0.0003564700000000, 0.0007832100000000 ] - [ 0.0001555000000000, 0.0000007700000000, 0.0008093200000000 ] - [ 0.0002135100000000, 0.0000004700000000, 0.0007570100000000 ] - [ -0.0001883400000000, 0.0004297500000000, -0.0007829100000000 ] - [ -0.0001908400000000, -0.0004618300000000, -0.0007829600000000 ] - [ -0.0023516700000000, -0.0009391700000000, -0.0000558000000000 ] - [ 0.0013364500000000, -0.0009249100000000, 0.0004194400000000 ] - [ 0.0005117900000000, 0.0038523700000000, -0.0001850900000000 ] - [ 0.0005159000000000, -0.0022347700000000, -0.0001829500000000 ] - [ 0.0004332100000000, -0.0010680700000000, 0.0003374400000000 ] - [ 0.0004349000000000, 0.0017275200000000, 0.0003319900000000 ] - [ 0.0004342600000000, -0.0000380600000000, -0.0003377100000000 ] - [ 0.0004334000000000, 0.0000353600000000, -0.0003371000000000 ] - [ -0.0010415100000000, -0.0000666700000000, 0.0001729900000000 ] - [ 0.0001768800000000, -0.0000690100000000, 0.0005033500000000 ] - [ -0.0000959300000000, -0.0000133400000000, -0.0002855800000000 ] - [ -0.0007697000000000, -0.0000138900000000, -0.0003880500000000 ] - [ 0.0123245800000000, -0.0001430800000000, 0.0043681000000000 ] - [ -0.0016673800000000, 0.0015548200000000, 0.0004836600000000 ] - [ -0.0006189400000000, -0.0004878100000000, -0.0002893400000000 ] - [ -0.0006041900000000, -0.0007907700000000, -0.0003743100000000 ] - [ 0.0000944900000000, 0.0000001900000000, -0.0000213200000000 ] - [ 0.0000648100000000, -0.0000001600000000, -0.0000085400000000 ] - [ 0.0002043600000000, -0.0000937700000000, -0.0010516500000000 ] - [ 0.0004782700000000, -0.0009431100000000, -0.0006447600000000 ] - [ -0.0000546700000000, -0.0384962100000000, -0.0006253200000000 ] - [ 0.0000879600000000, 0.0015090000000000, -0.0009180400000000 ] - [ 0.0001953400000000, 0.0000228700000000, 0.0009359600000000 ] - [ -0.0003795000000000, 0.0000208400000000, 0.0009003100000000 ] - [ -0.0006392600000000, -0.0000039300000000, -0.0007344100000000 ] - [ 0.0004653000000000, -0.0000052700000000, -0.0011083700000000 ] - [ -0.0006042100000000, -0.0002934600000000, 0.0003993600000000 ] - [ -0.0006912500000000, -0.0009605100000000, 0.0001534200000000 ] - [ -0.0003573600000000, -0.0005529400000000, 0.0008524800000000 ] - [ -0.0003411600000000, -0.0004432200000000, 0.0008692400000000 ] - [ 0.0013256700000000, 0.0004993100000000, 0.0009501800000000 ] - [ -0.0011833400000000, 0.0004891400000000, -0.0009645000000000 ] - [ 0.0006826300000000, 0.0005227900000000, 0.0002918400000000 ] - [ 0.0005624400000000, 0.0007698200000000, 0.0003911000000000 ] - [ 0.0000901100000000, -0.0000294600000000, 0.0009226600000000 ] - [ 0.0000908200000000, 0.0000309300000000, 0.0009170800000000 ] - [ -0.0006406500000000, 0.0005053900000000, -0.0003068100000000 ] - [ -0.0006234600000000, 0.0008034200000000, -0.0003906200000000 ] - [ -0.0003435300000000, 0.0004454900000000, 0.0008655400000000 ] - [ -0.0003541800000000, 0.0005491000000000, 0.0008518900000000 ] - [ 0.0004160900000000, 0.0003107500000000, 0.0008458700000000 ] - [ 0.0001795600000000, 0.0007155000000000, 0.0009228200000000 ] - [ -0.0000764600000000, -0.0004086700000000, -0.0000097300000000 ] - [ -0.0000817100000000, 0.0007214100000000, -0.0000141600000000 ] - [ 0.0051560100000000, 0.0043052500000000, 0.0131976100000000 ] - [ -0.0003677900000000, 0.0023907500000000, -0.0000951900000000 ] - [ -0.0112224600000000, 0.0011215300000000, -0.0051080300000000 ] - [ 0.0028852900000000, 0.0028447700000000, -0.0011609800000000 ] - [ -0.0005577800000000, 0.0003341500000000, 0.0005242800000000 ] - [ -0.0006460800000000, 0.0009940900000000, 0.0002791100000000 ] - [ 0.0005631800000000, -0.0007713000000000, 0.0003898500000000 ] - [ 0.0006827800000000, -0.0005211000000000, 0.0002865100000000 ] - [ 0.0005152600000000, -0.0002778100000000, 0.0007963900000000 ] - [ 0.0002915800000000, -0.0006941300000000, 0.0008725100000000 ] - [ 0.0002197800000000, 0.0000562200000000, -0.0010730600000000 ] - [ 0.0004942100000000, 0.0009011700000000, -0.0006675700000000 ] - [ -0.0000802500000000, -0.0001656700000000, 0.0000133200000000 ] - [ -0.0000781700000000, 0.0001765100000000, 0.0000150900000000 ] - [ -0.0058768000000000, 0.0033766800000000, -0.0148223100000000 ] - [ -0.0003344700000000, 0.0013908200000000, -0.0016211500000000 ]- atom: 57 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ -0.0005682000000000, 0.0000000000000000, 0.0003579500000000 ] - [ -0.0005448700000000, 0.0000000000000000, 0.0003582800000000 ] - [ 0.0004229900000000, -0.0000302600000000, -0.0002442200000000 ] - [ 0.0004229900000000, 0.0000302600000000, -0.0002442200000000 ] - [ -0.0000039300000000, 0.0000000000000000, -0.0002839400000000 ] - [ -0.0003125500000000, 0.0000000000000000, -0.0005736500000000 ] - [ -0.0004310900000000, 0.0000854200000000, 0.0007172200000000 ] - [ -0.0004310900000000, -0.0000854200000000, 0.0007172200000000 ] - [ -0.0002381200000000, 0.0000204100000000, 0.0006976000000000 ] - [ -0.0002381200000000, -0.0000204100000000, 0.0006976000000000 ] - [ -0.0003504600000000, 0.0004782600000000, -0.0002883600000000 ] - [ -0.0003504600000000, -0.0004782600000000, -0.0002883600000000 ] - [ 0.0577763900000000, 0.0000000000000000, 0.1150121900000000 ] - [ -0.0001099800000000, 0.0000000000000000, 0.0024241900000000 ] - [ -0.0250725300000000, 0.0000000000000000, 0.0138511900000000 ] - [ 0.0011488800000000, 0.0000000000000000, 0.0015449300000000 ] - [ -0.0005691300000000, 0.0000000000000000, 0.0013876000000000 ] - [ -0.0007807500000000, 0.0000000000000000, 0.0015083200000000 ] - [ 0.0004786600000000, -0.0000210300000000, -0.0002883500000000 ] - [ 0.0004786600000000, 0.0000210300000000, -0.0002883500000000 ] - [ -0.0002637500000000, 0.0000000000000000, 0.0002164800000000 ] - [ -0.0002392500000000, 0.0000000000000000, 0.0002086700000000 ] - [ -0.0020215400000000, 0.0093724600000000, -0.0067214000000000 ] - [ -0.0020215400000000, -0.0093724600000000, -0.0067214000000000 ] - [ 0.0006964000000000, -0.0057607300000000, -0.0047967200000000 ] - [ 0.0006964000000000, 0.0057607300000000, -0.0047967200000000 ] - [ -0.0005469000000000, 0.0000000000000000, 0.0002516900000000 ] - [ -0.0003054200000000, 0.0000000000000000, 0.0001801900000000 ] - [ -0.0013734700000000, 0.0001015600000000, 0.0000522300000000 ] - [ -0.0013734700000000, -0.0001015600000000, 0.0000522300000000 ] - [ -0.0004998500000000, 0.0000000000000000, 0.0003694800000000 ] - [ -0.0004221400000000, 0.0000000000000000, 0.0002675500000000 ] - [ -0.0005007700000000, 0.0000239500000000, 0.0008790200000000 ] - [ -0.0005007700000000, -0.0000239500000000, 0.0008790200000000 ] - [ -0.0028548500000000, 0.0000000000000000, -0.0004462900000000 ] - [ -0.0005501900000000, 0.0000000000000000, -0.0009499500000000 ] - [ -0.0033589000000000, -0.0021308100000000, -0.0007663600000000 ] - [ -0.0033589000000000, 0.0021308100000000, -0.0007663600000000 ] - [ 0.0036706200000000, 0.0000000000000000, -0.0078695100000000 ] - [ 0.0021312100000000, 0.0000000000000000, -0.0015739300000000 ] - [ -0.0013742500000000, 0.0000000000000000, 0.0054216800000000 ] - [ -0.0002080900000000, 0.0000000000000000, 0.0015952500000000 ] - [ 0.0008789700000000, 0.0000000000000000, -0.0004045000000000 ] - [ 0.0008432300000000, 0.0000000000000000, -0.0003915200000000 ] - [ 0.0001974600000000, -0.0009842600000000, -0.0004815900000000 ] - [ 0.0001974600000000, 0.0009842600000000, -0.0004815900000000 ] - [ 0.0005371000000000, -0.0000468200000000, -0.0001939900000000 ] - [ 0.0005371000000000, 0.0000468200000000, -0.0001939900000000 ] - [ 0.0183394300000000, 0.0096655600000000, 0.0093172300000000 ] - [ 0.0016297800000000, -0.0019167000000000, -0.0003779000000000 ] - [ -0.0003418300000000, -0.0008750400000000, -0.0004358100000000 ] - [ 0.0005866100000000, 0.0002019900000000, -0.0002820100000000 ] - [ 0.0005341100000000, -0.0000381700000000, 0.0000488200000000 ] - [ 0.0005341100000000, 0.0000381700000000, 0.0000488200000000 ] - [ 0.0003716300000000, -0.0004487900000000, -0.0010280200000000 ] - [ 0.0003020100000000, -0.0003234600000000, -0.0010271600000000 ] - [ -0.0595466300000000, 0.0000000000000000, -0.1780595300000000 ] - [ -0.0015090100000000, 0.0000000000000000, -0.0028731300000000 ] - [ -0.0003194600000000, 0.0000200100000000, 0.0008822700000000 ] - [ -0.0003194600000000, -0.0000200100000000, 0.0008822700000000 ] - [ -0.0002103700000000, -0.0001875000000000, -0.0006661300000000 ] - [ -0.0002103700000000, 0.0001875000000000, -0.0006661300000000 ] - [ -0.0011408000000000, -0.0003989100000000, 0.0008299700000000 ] - [ -0.0008838300000000, -0.0005553300000000, 0.0008354200000000 ] - [ -0.0000335600000000, -0.0004939600000000, 0.0009438900000000 ] - [ -0.0000541300000000, -0.0004765100000000, 0.0009360600000000 ] - [ -0.0018388200000000, -0.0016946200000000, 0.0065410700000000 ] - [ -0.0018388200000000, 0.0016946200000000, 0.0065410700000000 ] - [ 0.0010868800000000, 0.0006015800000000, 0.0002373000000000 ] - [ 0.0010750700000000, 0.0005745900000000, 0.0002716600000000 ] - [ 0.0006711400000000, 0.0000000000000000, 0.0007128500000000 ] - [ 0.0006451200000000, 0.0000000000000000, 0.0007243900000000 ] - [ 0.0005866100000000, -0.0002019900000000, -0.0002820100000000 ] - [ -0.0003418300000000, 0.0008750400000000, -0.0004358100000000 ] - [ -0.0000335600000000, 0.0004939600000000, 0.0009438900000000 ] - [ -0.0000541300000000, 0.0004765100000000, 0.0009360600000000 ] - [ 0.0005671600000000, 0.0005548600000000, 0.0005803000000000 ] - [ 0.0007033300000000, 0.0005724700000000, 0.0003763000000000 ] - [ 0.0006847400000000, 0.0000000000000000, -0.0000484400000000 ] - [ 0.0006734900000000, 0.0000000000000000, -0.0000629800000000 ] - [ 0.0000463700000000, 0.0207005500000000, 0.0189793200000000 ] - [ -0.0009174300000000, -0.0013732300000000, -0.0017157100000000 ] - [ 0.0183394300000000, -0.0096655600000000, 0.0093172300000000 ] - [ 0.0016297800000000, 0.0019167000000000, -0.0003779000000000 ] - [ -0.0008838300000000, 0.0005553300000000, 0.0008354200000000 ] - [ -0.0011408000000000, 0.0003989100000000, 0.0008299700000000 ] - [ 0.0010868800000000, -0.0006015800000000, 0.0002373000000000 ] - [ 0.0010750700000000, -0.0005745900000000, 0.0002716600000000 ] - [ 0.0007033300000000, -0.0005724700000000, 0.0003763000000000 ] - [ 0.0005671600000000, -0.0005548600000000, 0.0005803000000000 ] - [ 0.0003020100000000, 0.0003234600000000, -0.0010271600000000 ] - [ 0.0003716300000000, 0.0004487900000000, -0.0010280200000000 ] - [ -0.0000894500000000, 0.0000000000000000, -0.0004409800000000 ] - [ 0.0001271200000000, 0.0000000000000000, -0.0000383800000000 ] - [ 0.0000463700000000, -0.0207005500000000, 0.0189793200000000 ] - [ -0.0009174300000000, 0.0013732300000000, -0.0017157100000000 ]- atom: 57 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0004973900000000, 0.0000000000000000, 0.0002396400000000 ] - [ 0.0004888200000000, 0.0000000000000000, 0.0002386100000000 ] - [ -0.0007974100000000, 0.0000225700000000, 0.0003853500000000 ] - [ -0.0007974100000000, -0.0000225700000000, 0.0003853500000000 ] - [ -0.0004174500000000, 0.0000000000000000, -0.0015499200000000 ] - [ -0.0001196500000000, 0.0000000000000000, -0.0012630200000000 ] - [ 0.0004893000000000, -0.0000986000000000, -0.0001152600000000 ] - [ 0.0004893000000000, 0.0000986000000000, -0.0001152600000000 ] - [ 0.0006590400000000, -0.0000212400000000, 0.0011334200000000 ] - [ 0.0006590400000000, 0.0000212400000000, 0.0011334200000000 ] - [ -0.0000343400000000, -0.0004764700000000, 0.0001578200000000 ] - [ -0.0000343400000000, 0.0004764700000000, 0.0001578200000000 ] - [ -0.0540275900000000, 0.0000000000000000, -0.1094062000000000 ] - [ 0.0000312200000000, 0.0000000000000000, -0.0029934900000000 ] - [ 0.0258003000000000, 0.0000000000000000, -0.0143923700000000 ] - [ -0.0007591100000000, 0.0000000000000000, -0.0016677100000000 ] - [ 0.0001234400000000, 0.0000000000000000, 0.0004432700000000 ] - [ 0.0003540700000000, 0.0000000000000000, 0.0003229900000000 ] - [ -0.0004183500000000, 0.0000226900000000, -0.0003071600000000 ] - [ -0.0004183500000000, -0.0000226900000000, -0.0003071600000000 ] - [ 0.0006392100000000, 0.0000000000000000, -0.0000825400000000 ] - [ 0.0006165300000000, 0.0000000000000000, -0.0000763000000000 ] - [ 0.0024025800000000, -0.0093039000000000, 0.0048352800000000 ] - [ 0.0024025800000000, 0.0093039000000000, 0.0048352800000000 ] - [ -0.0002761000000000, 0.0057482900000000, 0.0032016600000000 ] - [ -0.0002761000000000, -0.0057482900000000, 0.0032016600000000 ] - [ 0.0015535000000000, 0.0000000000000000, 0.0001201900000000 ] - [ 0.0013133300000000, 0.0000000000000000, 0.0001915900000000 ] - [ 0.0003445600000000, -0.0001003800000000, -0.0004225900000000 ] - [ 0.0003445600000000, 0.0001003800000000, -0.0004225900000000 ] - [ 0.0001181700000000, 0.0000000000000000, 0.0011906500000000 ] - [ 0.0000434500000000, 0.0000000000000000, 0.0012989800000000 ] - [ 0.0008723100000000, -0.0000242200000000, 0.0006852500000000 ] - [ 0.0008723100000000, 0.0000242200000000, 0.0006852500000000 ] - [ 0.0024304900000000, 0.0000000000000000, -0.0011149000000000 ] - [ 0.0001651200000000, 0.0000000000000000, -0.0006148000000000 ] - [ 0.0023356000000000, 0.0021019900000000, 0.0011222600000000 ] - [ 0.0023356000000000, -0.0021019900000000, 0.0011222600000000 ] - [ -0.0025903600000000, 0.0000000000000000, 0.0074279000000000 ] - [ -0.0010867800000000, 0.0000000000000000, 0.0011970200000000 ] - [ 0.0022615300000000, 0.0000000000000000, -0.0047578000000000 ] - [ 0.0010746500000000, 0.0000000000000000, -0.0009110600000000 ] - [ -0.0000020900000000, 0.0000000000000000, -0.0002727000000000 ] - [ 0.0000311500000000, 0.0000000000000000, -0.0002847500000000 ] - [ -0.0010658300000000, 0.0009871500000000, 0.0011538400000000 ] - [ -0.0010658300000000, -0.0009871500000000, 0.0011538400000000 ] - [ -0.0014031900000000, 0.0000479000000000, -0.0004801200000000 ] - [ -0.0014031900000000, -0.0000479000000000, -0.0004801200000000 ] - [ -0.0173396000000000, -0.0110291000000000, -0.0099334000000000 ] - [ -0.0004011700000000, 0.0006206300000000, -0.0003015000000000 ] - [ -0.0008981700000000, -0.0004207100000000, -0.0002470700000000 ] - [ -0.0018194200000000, -0.0014904000000000, -0.0004005500000000 ] - [ -0.0003692300000000, 0.0000385100000000, -0.0000776600000000 ] - [ -0.0003692300000000, -0.0000385100000000, -0.0000776600000000 ] - [ 0.0003268100000000, -0.0005462100000000, -0.0006915300000000 ] - [ 0.0003932300000000, -0.0006732600000000, -0.0006905000000000 ] - [ 0.0560373600000000, 0.0000000000000000, 0.1695195700000000 ] - [ 0.0016806700000000, 0.0000000000000000, 0.0010214100000000 ] - [ 0.0001302600000000, -0.0000169200000000, 0.0009553800000000 ] - [ 0.0001302600000000, 0.0000169200000000, 0.0009553800000000 ] - [ 0.0000313000000000, 0.0001866400000000, -0.0011756800000000 ] - [ 0.0000313000000000, -0.0001866400000000, -0.0011756800000000 ] - [ -0.0001097000000000, -0.0008863300000000, -0.0001518200000000 ] - [ -0.0003668300000000, -0.0007379400000000, -0.0001569300000000 ] - [ -0.0006574500000000, -0.0004977800000000, 0.0007773800000000 ] - [ -0.0006403400000000, -0.0005200900000000, 0.0007833400000000 ] - [ 0.0019709100000000, 0.0016779600000000, -0.0064302500000000 ] - [ 0.0019709100000000, -0.0016779600000000, -0.0064302500000000 ] - [ 0.0001639600000000, 0.0006911400000000, 0.0004420300000000 ] - [ 0.0001754000000000, 0.0007189500000000, 0.0004084400000000 ] - [ -0.0004788800000000, 0.0000000000000000, 0.0011251600000000 ] - [ -0.0004568100000000, 0.0000000000000000, 0.0011192800000000 ] - [ -0.0018194200000000, 0.0014904000000000, -0.0004005500000000 ] - [ -0.0008981700000000, 0.0004207100000000, -0.0002470700000000 ] - [ -0.0006574500000000, 0.0004977800000000, 0.0007773800000000 ] - [ -0.0006403400000000, 0.0005200900000000, 0.0007833400000000 ] - [ 0.0001483000000000, 0.0004556000000000, 0.0011365500000000 ] - [ -0.0000079100000000, 0.0004179200000000, 0.0013435200000000 ] - [ -0.0008312600000000, 0.0000000000000000, 0.0000342200000000 ] - [ -0.0008351900000000, 0.0000000000000000, 0.0000321400000000 ] - [ -0.0007115800000000, -0.0193262500000000, -0.0202586300000000 ] - [ 0.0002194600000000, 0.0023400500000000, -0.0000151300000000 ] - [ -0.0173396000000000, 0.0110291000000000, -0.0099334000000000 ] - [ -0.0004011700000000, -0.0006206300000000, -0.0003015000000000 ] - [ -0.0003668300000000, 0.0007379400000000, -0.0001569300000000 ] - [ -0.0001097000000000, 0.0008863300000000, -0.0001518200000000 ] - [ 0.0001639600000000, -0.0006911400000000, 0.0004420300000000 ] - [ 0.0001754000000000, -0.0007189500000000, 0.0004084400000000 ] - [ -0.0000079100000000, -0.0004179200000000, 0.0013435200000000 ] - [ 0.0001483000000000, -0.0004556000000000, 0.0011365500000000 ] - [ 0.0003932300000000, 0.0006732600000000, -0.0006905000000000 ] - [ 0.0003268100000000, 0.0005462100000000, -0.0006915300000000 ] - [ -0.0000642200000000, 0.0000000000000000, 0.0004643700000000 ] - [ -0.0002837800000000, 0.0000000000000000, 0.0000691400000000 ] - [ -0.0007115800000000, 0.0193262500000000, -0.0202586300000000 ] - [ 0.0002194600000000, -0.0023400500000000, -0.0000151300000000 ]