# Fileset [phonopy_params.yaml.xz](https://mdr.nims.go.jp/filesets/960969ae-a109-4929-a2e6-82e237d4e7dd/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 Li3SbS3 / P2_1/c (14) / materials id 775806](https://mdr.nims.go.jp/datasets/763412ec-313e-4556-ba4e-fc6e1598a38e) ## 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: "P2_1/c" number: 14 Hall_symbol: "-P 2ybc"supercell_matrix:- [ 2, 0, 0 ]- [ 0, 1, 0 ]- [ 0, 0, 1 ]primitive_cell: lattice: - [ 8.197654410000000, 0.000000000000000, -0.414302390000000 ] # a - [ 0.000000000000000, 10.341271409999999, 0.000000000000000 ] # b - [ -1.030299750000000, 0.000000000000000, 13.315006690000001 ] # c points: - symbol: Li # 1 coordinates: [ 0.582341620000000, 0.950889560000000, 0.904835230000000 ] mass: 6.941000 - symbol: Li # 2 coordinates: [ 0.582341620000000, 0.549110440000000, 0.404835230000000 ] mass: 6.941000 - symbol: Li # 3 coordinates: [ 0.735136720000000, 0.119724600000000, 0.709584370000000 ] mass: 6.941000 - symbol: Li # 4 coordinates: [ 0.735136720000000, 0.380275400000000, 0.209584370000000 ] mass: 6.941000 - symbol: Li # 5 coordinates: [ 0.607322510000000, 0.571552750000000, 0.910692280000000 ] mass: 6.941000 - symbol: Li # 6 coordinates: [ 0.607322510000000, 0.928447250000000, 0.410692280000000 ] mass: 6.941000 - symbol: Li # 7 coordinates: [ 0.768256580000000, 0.402826810000000, 0.699200510000000 ] mass: 6.941000 - symbol: Li # 8 coordinates: [ 0.768256580000000, 0.097173190000000, 0.199200510000000 ] mass: 6.941000 - symbol: Li # 9 coordinates: [ 0.915683030000000, 0.883984060000000, 0.999889740000000 ] mass: 6.941000 - symbol: Li # 10 coordinates: [ 0.915683030000000, 0.616015940000000, 0.499889740000000 ] mass: 6.941000 - symbol: Li # 11 coordinates: [ 0.899744210000000, 0.020124010000000, 0.562546160000000 ] mass: 6.941000 - symbol: Li # 12 coordinates: [ 0.899744210000000, 0.479875990000000, 0.062546160000000 ] mass: 6.941000 - symbol: Li # 13 coordinates: [ 0.100255790000000, 0.520124010000000, 0.937453840000000 ] mass: 6.941000 - symbol: Li # 14 coordinates: [ 0.100255790000000, 0.979875990000000, 0.437453840000000 ] mass: 6.941000 - symbol: Li # 15 coordinates: [ 0.084316970000000, 0.383984060000000, 0.500110260000000 ] mass: 6.941000 - symbol: Li # 16 coordinates: [ 0.084316970000000, 0.116015940000000, 0.000110260000000 ] mass: 6.941000 - symbol: Li # 17 coordinates: [ 0.231743420000000, 0.902826810000000, 0.800799490000000 ] mass: 6.941000 - symbol: Li # 18 coordinates: [ 0.231743420000000, 0.597173190000000, 0.300799490000000 ] mass: 6.941000 - symbol: Li # 19 coordinates: [ 0.392677490000000, 0.071552750000000, 0.589307720000000 ] mass: 6.941000 - symbol: Li # 20 coordinates: [ 0.392677490000000, 0.428447250000000, 0.089307720000000 ] mass: 6.941000 - symbol: Li # 21 coordinates: [ 0.264863280000000, 0.619724600000000, 0.790415630000000 ] mass: 6.941000 - symbol: Li # 22 coordinates: [ 0.264863280000000, 0.880275400000000, 0.290415630000000 ] mass: 6.941000 - symbol: Li # 23 coordinates: [ 0.417658380000000, 0.450889560000000, 0.595164770000000 ] mass: 6.941000 - symbol: Li # 24 coordinates: [ 0.417658380000000, 0.049110440000000, 0.095164770000000 ] mass: 6.941000 - symbol: Sb # 25 coordinates: [ 0.712964760000000, 0.247091750000000, 0.953637080000000 ] mass: 121.760000 - symbol: Sb # 26 coordinates: [ 0.712964760000000, 0.252908250000000, 0.453637080000000 ] mass: 121.760000 - symbol: Sb # 27 coordinates: [ 0.736400020000000, 0.760162140000000, 0.709228590000000 ] mass: 121.760000 - symbol: Sb # 28 coordinates: [ 0.736400020000000, 0.739837860000000, 0.209228590000000 ] mass: 121.760000 - symbol: Sb # 29 coordinates: [ 0.263599980000000, 0.260162140000000, 0.790771410000000 ] mass: 121.760000 - symbol: Sb # 30 coordinates: [ 0.263599980000000, 0.239837860000000, 0.290771410000000 ] mass: 121.760000 - symbol: Sb # 31 coordinates: [ 0.287035240000000, 0.747091750000000, 0.546362920000000 ] mass: 121.760000 - symbol: Sb # 32 coordinates: [ 0.287035240000000, 0.752908250000000, 0.046362920000000 ] mass: 121.760000 - symbol: S # 33 coordinates: [ 0.504903650000000, 0.758363870000000, 0.808930380000000 ] mass: 32.065000 - symbol: S # 34 coordinates: [ 0.504903650000000, 0.741636130000000, 0.308930380000000 ] mass: 32.065000 - symbol: S # 35 coordinates: [ 0.645018010000000, 0.940249310000000, 0.597266720000000 ] mass: 32.065000 - symbol: S # 36 coordinates: [ 0.645018010000000, 0.559750690000000, 0.097266720000000 ] mass: 32.065000 - symbol: S # 37 coordinates: [ 0.669750680000000, 0.580535770000000, 0.589941780000000 ] mass: 32.065000 - symbol: S # 38 coordinates: [ 0.669750680000000, 0.919464230000000, 0.089941780000000 ] mass: 32.065000 - symbol: S # 39 coordinates: [ 0.842609840000000, 0.061899270000000, 0.876656090000000 ] mass: 32.065000 - symbol: S # 40 coordinates: [ 0.838390750000000, 0.434740630000000, 0.877140890000000 ] mass: 32.065000 - symbol: S # 41 coordinates: [ 0.842609840000000, 0.438100730000000, 0.376656090000000 ] mass: 32.065000 - symbol: S # 42 coordinates: [ 0.838390750000000, 0.065259370000000, 0.377140890000000 ] mass: 32.065000 - symbol: S # 43 coordinates: [ 0.916356800000000, 0.246937900000000, 0.607242090000000 ] mass: 32.065000 - symbol: S # 44 coordinates: [ 0.916356800000000, 0.253062100000000, 0.107242090000000 ] mass: 32.065000 - symbol: S # 45 coordinates: [ 0.083643200000000, 0.746937900000000, 0.892757910000000 ] mass: 32.065000 - symbol: S # 46 coordinates: [ 0.083643200000000, 0.753062100000000, 0.392757910000000 ] mass: 32.065000 - symbol: S # 47 coordinates: [ 0.161609250000000, 0.934740630000000, 0.622859110000000 ] mass: 32.065000 - symbol: S # 48 coordinates: [ 0.157390160000000, 0.561899270000000, 0.623343910000000 ] mass: 32.065000 - symbol: S # 49 coordinates: [ 0.161609250000000, 0.565259370000000, 0.122859110000000 ] mass: 32.065000 - symbol: S # 50 coordinates: [ 0.157390160000000, 0.938100730000000, 0.123343910000000 ] mass: 32.065000 - symbol: S # 51 coordinates: [ 0.330249320000000, 0.080535770000000, 0.910058220000000 ] mass: 32.065000 - symbol: S # 52 coordinates: [ 0.330249320000000, 0.419464230000000, 0.410058220000000 ] mass: 32.065000 - symbol: S # 53 coordinates: [ 0.354981990000000, 0.440249310000000, 0.902733280000000 ] mass: 32.065000 - symbol: S # 54 coordinates: [ 0.354981990000000, 0.059750690000000, 0.402733280000000 ] mass: 32.065000 - symbol: S # 55 coordinates: [ 0.495096350000000, 0.258363870000000, 0.691069620000000 ] mass: 32.065000 - symbol: S # 56 coordinates: [ 0.495096350000000, 0.241636130000000, 0.191069620000000 ] mass: 32.065000 reciprocal_lattice: # without 2pi - [ 0.122465032423074, 0.000000000000000, 0.009476201944682 ] # a* - [ 0.000000000000000, 0.096699908585032, 0.000000000000000 ] # b* - [ 0.003810554272001, 0.000000000000000, 0.075398085520136 ] # c*unit_cell: lattice: - [ 8.197654410000000, 0.000000000000000, -0.414302390000000 ] # a - [ 0.000000000000000, 10.341271409999999, 0.000000000000000 ] # b - [ -1.030299750000000, 0.000000000000000, 13.315006690000001 ] # c points: - symbol: Li # 1 coordinates: [ 0.582341620000000, 0.950889560000000, 0.904835230000000 ] mass: 6.941000 reduced_to: 1 - symbol: Li # 2 coordinates: [ 0.582341620000000, 0.549110440000000, 0.404835230000000 ] mass: 6.941000 reduced_to: 2 - symbol: Li # 3 coordinates: [ 0.735136720000000, 0.119724600000000, 0.709584370000000 ] mass: 6.941000 reduced_to: 3 - symbol: Li # 4 coordinates: [ 0.735136720000000, 0.380275400000000, 0.209584370000000 ] mass: 6.941000 reduced_to: 4 - symbol: Li # 5 coordinates: [ 0.607322510000000, 0.571552750000000, 0.910692280000000 ] mass: 6.941000 reduced_to: 5 - symbol: Li # 6 coordinates: [ 0.607322510000000, 0.928447250000000, 0.410692280000000 ] mass: 6.941000 reduced_to: 6 - symbol: Li # 7 coordinates: [ 0.768256580000000, 0.402826810000000, 0.699200510000000 ] mass: 6.941000 reduced_to: 7 - symbol: Li # 8 coordinates: [ 0.768256580000000, 0.097173190000000, 0.199200510000000 ] mass: 6.941000 reduced_to: 8 - symbol: Li # 9 coordinates: [ 0.915683030000000, 0.883984060000000, 0.999889740000000 ] mass: 6.941000 reduced_to: 9 - symbol: Li # 10 coordinates: [ 0.915683030000000, 0.616015940000000, 0.499889740000000 ] mass: 6.941000 reduced_to: 10 - symbol: Li # 11 coordinates: [ 0.899744210000000, 0.020124010000000, 0.562546160000000 ] mass: 6.941000 reduced_to: 11 - symbol: Li # 12 coordinates: [ 0.899744210000000, 0.479875990000000, 0.062546160000000 ] mass: 6.941000 reduced_to: 12 - symbol: Li # 13 coordinates: [ 0.100255790000000, 0.520124010000000, 0.937453840000000 ] mass: 6.941000 reduced_to: 13 - symbol: Li # 14 coordinates: [ 0.100255790000000, 0.979875990000000, 0.437453840000000 ] mass: 6.941000 reduced_to: 14 - symbol: Li # 15 coordinates: [ 0.084316970000000, 0.383984060000000, 0.500110260000000 ] mass: 6.941000 reduced_to: 15 - symbol: Li # 16 coordinates: [ 0.084316970000000, 0.116015940000000, 0.000110260000000 ] mass: 6.941000 reduced_to: 16 - symbol: Li # 17 coordinates: [ 0.231743420000000, 0.902826810000000, 0.800799490000000 ] mass: 6.941000 reduced_to: 17 - symbol: Li # 18 coordinates: [ 0.231743420000000, 0.597173190000000, 0.300799490000000 ] mass: 6.941000 reduced_to: 18 - symbol: Li # 19 coordinates: [ 0.392677490000000, 0.071552750000000, 0.589307720000000 ] mass: 6.941000 reduced_to: 19 - symbol: Li # 20 coordinates: [ 0.392677490000000, 0.428447250000000, 0.089307720000000 ] mass: 6.941000 reduced_to: 20 - symbol: Li # 21 coordinates: [ 0.264863280000000, 0.619724600000000, 0.790415630000000 ] mass: 6.941000 reduced_to: 21 - symbol: Li # 22 coordinates: [ 0.264863280000000, 0.880275400000000, 0.290415630000000 ] mass: 6.941000 reduced_to: 22 - symbol: Li # 23 coordinates: [ 0.417658380000000, 0.450889560000000, 0.595164770000000 ] mass: 6.941000 reduced_to: 23 - symbol: Li # 24 coordinates: [ 0.417658380000000, 0.049110440000000, 0.095164770000000 ] mass: 6.941000 reduced_to: 24 - symbol: Sb # 25 coordinates: [ 0.712964760000000, 0.247091750000000, 0.953637080000000 ] mass: 121.760000 reduced_to: 25 - symbol: Sb # 26 coordinates: [ 0.712964760000000, 0.252908250000000, 0.453637080000000 ] mass: 121.760000 reduced_to: 26 - symbol: Sb # 27 coordinates: [ 0.736400020000000, 0.760162140000000, 0.709228590000000 ] mass: 121.760000 reduced_to: 27 - symbol: Sb # 28 coordinates: [ 0.736400020000000, 0.739837860000000, 0.209228590000000 ] mass: 121.760000 reduced_to: 28 - symbol: Sb # 29 coordinates: [ 0.263599980000000, 0.260162140000000, 0.790771410000000 ] mass: 121.760000 reduced_to: 29 - symbol: Sb # 30 coordinates: [ 0.263599980000000, 0.239837860000000, 0.290771410000000 ] mass: 121.760000 reduced_to: 30 - symbol: Sb # 31 coordinates: [ 0.287035240000000, 0.747091750000000, 0.546362920000000 ] mass: 121.760000 reduced_to: 31 - symbol: Sb # 32 coordinates: [ 0.287035240000000, 0.752908250000000, 0.046362920000000 ] mass: 121.760000 reduced_to: 32 - symbol: S # 33 coordinates: [ 0.504903650000000, 0.758363870000000, 0.808930380000000 ] mass: 32.065000 reduced_to: 33 - symbol: S # 34 coordinates: [ 0.504903650000000, 0.741636130000000, 0.308930380000000 ] mass: 32.065000 reduced_to: 34 - symbol: S # 35 coordinates: [ 0.645018010000000, 0.940249310000000, 0.597266720000000 ] mass: 32.065000 reduced_to: 35 - symbol: S # 36 coordinates: [ 0.645018010000000, 0.559750690000000, 0.097266720000000 ] mass: 32.065000 reduced_to: 36 - symbol: S # 37 coordinates: [ 0.669750680000000, 0.580535770000000, 0.589941780000000 ] mass: 32.065000 reduced_to: 37 - symbol: S # 38 coordinates: [ 0.669750680000000, 0.919464230000000, 0.089941780000000 ] mass: 32.065000 reduced_to: 38 - symbol: S # 39 coordinates: [ 0.842609840000000, 0.061899270000000, 0.876656090000000 ] mass: 32.065000 reduced_to: 39 - symbol: S # 40 coordinates: [ 0.838390750000000, 0.434740630000000, 0.877140890000000 ] mass: 32.065000 reduced_to: 40 - symbol: S # 41 coordinates: [ 0.842609840000000, 0.438100730000000, 0.376656090000000 ] mass: 32.065000 reduced_to: 41 - symbol: S # 42 coordinates: [ 0.838390750000000, 0.065259370000000, 0.377140890000000 ] mass: 32.065000 reduced_to: 42 - symbol: S # 43 coordinates: [ 0.916356800000000, 0.246937900000000, 0.607242090000000 ] mass: 32.065000 reduced_to: 43 - symbol: S # 44 coordinates: [ 0.916356800000000, 0.253062100000000, 0.107242090000000 ] mass: 32.065000 reduced_to: 44 - symbol: S # 45 coordinates: [ 0.083643200000000, 0.746937900000000, 0.892757910000000 ] mass: 32.065000 reduced_to: 45 - symbol: S # 46 coordinates: [ 0.083643200000000, 0.753062100000000, 0.392757910000000 ] mass: 32.065000 reduced_to: 46 - symbol: S # 47 coordinates: [ 0.161609250000000, 0.934740630000000, 0.622859110000000 ] mass: 32.065000 reduced_to: 47 - symbol: S # 48 coordinates: [ 0.157390160000000, 0.561899270000000, 0.623343910000000 ] mass: 32.065000 reduced_to: 48 - symbol: S # 49 coordinates: [ 0.161609250000000, 0.565259370000000, 0.122859110000000 ] mass: 32.065000 reduced_to: 49 - symbol: S # 50 coordinates: [ 0.157390160000000, 0.938100730000000, 0.123343910000000 ] mass: 32.065000 reduced_to: 50 - symbol: S # 51 coordinates: [ 0.330249320000000, 0.080535770000000, 0.910058220000000 ] mass: 32.065000 reduced_to: 51 - symbol: S # 52 coordinates: [ 0.330249320000000, 0.419464230000000, 0.410058220000000 ] mass: 32.065000 reduced_to: 52 - symbol: S # 53 coordinates: [ 0.354981990000000, 0.440249310000000, 0.902733280000000 ] mass: 32.065000 reduced_to: 53 - symbol: S # 54 coordinates: [ 0.354981990000000, 0.059750690000000, 0.402733280000000 ] mass: 32.065000 reduced_to: 54 - symbol: S # 55 coordinates: [ 0.495096350000000, 0.258363870000000, 0.691069620000000 ] mass: 32.065000 reduced_to: 55 - symbol: S # 56 coordinates: [ 0.495096350000000, 0.241636130000000, 0.191069620000000 ] mass: 32.065000 reduced_to: 56supercell: lattice: - [ 16.395308820000000, 0.000000000000000, -0.828604780000000 ] # a - [ 0.000000000000000, 10.341271409999999, 0.000000000000000 ] # b - [ -1.030299750000000, 0.000000000000000, 13.315006690000001 ] # c points: - symbol: Li # 1 coordinates: [ 0.291170810000000, 0.950889560000000, 0.904835230000000 ] mass: 6.941000 reduced_to: 1 - symbol: Li # 2 coordinates: [ 0.791170810000000, 0.950889560000000, 0.904835230000000 ] mass: 6.941000 reduced_to: 1 - symbol: Li # 3 coordinates: [ 0.291170810000000, 0.549110440000000, 0.404835230000000 ] mass: 6.941000 reduced_to: 3 - symbol: Li # 4 coordinates: [ 0.791170810000000, 0.549110440000000, 0.404835230000000 ] mass: 6.941000 reduced_to: 3 - symbol: Li # 5 coordinates: [ 0.367568360000000, 0.119724600000000, 0.709584370000000 ] mass: 6.941000 reduced_to: 5 - symbol: Li # 6 coordinates: [ 0.867568360000000, 0.119724600000000, 0.709584370000000 ] mass: 6.941000 reduced_to: 5 - symbol: Li # 7 coordinates: [ 0.367568360000000, 0.380275400000000, 0.209584370000000 ] mass: 6.941000 reduced_to: 7 - symbol: Li # 8 coordinates: [ 0.867568360000000, 0.380275400000000, 0.209584370000000 ] mass: 6.941000 reduced_to: 7 - symbol: Li # 9 coordinates: [ 0.303661255000000, 0.571552750000000, 0.910692280000000 ] mass: 6.941000 reduced_to: 9 - symbol: Li # 10 coordinates: [ 0.803661255000000, 0.571552750000000, 0.910692280000000 ] mass: 6.941000 reduced_to: 9 - symbol: Li # 11 coordinates: [ 0.303661255000000, 0.928447250000000, 0.410692280000000 ] mass: 6.941000 reduced_to: 11 - symbol: Li # 12 coordinates: [ 0.803661255000000, 0.928447250000000, 0.410692280000000 ] mass: 6.941000 reduced_to: 11 - symbol: Li # 13 coordinates: [ 0.384128290000000, 0.402826810000000, 0.699200510000000 ] mass: 6.941000 reduced_to: 13 - symbol: Li # 14 coordinates: [ 0.884128290000000, 0.402826810000000, 0.699200510000000 ] mass: 6.941000 reduced_to: 13 - symbol: Li # 15 coordinates: [ 0.384128290000000, 0.097173190000000, 0.199200510000000 ] mass: 6.941000 reduced_to: 15 - symbol: Li # 16 coordinates: [ 0.884128290000000, 0.097173190000000, 0.199200510000000 ] mass: 6.941000 reduced_to: 15 - symbol: Li # 17 coordinates: [ 0.457841515000000, 0.883984060000000, 0.999889740000000 ] mass: 6.941000 reduced_to: 17 - symbol: Li # 18 coordinates: [ 0.957841515000000, 0.883984060000000, 0.999889740000000 ] mass: 6.941000 reduced_to: 17 - symbol: Li # 19 coordinates: [ 0.457841515000000, 0.616015940000000, 0.499889740000000 ] mass: 6.941000 reduced_to: 19 - symbol: Li # 20 coordinates: [ 0.957841515000000, 0.616015940000000, 0.499889740000000 ] mass: 6.941000 reduced_to: 19 - symbol: Li # 21 coordinates: [ 0.449872105000000, 0.020124010000000, 0.562546160000000 ] mass: 6.941000 reduced_to: 21 - symbol: Li # 22 coordinates: [ 0.949872105000000, 0.020124010000000, 0.562546160000000 ] mass: 6.941000 reduced_to: 21 - symbol: Li # 23 coordinates: [ 0.449872105000000, 0.479875990000000, 0.062546160000000 ] mass: 6.941000 reduced_to: 23 - symbol: Li # 24 coordinates: [ 0.949872105000000, 0.479875990000000, 0.062546160000000 ] mass: 6.941000 reduced_to: 23 - symbol: Li # 25 coordinates: [ 0.050127895000000, 0.520124010000000, 0.937453840000000 ] mass: 6.941000 reduced_to: 25 - symbol: Li # 26 coordinates: [ 0.550127895000000, 0.520124010000000, 0.937453840000000 ] mass: 6.941000 reduced_to: 25 - symbol: Li # 27 coordinates: [ 0.050127895000000, 0.979875990000000, 0.437453840000000 ] mass: 6.941000 reduced_to: 27 - symbol: Li # 28 coordinates: [ 0.550127895000000, 0.979875990000000, 0.437453840000000 ] mass: 6.941000 reduced_to: 27 - symbol: Li # 29 coordinates: [ 0.042158485000000, 0.383984060000000, 0.500110260000000 ] mass: 6.941000 reduced_to: 29 - symbol: Li # 30 coordinates: [ 0.542158485000000, 0.383984060000000, 0.500110260000000 ] mass: 6.941000 reduced_to: 29 - symbol: Li # 31 coordinates: [ 0.042158485000000, 0.116015940000000, 0.000110260000000 ] mass: 6.941000 reduced_to: 31 - symbol: Li # 32 coordinates: [ 0.542158485000000, 0.116015940000000, 0.000110260000000 ] mass: 6.941000 reduced_to: 31 - symbol: Li # 33 coordinates: [ 0.115871710000000, 0.902826810000000, 0.800799490000000 ] mass: 6.941000 reduced_to: 33 - symbol: Li # 34 coordinates: [ 0.615871710000000, 0.902826810000000, 0.800799490000000 ] mass: 6.941000 reduced_to: 33 - symbol: Li # 35 coordinates: [ 0.115871710000000, 0.597173190000000, 0.300799490000000 ] mass: 6.941000 reduced_to: 35 - symbol: Li # 36 coordinates: [ 0.615871710000000, 0.597173190000000, 0.300799490000000 ] mass: 6.941000 reduced_to: 35 - symbol: Li # 37 coordinates: [ 0.196338745000000, 0.071552750000000, 0.589307720000000 ] mass: 6.941000 reduced_to: 37 - symbol: Li # 38 coordinates: [ 0.696338745000000, 0.071552750000000, 0.589307720000000 ] mass: 6.941000 reduced_to: 37 - symbol: Li # 39 coordinates: [ 0.196338745000000, 0.428447250000000, 0.089307720000000 ] mass: 6.941000 reduced_to: 39 - symbol: Li # 40 coordinates: [ 0.696338745000000, 0.428447250000000, 0.089307720000000 ] mass: 6.941000 reduced_to: 39 - symbol: Li # 41 coordinates: [ 0.132431640000000, 0.619724600000000, 0.790415630000000 ] mass: 6.941000 reduced_to: 41 - symbol: Li # 42 coordinates: [ 0.632431640000000, 0.619724600000000, 0.790415630000000 ] mass: 6.941000 reduced_to: 41 - symbol: Li # 43 coordinates: [ 0.132431640000000, 0.880275400000000, 0.290415630000000 ] mass: 6.941000 reduced_to: 43 - symbol: Li # 44 coordinates: [ 0.632431640000000, 0.880275400000000, 0.290415630000000 ] mass: 6.941000 reduced_to: 43 - symbol: Li # 45 coordinates: [ 0.208829190000000, 0.450889560000000, 0.595164770000000 ] mass: 6.941000 reduced_to: 45 - symbol: Li # 46 coordinates: [ 0.708829190000000, 0.450889560000000, 0.595164770000000 ] mass: 6.941000 reduced_to: 45 - symbol: Li # 47 coordinates: [ 0.208829190000000, 0.049110440000000, 0.095164770000000 ] mass: 6.941000 reduced_to: 47 - symbol: Li # 48 coordinates: [ 0.708829190000000, 0.049110440000000, 0.095164770000000 ] mass: 6.941000 reduced_to: 47 - symbol: Sb # 49 coordinates: [ 0.356482380000000, 0.247091750000000, 0.953637080000000 ] mass: 121.760000 reduced_to: 49 - symbol: Sb # 50 coordinates: [ 0.856482380000000, 0.247091750000000, 0.953637080000000 ] mass: 121.760000 reduced_to: 49 - symbol: Sb # 51 coordinates: [ 0.356482380000000, 0.252908250000000, 0.453637080000000 ] mass: 121.760000 reduced_to: 51 - symbol: Sb # 52 coordinates: [ 0.856482380000000, 0.252908250000000, 0.453637080000000 ] mass: 121.760000 reduced_to: 51 - symbol: Sb # 53 coordinates: [ 0.368200010000000, 0.760162140000000, 0.709228590000000 ] mass: 121.760000 reduced_to: 53 - symbol: Sb # 54 coordinates: [ 0.868200010000000, 0.760162140000000, 0.709228590000000 ] mass: 121.760000 reduced_to: 53 - symbol: Sb # 55 coordinates: [ 0.368200010000000, 0.739837860000000, 0.209228590000000 ] mass: 121.760000 reduced_to: 55 - symbol: Sb # 56 coordinates: [ 0.868200010000000, 0.739837860000000, 0.209228590000000 ] mass: 121.760000 reduced_to: 55 - symbol: Sb # 57 coordinates: [ 0.131799990000000, 0.260162140000000, 0.790771410000000 ] mass: 121.760000 reduced_to: 57 - symbol: Sb # 58 coordinates: [ 0.631799990000000, 0.260162140000000, 0.790771410000000 ] mass: 121.760000 reduced_to: 57 - symbol: Sb # 59 coordinates: [ 0.131799990000000, 0.239837860000000, 0.290771410000000 ] mass: 121.760000 reduced_to: 59 - symbol: Sb # 60 coordinates: [ 0.631799990000000, 0.239837860000000, 0.290771410000000 ] mass: 121.760000 reduced_to: 59 - symbol: Sb # 61 coordinates: [ 0.143517620000000, 0.747091750000000, 0.546362920000000 ] mass: 121.760000 reduced_to: 61 - symbol: Sb # 62 coordinates: [ 0.643517620000000, 0.747091750000000, 0.546362920000000 ] mass: 121.760000 reduced_to: 61 - symbol: Sb # 63 coordinates: [ 0.143517620000000, 0.752908250000000, 0.046362920000000 ] mass: 121.760000 reduced_to: 63 - symbol: Sb # 64 coordinates: [ 0.643517620000000, 0.752908250000000, 0.046362920000000 ] mass: 121.760000 reduced_to: 63 - symbol: S # 65 coordinates: [ 0.252451825000000, 0.758363870000000, 0.808930380000000 ] mass: 32.065000 reduced_to: 65 - symbol: S # 66 coordinates: [ 0.752451825000000, 0.758363870000000, 0.808930380000000 ] mass: 32.065000 reduced_to: 65 - symbol: S # 67 coordinates: [ 0.252451825000000, 0.741636130000000, 0.308930380000000 ] mass: 32.065000 reduced_to: 67 - symbol: S # 68 coordinates: [ 0.752451825000000, 0.741636130000000, 0.308930380000000 ] mass: 32.065000 reduced_to: 67 - symbol: S # 69 coordinates: [ 0.322509005000000, 0.940249310000000, 0.597266720000000 ] mass: 32.065000 reduced_to: 69 - symbol: S # 70 coordinates: [ 0.822509005000000, 0.940249310000000, 0.597266720000000 ] mass: 32.065000 reduced_to: 69 - symbol: S # 71 coordinates: [ 0.322509005000000, 0.559750690000000, 0.097266720000000 ] mass: 32.065000 reduced_to: 71 - symbol: S # 72 coordinates: [ 0.822509005000000, 0.559750690000000, 0.097266720000000 ] mass: 32.065000 reduced_to: 71 - symbol: S # 73 coordinates: [ 0.334875340000000, 0.580535770000000, 0.589941780000000 ] mass: 32.065000 reduced_to: 73 - symbol: S # 74 coordinates: [ 0.834875340000000, 0.580535770000000, 0.589941780000000 ] mass: 32.065000 reduced_to: 73 - symbol: S # 75 coordinates: [ 0.334875340000000, 0.919464230000000, 0.089941780000000 ] mass: 32.065000 reduced_to: 75 - symbol: S # 76 coordinates: [ 0.834875340000000, 0.919464230000000, 0.089941780000000 ] mass: 32.065000 reduced_to: 75 - symbol: S # 77 coordinates: [ 0.421304920000000, 0.061899270000000, 0.876656090000000 ] mass: 32.065000 reduced_to: 77 - symbol: S # 78 coordinates: [ 0.921304920000000, 0.061899270000000, 0.876656090000000 ] mass: 32.065000 reduced_to: 77 - symbol: S # 79 coordinates: [ 0.419195375000000, 0.434740630000000, 0.877140890000000 ] mass: 32.065000 reduced_to: 79 - symbol: S # 80 coordinates: [ 0.919195375000000, 0.434740630000000, 0.877140890000000 ] mass: 32.065000 reduced_to: 79 - symbol: S # 81 coordinates: [ 0.421304920000000, 0.438100730000000, 0.376656090000000 ] mass: 32.065000 reduced_to: 81 - symbol: S # 82 coordinates: [ 0.921304920000000, 0.438100730000000, 0.376656090000000 ] mass: 32.065000 reduced_to: 81 - symbol: S # 83 coordinates: [ 0.419195375000000, 0.065259370000000, 0.377140890000000 ] mass: 32.065000 reduced_to: 83 - symbol: S # 84 coordinates: [ 0.919195375000000, 0.065259370000000, 0.377140890000000 ] mass: 32.065000 reduced_to: 83 - symbol: S # 85 coordinates: [ 0.458178400000000, 0.246937900000000, 0.607242090000000 ] mass: 32.065000 reduced_to: 85 - symbol: S # 86 coordinates: [ 0.958178400000000, 0.246937900000000, 0.607242090000000 ] mass: 32.065000 reduced_to: 85 - symbol: S # 87 coordinates: [ 0.458178400000000, 0.253062100000000, 0.107242090000000 ] mass: 32.065000 reduced_to: 87 - symbol: S # 88 coordinates: [ 0.958178400000000, 0.253062100000000, 0.107242090000000 ] mass: 32.065000 reduced_to: 87 - symbol: S # 89 coordinates: [ 0.041821600000000, 0.746937900000000, 0.892757910000000 ] mass: 32.065000 reduced_to: 89 - symbol: S # 90 coordinates: [ 0.541821600000000, 0.746937900000000, 0.892757910000000 ] mass: 32.065000 reduced_to: 89 - symbol: S # 91 coordinates: [ 0.041821600000000, 0.753062100000000, 0.392757910000000 ] mass: 32.065000 reduced_to: 91 - symbol: S # 92 coordinates: [ 0.541821600000000, 0.753062100000000, 0.392757910000000 ] mass: 32.065000 reduced_to: 91 - symbol: S # 93 coordinates: [ 0.080804625000000, 0.934740630000000, 0.622859110000000 ] mass: 32.065000 reduced_to: 93 - symbol: S # 94 coordinates: [ 0.580804625000000, 0.934740630000000, 0.622859110000000 ] mass: 32.065000 reduced_to: 93 - symbol: S # 95 coordinates: [ 0.078695080000000, 0.561899270000000, 0.623343910000000 ] mass: 32.065000 reduced_to: 95 - symbol: S # 96 coordinates: [ 0.578695080000000, 0.561899270000000, 0.623343910000000 ] mass: 32.065000 reduced_to: 95 - symbol: S # 97 coordinates: [ 0.080804625000000, 0.565259370000000, 0.122859110000000 ] mass: 32.065000 reduced_to: 97 - symbol: S # 98 coordinates: [ 0.580804625000000, 0.565259370000000, 0.122859110000000 ] mass: 32.065000 reduced_to: 97 - symbol: S # 99 coordinates: [ 0.078695080000000, 0.938100730000000, 0.123343910000000 ] mass: 32.065000 reduced_to: 99 - symbol: S # 100 coordinates: [ 0.578695080000000, 0.938100730000000, 0.123343910000000 ] mass: 32.065000 reduced_to: 99 - symbol: S # 101 coordinates: [ 0.165124660000000, 0.080535770000000, 0.910058220000000 ] mass: 32.065000 reduced_to: 101 - symbol: S # 102 coordinates: [ 0.665124660000000, 0.080535770000000, 0.910058220000000 ] mass: 32.065000 reduced_to: 101 - symbol: S # 103 coordinates: [ 0.165124660000000, 0.419464230000000, 0.410058220000000 ] mass: 32.065000 reduced_to: 103 - symbol: S # 104 coordinates: [ 0.665124660000000, 0.419464230000000, 0.410058220000000 ] mass: 32.065000 reduced_to: 103 - symbol: S # 105 coordinates: [ 0.177490995000000, 0.440249310000000, 0.902733280000000 ] mass: 32.065000 reduced_to: 105 - symbol: S # 106 coordinates: [ 0.677490995000000, 0.440249310000000, 0.902733280000000 ] mass: 32.065000 reduced_to: 105 - symbol: S # 107 coordinates: [ 0.177490995000000, 0.059750690000000, 0.402733280000000 ] mass: 32.065000 reduced_to: 107 - symbol: S # 108 coordinates: [ 0.677490995000000, 0.059750690000000, 0.402733280000000 ] mass: 32.065000 reduced_to: 107 - symbol: S # 109 coordinates: [ 0.247548175000000, 0.258363870000000, 0.691069620000000 ] mass: 32.065000 reduced_to: 109 - symbol: S # 110 coordinates: [ 0.747548175000000, 0.258363870000000, 0.691069620000000 ] mass: 32.065000 reduced_to: 109 - symbol: S # 111 coordinates: [ 0.247548175000000, 0.241636130000000, 0.191069620000000 ] mass: 32.065000 reduced_to: 111 - symbol: S # 112 coordinates: [ 0.747548175000000, 0.241636130000000, 0.191069620000000 ] mass: 32.065000 reduced_to: 111displacements:- atom: 1 displacement: [ 0.0099872533903921, 0.0000000000000000, -0.0005047471803797 ] forces: - [ -0.0294669300000000, -0.0019994900000000, -0.0015791400000000 ] - [ 0.0000989000000000, 0.0001756300000000, -0.0007922800000000 ] - [ -0.0000909900000000, -0.0002273600000000, -0.0006953300000000 ] - [ -0.0000311500000000, -0.0002011900000000, -0.0007616400000000 ] - [ -0.0006623000000000, 0.0008008500000000, -0.0008633000000000 ] - [ 0.0000136400000000, 0.0002239400000000, 0.0005398600000000 ] - [ -0.0003508700000000, -0.0001846500000000, 0.0006470700000000 ] - [ -0.0000211200000000, -0.0002699100000000, 0.0004597600000000 ] - [ -0.0001313800000000, -0.0006074700000000, 0.0000768100000000 ] - [ 0.0006300400000000, -0.0006134800000000, 0.0003099300000000 ] - [ 0.0004099000000000, 0.0006379900000000, 0.0003735900000000 ] - [ 0.0005494200000000, 0.0006163800000000, 0.0003299100000000 ] - [ -0.0006449800000000, -0.0005181400000000, -0.0004739800000000 ] - [ -0.0001393800000000, -0.0005075300000000, -0.0001310300000000 ] - [ -0.0003247300000000, 0.0005742300000000, 0.0000350600000000 ] - [ -0.0001853200000000, 0.0005234500000000, -0.0001858600000000 ] - [ 0.0039560100000000, -0.0010193000000000, 0.0032893000000000 ] - [ 0.0002925400000000, 0.0000582600000000, 0.0007656800000000 ] - [ -0.0000236600000000, -0.0000701100000000, 0.0008822800000000 ] - [ 0.0001715500000000, -0.0000381200000000, 0.0008445200000000 ] - [ -0.0004082300000000, -0.0002793200000000, 0.0004183800000000 ] - [ -0.0002880100000000, -0.0002313800000000, 0.0005196900000000 ] - [ -0.0003834000000000, 0.0004080300000000, 0.0006276400000000 ] - [ -0.0002212400000000, 0.0002239700000000, 0.0005143200000000 ] - [ 0.0005415600000000, -0.0002423600000000, -0.0004961900000000 ] - [ 0.0005507700000000, -0.0002822800000000, -0.0004526100000000 ] - [ 0.0003700600000000, 0.0001840900000000, -0.0004164700000000 ] - [ 0.0003849700000000, 0.0002443000000000, -0.0005123300000000 ] - [ -0.0000685200000000, 0.0000341700000000, -0.0007242600000000 ] - [ -0.0000492300000000, 0.0000681600000000, -0.0008474600000000 ] - [ 0.0006583700000000, 0.0000827200000000, -0.0012923800000000 ] - [ 0.0007481500000000, 0.0000097500000000, -0.0002819700000000 ] - [ 0.0027938100000000, 0.0006950000000000, 0.0017755400000000 ] - [ 0.0005438600000000, -0.0005775000000000, 0.0000255000000000 ] - [ 0.0001244500000000, 0.0004650800000000, 0.0000380000000000 ] - [ 0.0003389500000000, 0.0005186000000000, 0.0002570700000000 ] - [ -0.0005643000000000, -0.0005169200000000, -0.0000450700000000 ] - [ -0.0004158400000000, -0.0006100200000000, -0.0003237600000000 ] - [ -0.0007813400000000, 0.0005591100000000, -0.0005704300000000 ] - [ -0.0003359600000000, 0.0005763200000000, -0.0002918000000000 ] - [ 0.0000491600000000, 0.0000986300000000, -0.0002041700000000 ] - [ 0.0002646100000000, 0.0002167900000000, -0.0006033600000000 ] - [ -0.0000621200000000, -0.0002119600000000, -0.0005857300000000 ] - [ 0.0001779300000000, -0.0002818400000000, -0.0003384500000000 ] - [ 0.0000919400000000, 0.0000538200000000, 0.0009444000000000 ] - [ 0.0001502400000000, 0.0001911200000000, 0.0007655100000000 ] - [ -0.0001076900000000, -0.0003005100000000, -0.0009263300000000 ] - [ 0.0002705600000000, -0.0001368400000000, 0.0008054000000000 ] - [ -0.0034180400000000, 0.0049740000000000, 0.0020740900000000 ] - [ 0.0001108900000000, 0.0004944200000000, 0.0003771500000000 ] - [ -0.0007446400000000, -0.0005437300000000, 0.0003313200000000 ] - [ -0.0001872500000000, -0.0006308300000000, 0.0005084300000000 ] - [ -0.0010077600000000, -0.0019774300000000, -0.0008567700000000 ] - [ 0.0004871200000000, -0.0000809600000000, 0.0000049300000000 ] - [ 0.0010461500000000, -0.0011247900000000, 0.0006788200000000 ] - [ 0.0004494700000000, 0.0001136600000000, -0.0000426700000000 ] - [ -0.0012744100000000, -0.0032663100000000, 0.0030957100000000 ] - [ 0.0002526500000000, 0.0001200500000000, -0.0002654700000000 ] - [ -0.0003243700000000, 0.0001042700000000, -0.0000462200000000 ] - [ -0.0000209800000000, 0.0001431000000000, 0.0001634200000000 ] - [ -0.0000843700000000, 0.0007382000000000, -0.0002432100000000 ] - [ 0.0004519900000000, 0.0005406000000000, -0.0003396000000000 ] - [ 0.0007757400000000, -0.0000171700000000, -0.0011717900000000 ] - [ 0.0007494600000000, -0.0007368400000000, -0.0001255100000000 ] - [ 0.0047776400000000, 0.0034506600000000, 0.0021913900000000 ] - [ -0.0000700800000000, -0.0002111400000000, 0.0006913600000000 ] - [ 0.0006882500000000, 0.0005793600000000, 0.0001249400000000 ] - [ 0.0000115900000000, 0.0002282600000000, 0.0005761900000000 ] - [ 0.0003102800000000, 0.0001633900000000, 0.0004811100000000 ] - [ -0.0000536200000000, -0.0001269300000000, 0.0002550700000000 ] - [ 0.0004832800000000, 0.0002404500000000, 0.0003585800000000 ] - [ -0.0001132400000000, 0.0001597800000000, 0.0002833600000000 ] - [ 0.0003889000000000, 0.0005822000000000, -0.0007029700000000 ] - [ -0.0002676900000000, 0.0006052300000000, -0.0004744400000000 ] - [ 0.0006186500000000, -0.0004764000000000, 0.0002250900000000 ] - [ -0.0003490600000000, -0.0006311800000000, -0.0004307400000000 ] - [ 0.0099992200000000, 0.0009610900000000, -0.0024640900000000 ] - [ -0.0012235600000000, -0.0002924000000000, 0.0003553600000000 ] - [ -0.0001652100000000, -0.0014527300000000, 0.0000441900000000 ] - [ -0.0006910600000000, -0.0004814300000000, -0.0000675000000000 ] - [ -0.0005818600000000, 0.0002917000000000, 0.0002460700000000 ] - [ -0.0007481300000000, 0.0003809500000000, 0.0003189100000000 ] - [ -0.0003165800000000, 0.0003781600000000, -0.0002196800000000 ] - [ -0.0004820800000000, 0.0004538900000000, -0.0001384400000000 ] - [ -0.0000173700000000, -0.0001894500000000, 0.0010580400000000 ] - [ -0.0005551900000000, -0.0000746600000000, 0.0005840300000000 ] - [ -0.0001345700000000, -0.0003437700000000, 0.0001222000000000 ] - [ -0.0006020000000000, 0.0001180000000000, 0.0008752100000000 ] - [ 0.0001332100000000, -0.0003400500000000, -0.0006902600000000 ] - [ -0.0004388900000000, 0.0001803200000000, -0.0007572700000000 ] - [ 0.0003366000000000, 0.0000486500000000, -0.0009409500000000 ] - [ 0.0002354500000000, 0.0000996000000000, -0.0008724300000000 ] - [ 0.0004425800000000, -0.0007447900000000, -0.0003619300000000 ] - [ 0.0003489600000000, -0.0003777100000000, 0.0001846700000000 ] - [ 0.0008309400000000, -0.0001314300000000, -0.0004493300000000 ] - [ 0.0006967500000000, -0.0003606300000000, -0.0002997200000000 ] - [ 0.0001460300000000, 0.0002747000000000, 0.0003398200000000 ] - [ 0.0002996200000000, 0.0005045900000000, -0.0000120000000000 ] - [ 0.0006055800000000, 0.0002179300000000, -0.0000059700000000 ] - [ 0.0002944700000000, 0.0004743400000000, -0.0006661400000000 ] - [ 0.0089848700000000, -0.0017189400000000, -0.0025752100000000 ] - [ -0.0003855300000000, 0.0005938500000000, 0.0004972800000000 ] - [ 0.0002447100000000, -0.0005855700000000, 0.0004149700000000 ] - [ 0.0000012800000000, -0.0006564000000000, 0.0003463000000000 ] - [ 0.0006894600000000, 0.0008767600000000, 0.0001949000000000 ] - [ -0.0003223900000000, -0.0000966400000000, -0.0003166700000000 ] - [ 0.0000286000000000, 0.0001375300000000, -0.0003314300000000 ] - [ -0.0002152700000000, 0.0001366400000000, -0.0003903900000000 ] - [ 0.0013682200000000, -0.0002079900000000, -0.0010974100000000 ] - [ -0.0006553700000000, -0.0002092900000000, -0.0004602500000000 ] - [ 0.0002343900000000, 0.0002161500000000, -0.0004385800000000 ] - [ -0.0004951800000000, 0.0001923900000000, -0.0005977300000000 ]- atom: 1 displacement: [ -0.0099872533903921, 0.0000000000000000, 0.0005047471803797 ] forces: - [ 0.0292116400000000, 0.0017783500000000, 0.0000950300000000 ] - [ -0.0003006600000000, 0.0001736800000000, -0.0007554100000000 ] - [ -0.0001095400000000, -0.0001193400000000, -0.0008520900000000 ] - [ -0.0001700700000000, -0.0001456700000000, -0.0007857600000000 ] - [ 0.0004068800000000, -0.0002952500000000, 0.0018086300000000 ] - [ -0.0002664100000000, 0.0002832100000000, 0.0004064400000000 ] - [ 0.0000984800000000, -0.0003211600000000, 0.0002993500000000 ] - [ -0.0002310500000000, -0.0002370200000000, 0.0004865700000000 ] - [ 0.0010775900000000, -0.0005793000000000, 0.0005529100000000 ] - [ 0.0003165300000000, -0.0005768800000000, 0.0003208800000000 ] - [ 0.0005378700000000, 0.0005531200000000, 0.0002571900000000 ] - [ 0.0003977900000000, 0.0005748700000000, 0.0003010000000000 ] - [ 0.0000622700000000, -0.0005005600000000, 0.0001288500000000 ] - [ -0.0004436400000000, -0.0005113700000000, -0.0002136900000000 ] - [ -0.0002580500000000, 0.0004403800000000, -0.0003787000000000 ] - [ -0.0003976900000000, 0.0004941400000000, -0.0001584900000000 ] - [ -0.0037381200000000, 0.0011096600000000, -0.0015887900000000 ] - [ -0.0001358300000000, 0.0000453100000000, 0.0008947200000000 ] - [ 0.0001812100000000, -0.0000337400000000, 0.0007776600000000 ] - [ -0.0000134500000000, -0.0000655900000000, 0.0008157800000000 ] - [ -0.0003514500000000, -0.0001972000000000, 0.0005851100000000 ] - [ -0.0004714000000000, -0.0002447900000000, 0.0004847200000000 ] - [ -0.0003766800000000, 0.0000689600000000, 0.0003769400000000 ] - [ -0.0005391700000000, 0.0002521300000000, 0.0004894400000000 ] - [ 0.0002171100000000, -0.0002342000000000, -0.0005084200000000 ] - [ 0.0002086200000000, -0.0001950900000000, -0.0005514500000000 ] - [ 0.0003894500000000, 0.0002918500000000, -0.0005881500000000 ] - [ 0.0003738800000000, 0.0002316400000000, -0.0004917300000000 ] - [ -0.0000895600000000, 0.0000700800000000, -0.0009357100000000 ] - [ -0.0001091200000000, 0.0000350200000000, -0.0008125500000000 ] - [ -0.0008169700000000, -0.0001837900000000, -0.0003707400000000 ] - [ -0.0009047100000000, -0.0001107800000000, -0.0013844400000000 ] - [ -0.0022528300000000, -0.0017237000000000, -0.0014615500000000 ] - [ 0.0000388900000000, -0.0004380500000000, 0.0003188600000000 ] - [ 0.0004583500000000, 0.0005543600000000, 0.0003076700000000 ] - [ 0.0002429600000000, 0.0005005800000000, 0.0000878900000000 ] - [ -0.0003819000000000, -0.0006747100000000, -0.0005846200000000 ] - [ -0.0005313900000000, -0.0005811700000000, -0.0003065800000000 ] - [ -0.0001645200000000, 0.0006313300000000, -0.0000595000000000 ] - [ -0.0006109500000000, 0.0006143400000000, -0.0003390400000000 ] - [ 0.0002063300000000, 0.0004084200000000, -0.0007449900000000 ] - [ -0.0000122900000000, 0.0002890900000000, -0.0003426900000000 ] - [ 0.0003143700000000, -0.0002942900000000, -0.0003599400000000 ] - [ 0.0000738100000000, -0.0002252900000000, -0.0006070000000000 ] - [ 0.0001088100000000, 0.0002941500000000, 0.0006043600000000 ] - [ 0.0000502600000000, 0.0001560500000000, 0.0007821100000000 ] - [ 0.0003106900000000, -0.0000438100000000, 0.0024823900000000 ] - [ -0.0000697700000000, -0.0002107700000000, 0.0007413200000000 ] - [ 0.0027709200000000, -0.0038090200000000, -0.0013437200000000 ] - [ -0.0007384300000000, 0.0006760700000000, 0.0003477700000000 ] - [ 0.0001191900000000, -0.0006281000000000, 0.0003946400000000 ] - [ -0.0004397000000000, -0.0005403000000000, 0.0002166300000000 ] - [ 0.0015048500000000, 0.0017527900000000, 0.0008485800000000 ] - [ 0.0000279900000000, -0.0001446400000000, -0.0000111800000000 ] - [ -0.0005224700000000, 0.0013612700000000, -0.0006835300000000 ] - [ 0.0000665800000000, 0.0001123000000000, 0.0000377300000000 ] - [ 0.0007467400000000, 0.0030483800000000, -0.0030983400000000 ] - [ -0.0007718800000000, -0.0003480300000000, 0.0002717700000000 ] - [ -0.0001915800000000, 0.0001214300000000, 0.0000527900000000 ] - [ -0.0004952500000000, 0.0000828800000000, -0.0001571900000000 ] - [ 0.0007149600000000, 0.0004316100000000, -0.0004777700000000 ] - [ 0.0001743200000000, 0.0006313000000000, -0.0003859500000000 ] - [ -0.0001530700000000, -0.0011573300000000, 0.0004535000000000 ] - [ -0.0001215900000000, -0.0004348100000000, -0.0005974200000000 ] - [ -0.0042644200000000, -0.0038372100000000, -0.0010083900000000 ] - [ 0.0005514100000000, -0.0002107300000000, 0.0004747700000000 ] - [ -0.0002096200000000, -0.0001564800000000, 0.0010397800000000 ] - [ 0.0004701400000000, 0.0001936600000000, 0.0005890700000000 ] - [ -0.0001447700000000, -0.0003996700000000, 0.0001062900000000 ] - [ 0.0002161200000000, -0.0001100400000000, 0.0003341400000000 ] - [ -0.0003244400000000, -0.0000075500000000, 0.0002273200000000 ] - [ 0.0002756000000000, 0.0000771100000000, 0.0003054900000000 ] - [ -0.0006578400000000, 0.0006535000000000, -0.0001673600000000 ] - [ -0.0000035400000000, 0.0006322200000000, -0.0003934500000000 ] - [ -0.0009070400000000, -0.0007619200000000, -0.0011401800000000 ] - [ 0.0000777100000000, -0.0006059900000000, -0.0004374200000000 ] - [ -0.0109596200000000, -0.0013804500000000, 0.0030553700000000 ] - [ -0.0001970100000000, -0.0003815700000000, 0.0003298500000000 ] - [ -0.0006714900000000, 0.0005168300000000, -0.0002290400000000 ] - [ -0.0001461800000000, -0.0004515400000000, -0.0001163100000000 ] - [ -0.0008376800000000, 0.0003808200000000, 0.0004383800000000 ] - [ -0.0006716200000000, 0.0002922200000000, 0.0003658600000000 ] - [ -0.0005220600000000, 0.0005572700000000, 0.0000367700000000 ] - [ -0.0003566400000000, 0.0004802600000000, -0.0000453500000000 ] - [ -0.0005407600000000, 0.0000158100000000, 0.0005671500000000 ] - [ -0.0000023400000000, -0.0000990500000000, 0.0010416400000000 ] - [ -0.0004238900000000, 0.0005164800000000, 0.0015005600000000 ] - [ 0.0000442900000000, 0.0000564500000000, 0.0007502600000000 ] - [ 0.0004253000000000, 0.0001681900000000, -0.0009357000000000 ] - [ 0.0009905100000000, -0.0003515000000000, -0.0008668700000000 ] - [ 0.0002201700000000, 0.0001257400000000, -0.0006843300000000 ] - [ 0.0003234800000000, 0.0000745700000000, -0.0007518800000000 ] - [ 0.0003946700000000, -0.0001875200000000, 0.0005485000000000 ] - [ 0.0004896900000000, -0.0005564000000000, -0.0000004500000000 ] - [ 0.0005865700000000, -0.0005424300000000, -0.0002364300000000 ] - [ 0.0007228200000000, -0.0003124400000000, -0.0003846300000000 ] - [ 0.0006953200000000, 0.0006615000000000, -0.0001575100000000 ] - [ 0.0005392100000000, 0.0004303200000000, 0.0001950500000000 ] - [ 0.0008138400000000, 0.0004541200000000, -0.0006787500000000 ] - [ 0.0011227700000000, 0.0001981500000000, -0.0000203100000000 ] - [ -0.0090952100000000, 0.0032447900000000, 0.0034902300000000 ] - [ 0.0006610100000000, 0.0006426700000000, 0.0003717700000000 ] - [ 0.0000259900000000, -0.0006513900000000, 0.0004529500000000 ] - [ 0.0002701700000000, -0.0005805700000000, 0.0005218400000000 ] - [ -0.0008530600000000, -0.0011221600000000, -0.0007835000000000 ] - [ 0.0001601400000000, -0.0001385600000000, -0.0002712900000000 ] - [ -0.0001917400000000, 0.0000994600000000, -0.0002579600000000 ] - [ 0.0000529000000000, 0.0001003000000000, -0.0001987500000000 ] - [ -0.0018485300000000, -0.0002126500000000, -0.0000677300000000 ] - [ 0.0001750200000000, -0.0002123900000000, -0.0007055400000000 ] - [ -0.0007172700000000, 0.0002054100000000, -0.0007282500000000 ] - [ 0.0000137500000000, 0.0002293800000000, -0.0005677700000000 ]- atom: 1 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0023132600000000, -0.0268163500000000, -0.0088618800000000 ] - [ -0.0000970300000000, 0.0000643000000000, -0.0007333500000000 ] - [ -0.0000344100000000, -0.0001181800000000, -0.0005383100000000 ] - [ -0.0000722500000000, -0.0001595000000000, -0.0007720900000000 ] - [ 0.0002927400000000, 0.0003663200000000, -0.0007036000000000 ] - [ -0.0001205600000000, 0.0002346900000000, 0.0003968200000000 ] - [ -0.0002630900000000, -0.0000776000000000, 0.0005977000000000 ] - [ -0.0001085300000000, -0.0002127500000000, 0.0004929400000000 ] - [ 0.0003675500000000, 0.0009066900000000, -0.0000530000000000 ] - [ 0.0004910700000000, -0.0005427100000000, 0.0003370600000000 ] - [ 0.0005056400000000, 0.0005940600000000, 0.0004203300000000 ] - [ 0.0005062700000000, 0.0005812400000000, 0.0003146700000000 ] - [ -0.0002620100000000, -0.0001687500000000, -0.0005096700000000 ] - [ -0.0002806100000000, -0.0004630200000000, -0.0002159900000000 ] - [ -0.0004880100000000, -0.0000188000000000, -0.0000253300000000 ] - [ -0.0002655000000000, 0.0004711500000000, -0.0001602800000000 ] - [ -0.0018392000000000, -0.0010114500000000, 0.0003610600000000 ] - [ 0.0001215400000000, -0.0000905100000000, 0.0008840000000000 ] - [ -0.0001721000000000, -0.0000647000000000, 0.0009852200000000 ] - [ 0.0001845900000000, -0.0000437100000000, 0.0008439200000000 ] - [ -0.0005571800000000, -0.0003381400000000, 0.0004521800000000 ] - [ -0.0002930100000000, -0.0002934700000000, 0.0005012300000000 ] - [ -0.0004410500000000, 0.0004989100000000, 0.0006381300000000 ] - [ -0.0002819700000000, 0.0003030600000000, 0.0005892300000000 ] - [ 0.0002957900000000, -0.0000801100000000, -0.0003787900000000 ] - [ 0.0005554500000000, -0.0001223900000000, -0.0003798100000000 ] - [ 0.0003941700000000, 0.0001869100000000, -0.0004653800000000 ] - [ 0.0003198900000000, 0.0002420600000000, -0.0004909100000000 ] - [ -0.0000731700000000, 0.0001780200000000, -0.0008378900000000 ] - [ -0.0001171700000000, 0.0000985500000000, -0.0008356600000000 ] - [ -0.0005786100000000, -0.0000747900000000, -0.0002291700000000 ] - [ 0.0002969100000000, 0.0000287800000000, -0.0004459900000000 ] - [ 0.0013813900000000, -0.0017829400000000, 0.0000893200000000 ] - [ 0.0003732900000000, -0.0006845600000000, 0.0000768600000000 ] - [ 0.0002890400000000, 0.0005332400000000, 0.0001464600000000 ] - [ 0.0002845100000000, 0.0005327100000000, 0.0001899100000000 ] - [ -0.0004048000000000, -0.0009389700000000, -0.0005391700000000 ] - [ -0.0004932500000000, -0.0006428800000000, -0.0003157200000000 ] - [ -0.0005013100000000, 0.0008034000000000, -0.0000754800000000 ] - [ -0.0004357800000000, 0.0006405000000000, -0.0002839500000000 ] - [ 0.0008649700000000, 0.0009528900000000, -0.0008078400000000 ] - [ 0.0001095600000000, 0.0003333000000000, -0.0005078100000000 ] - [ 0.0001423300000000, -0.0002804300000000, -0.0004560500000000 ] - [ 0.0001138800000000, -0.0002742700000000, -0.0004462100000000 ] - [ 0.0002173400000000, 0.0006813900000000, 0.0007087400000000 ] - [ 0.0000831000000000, 0.0002237000000000, 0.0007779400000000 ] - [ 0.0000332000000000, -0.0006774000000000, 0.0020031900000000 ] - [ 0.0001400700000000, -0.0002192900000000, 0.0008281900000000 ] - [ 0.0030978900000000, 0.0065834000000000, 0.0020361700000000 ] - [ -0.0002475400000000, 0.0007578500000000, 0.0004905700000000 ] - [ -0.0002710100000000, -0.0006462600000000, 0.0002622100000000 ] - [ -0.0002371700000000, -0.0005572600000000, 0.0003052900000000 ] - [ -0.0032190300000000, -0.0003285700000000, 0.0033643900000000 ] - [ 0.0003640700000000, -0.0001465600000000, -0.0000235600000000 ] - [ -0.0001688400000000, 0.0010264000000000, -0.0006244800000000 ] - [ 0.0003565600000000, 0.0000905300000000, 0.0000420200000000 ] - [ -0.0006963400000000, 0.0022961600000000, -0.0011404800000000 ] - [ -0.0000435600000000, 0.0000533000000000, -0.0001799300000000 ] - [ -0.0004315800000000, 0.0001148400000000, 0.0001251000000000 ] - [ -0.0001363900000000, 0.0001072400000000, 0.0001424100000000 ] - [ 0.0012612500000000, 0.0004575300000000, 0.0006458300000000 ] - [ 0.0002589700000000, 0.0005730400000000, -0.0003073100000000 ] - [ 0.0017740300000000, -0.0005785300000000, -0.0007934800000000 ] - [ 0.0004008700000000, -0.0006349800000000, -0.0004650900000000 ] - [ 0.0052356500000000, 0.0125202000000000, 0.0066570000000000 ] - [ 0.0002165600000000, -0.0001889900000000, 0.0006152800000000 ] - [ 0.0003706700000000, 0.0001031500000000, 0.0005471500000000 ] - [ 0.0001997400000000, 0.0002160800000000, 0.0005859800000000 ] - [ 0.0000051600000000, 0.0009809500000000, -0.0000937100000000 ] - [ 0.0000408700000000, -0.0000483200000000, 0.0002970200000000 ] - [ 0.0000994200000000, -0.0005327700000000, 0.0004716800000000 ] - [ 0.0000169500000000, 0.0000348700000000, 0.0002360400000000 ] - [ -0.0000369900000000, -0.0002738400000000, -0.0013261400000000 ] - [ -0.0001956100000000, 0.0005747500000000, -0.0004273900000000 ] - [ -0.0004505900000000, 0.0008269800000000, -0.0002334200000000 ] - [ -0.0002002900000000, -0.0005132900000000, -0.0005195500000000 ] - [ 0.0031226200000000, 0.0030678300000000, -0.0011979600000000 ] - [ -0.0003296300000000, -0.0003131500000000, 0.0002832500000000 ] - [ -0.0012156600000000, -0.0015176500000000, 0.0003248700000000 ] - [ -0.0004192800000000, -0.0006012600000000, -0.0001090400000000 ] - [ -0.0005940100000000, 0.0001442100000000, 0.0001598300000000 ] - [ -0.0007933000000000, 0.0002555900000000, 0.0003277900000000 ] - [ -0.0003622700000000, 0.0007137900000000, -0.0000458000000000 ] - [ -0.0004927400000000, 0.0005357500000000, -0.0001012300000000 ] - [ -0.0002724700000000, -0.0001116800000000, 0.0011679200000000 ] - [ -0.0002965000000000, -0.0000923300000000, 0.0009262200000000 ] - [ -0.0008272700000000, -0.0000171800000000, 0.0000684600000000 ] - [ -0.0003216400000000, 0.0000336300000000, 0.0006448700000000 ] - [ -0.0000556100000000, 0.0000256100000000, -0.0007257000000000 ] - [ 0.0005412800000000, -0.0001104900000000, -0.0008034600000000 ] - [ -0.0000340800000000, 0.0001287000000000, -0.0010097600000000 ] - [ 0.0003167200000000, 0.0000943100000000, -0.0008885900000000 ] - [ 0.0001063900000000, -0.0000490200000000, 0.0000422700000000 ] - [ 0.0005478400000000, -0.0003683700000000, 0.0000999100000000 ] - [ 0.0003486800000000, -0.0007225900000000, -0.0005611400000000 ] - [ 0.0008481800000000, -0.0004118800000000, -0.0003507500000000 ] - [ 0.0000337400000000, 0.0001091300000000, 0.0001624200000000 ] - [ 0.0003749800000000, 0.0003423500000000, 0.0000721400000000 ] - [ 0.0004342900000000, 0.0009443300000000, -0.0004855000000000 ] - [ 0.0006667700000000, 0.0005403200000000, -0.0004695200000000 ] - [ -0.0048537700000000, 0.0037276300000000, 0.0012976900000000 ] - [ -0.0001788500000000, 0.0006233700000000, 0.0004620500000000 ] - [ 0.0000938100000000, -0.0008195000000000, 0.0003968200000000 ] - [ 0.0000961400000000, -0.0007356900000000, 0.0003359900000000 ] - [ -0.0001209900000000, -0.0012439400000000, -0.0004786700000000 ] - [ -0.0001469300000000, -0.0002100300000000, -0.0003138900000000 ] - [ -0.0001231700000000, 0.0003054300000000, -0.0003783900000000 ] - [ -0.0001296500000000, 0.0002401500000000, -0.0003977900000000 ] - [ -0.0004054800000000, -0.0008402700000000, 0.0002899600000000 ] - [ -0.0003482700000000, -0.0002303400000000, -0.0005002400000000 ] - [ -0.0001437800000000, 0.0002298800000000, -0.0008978800000000 ] - [ -0.0003002200000000, 0.0002072300000000, -0.0006025200000000 ]- atom: 1 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0023077400000000, 0.0275167800000000, 0.0077367500000000 ] - [ -0.0001036700000000, 0.0002845800000000, -0.0008147900000000 ] - [ -0.0001666000000000, -0.0002282400000000, -0.0010097400000000 ] - [ -0.0001284100000000, -0.0001878700000000, -0.0007763400000000 ] - [ -0.0005413600000000, 0.0001390800000000, 0.0016474600000000 ] - [ -0.0001316100000000, 0.0002719700000000, 0.0005487400000000 ] - [ 0.0000108400000000, -0.0004280400000000, 0.0003488300000000 ] - [ -0.0001430300000000, -0.0002938900000000, 0.0004532500000000 ] - [ 0.0005749200000000, -0.0021066700000000, 0.0006799400000000 ] - [ 0.0004558800000000, -0.0006481600000000, 0.0002935300000000 ] - [ 0.0004422900000000, 0.0005957800000000, 0.0002091900000000 ] - [ 0.0004406700000000, 0.0006107400000000, 0.0003156500000000 ] - [ -0.0003219900000000, -0.0008515100000000, 0.0001623100000000 ] - [ -0.0003025400000000, -0.0005561000000000, -0.0001291000000000 ] - [ -0.0000951100000000, 0.0010334500000000, -0.0003175200000000 ] - [ -0.0003174400000000, 0.0005464000000000, -0.0001841700000000 ] - [ 0.0019913200000000, 0.0011285400000000, 0.0013002000000000 ] - [ 0.0000351900000000, 0.0001926600000000, 0.0007762500000000 ] - [ 0.0003308900000000, -0.0000441200000000, 0.0006746600000000 ] - [ -0.0000252200000000, -0.0000647700000000, 0.0008167600000000 ] - [ -0.0002020700000000, -0.0001374400000000, 0.0005525500000000 ] - [ -0.0004664800000000, -0.0001822000000000, 0.0005034600000000 ] - [ -0.0003187100000000, -0.0000196000000000, 0.0003681400000000 ] - [ -0.0004779700000000, 0.0001726000000000, 0.0004146900000000 ] - [ 0.0004635900000000, -0.0003964600000000, -0.0006262200000000 ] - [ 0.0002072200000000, -0.0003537800000000, -0.0006230700000000 ] - [ 0.0003661600000000, 0.0002869700000000, -0.0005396300000000 ] - [ 0.0004393200000000, 0.0002342900000000, -0.0005136400000000 ] - [ -0.0000832300000000, -0.0000775600000000, -0.0008219000000000 ] - [ -0.0000393700000000, 0.0000029000000000, -0.0008246100000000 ] - [ 0.0004231200000000, -0.0000261300000000, -0.0014344900000000 ] - [ -0.0004562400000000, -0.0001332200000000, -0.0012191700000000 ] - [ -0.0007875700000000, 0.0007718900000000, 0.0002591500000000 ] - [ 0.0002103000000000, -0.0003318300000000, 0.0002675700000000 ] - [ 0.0002931300000000, 0.0004858600000000, 0.0001972000000000 ] - [ 0.0002979700000000, 0.0004866400000000, 0.0001551100000000 ] - [ -0.0005428200000000, -0.0002525400000000, -0.0000904600000000 ] - [ -0.0004543000000000, -0.0005479800000000, -0.0003144300000000 ] - [ -0.0004466900000000, 0.0003867500000000, -0.0005556300000000 ] - [ -0.0005102500000000, 0.0005505400000000, -0.0003466900000000 ] - [ -0.0006087500000000, -0.0004495100000000, -0.0001412600000000 ] - [ 0.0001432700000000, 0.0001732700000000, -0.0004372600000000 ] - [ 0.0001105100000000, -0.0002266800000000, -0.0004895900000000 ] - [ 0.0001377200000000, -0.0002323600000000, -0.0004996500000000 ] - [ -0.0000169000000000, -0.0003323400000000, 0.0008400000000000 ] - [ 0.0001176000000000, 0.0001237100000000, 0.0007693700000000 ] - [ 0.0001660500000000, 0.0003237900000000, -0.0004562000000000 ] - [ 0.0000607900000000, -0.0001291200000000, 0.0007191700000000 ] - [ -0.0036598500000000, -0.0053450200000000, -0.0012937700000000 ] - [ -0.0003769000000000, 0.0004128800000000, 0.0002344700000000 ] - [ -0.0003526400000000, -0.0005245500000000, 0.0004634100000000 ] - [ -0.0003871900000000, -0.0006139500000000, 0.0004205900000000 ] - [ 0.0037327600000000, 0.0001045900000000, -0.0033781800000000 ] - [ 0.0001505400000000, -0.0000791800000000, 0.0000176700000000 ] - [ 0.0006884700000000, -0.0007827100000000, 0.0006270100000000 ] - [ 0.0001585500000000, 0.0001354200000000, -0.0000472500000000 ] - [ 0.0001580300000000, -0.0025263900000000, 0.0011574700000000 ] - [ -0.0004730100000000, -0.0002810600000000, 0.0001851000000000 ] - [ -0.0000838100000000, 0.0001108900000000, -0.0001186000000000 ] - [ -0.0003767800000000, 0.0001184400000000, -0.0001358700000000 ] - [ -0.0006373100000000, 0.0007113200000000, -0.0013708000000000 ] - [ 0.0003658300000000, 0.0005989700000000, -0.0004184400000000 ] - [ -0.0011552300000000, -0.0005897300000000, 0.0000695400000000 ] - [ 0.0002247200000000, -0.0005356600000000, -0.0002580600000000 ] - [ -0.0049189800000000, -0.0134388700000000, -0.0058732800000000 ] - [ 0.0002668400000000, -0.0002328900000000, 0.0005484500000000 ] - [ 0.0001099900000000, 0.0003167500000000, 0.0006185400000000 ] - [ 0.0002840900000000, 0.0002056000000000, 0.0005774500000000 ] - [ 0.0001584700000000, -0.0012224200000000, 0.0006857000000000 ] - [ 0.0001213900000000, -0.0001887600000000, 0.0002939100000000 ] - [ 0.0000609100000000, 0.0007679400000000, 0.0001112300000000 ] - [ 0.0001454500000000, 0.0002018900000000, 0.0003552300000000 ] - [ -0.0002308800000000, 0.0015106400000000, 0.0004566600000000 ] - [ -0.0000759900000000, 0.0006628400000000, -0.0004390200000000 ] - [ 0.0001746000000000, -0.0020795700000000, -0.0006717000000000 ] - [ -0.0000709800000000, -0.0007242500000000, -0.0003468100000000 ] - [ -0.0044283600000000, -0.0037061200000000, 0.0018595600000000 ] - [ -0.0010927800000000, -0.0003593400000000, 0.0004022800000000 ] - [ 0.0003626100000000, 0.0005750800000000, -0.0005052200000000 ] - [ -0.0004203200000000, -0.0003337600000000, -0.0000757500000000 ] - [ -0.0008267500000000, 0.0005264200000000, 0.0005244500000000 ] - [ -0.0006277100000000, 0.0004161400000000, 0.0003567900000000 ] - [ -0.0004775000000000, 0.0002227500000000, -0.0001387500000000 ] - [ -0.0003471900000000, 0.0003997900000000, -0.0000839400000000 ] - [ -0.0002873100000000, -0.0000609500000000, 0.0004576100000000 ] - [ -0.0002639300000000, -0.0000805300000000, 0.0006983900000000 ] - [ 0.0002584500000000, 0.0001925500000000, 0.0015526900000000 ] - [ -0.0002385400000000, 0.0001397400000000, 0.0009819600000000 ] - [ 0.0006157400000000, -0.0001989800000000, -0.0008995800000000 ] - [ 0.0000137700000000, -0.0000635100000000, -0.0008231600000000 ] - [ 0.0005940100000000, 0.0000451700000000, -0.0006164700000000 ] - [ 0.0002439400000000, 0.0000792600000000, -0.0007367400000000 ] - [ 0.0007339200000000, -0.0008872500000000, 0.0001434000000000 ] - [ 0.0002918900000000, -0.0005675200000000, 0.0000853100000000 ] - [ 0.0010711300000000, 0.0000508900000000, -0.0001255700000000 ] - [ 0.0005724100000000, -0.0002602400000000, -0.0003337700000000 ] - [ 0.0008082500000000, 0.0008280000000000, 0.0000219000000000 ] - [ 0.0004644200000000, 0.0005928900000000, 0.0001117000000000 ] - [ 0.0009886000000000, -0.0002754800000000, -0.0001996000000000 ] - [ 0.0007552600000000, 0.0001307500000000, -0.0002154300000000 ] - [ 0.0049480900000000, -0.0024123000000000, -0.0004254400000000 ] - [ 0.0004516500000000, 0.0006134400000000, 0.0004045500000000 ] - [ 0.0001767000000000, -0.0004185000000000, 0.0004693000000000 ] - [ 0.0001740000000000, -0.0005023500000000, 0.0005294500000000 ] - [ -0.0000366000000000, 0.0010066800000000, -0.0001083400000000 ] - [ -0.0000168600000000, -0.0000255200000000, -0.0002765600000000 ] - [ -0.0000400700000000, -0.0000688200000000, -0.0002134600000000 ] - [ -0.0000340400000000, -0.0000026300000000, -0.0001943700000000 ] - [ -0.0000669900000000, 0.0004144400000000, -0.0014515600000000 ] - [ -0.0001357600000000, -0.0001912400000000, -0.0006633900000000 ] - [ -0.0003383600000000, 0.0001922100000000, -0.0002666800000000 ] - [ -0.0001850200000000, 0.0002146100000000, -0.0005606200000000 ]- atom: 1 displacement: [ -0.0007714822112317, 0.0000000000000000, 0.0099701963470011 ] forces: - [ 0.0001969900000000, -0.0077738000000000, -0.0224789600000000 ] - [ -0.0001357600000000, 0.0002155600000000, -0.0007940500000000 ] - [ 0.0000026400000000, -0.0004043500000000, -0.0002721800000000 ] - [ -0.0000931000000000, -0.0001740000000000, -0.0007671800000000 ] - [ -0.0011859100000000, -0.0008639600000000, 0.0015193500000000 ] - [ -0.0001291300000000, 0.0002609200000000, 0.0004653800000000 ] - [ 0.0000675300000000, -0.0005323700000000, 0.0006025200000000 ] - [ -0.0001447000000000, -0.0002671300000000, 0.0004895600000000 ] - [ 0.0002569500000000, -0.0002479100000000, -0.0008692700000000 ] - [ 0.0004592600000000, -0.0006127400000000, 0.0002964800000000 ] - [ 0.0005630600000000, 0.0007494600000000, 0.0010451000000000 ] - [ 0.0004843600000000, 0.0005955400000000, 0.0003251700000000 ] - [ -0.0004873200000000, -0.0003701100000000, -0.0001946200000000 ] - [ -0.0002940600000000, -0.0005144100000000, -0.0001856100000000 ] - [ 0.0000194600000000, 0.0015235200000000, 0.0002355400000000 ] - [ -0.0003197600000000, 0.0005246800000000, -0.0001476300000000 ] - [ 0.0019230500000000, 0.0001826100000000, -0.0001271900000000 ] - [ 0.0000012600000000, 0.0000468900000000, 0.0007411500000000 ] - [ -0.0000971500000000, -0.0000417900000000, 0.0011234100000000 ] - [ 0.0001559000000000, -0.0000576700000000, 0.0008880600000000 ] - [ -0.0006870700000000, -0.0004459600000000, 0.0006925900000000 ] - [ -0.0002711500000000, -0.0003047400000000, 0.0005243900000000 ] - [ -0.0001429900000000, 0.0000160200000000, 0.0002893300000000 ] - [ -0.0004991900000000, 0.0001988900000000, 0.0004147200000000 ] - [ 0.0004271200000000, -0.0003219100000000, -0.0006470000000000 ] - [ 0.0003336900000000, -0.0002707400000000, -0.0005670300000000 ] - [ 0.0003551700000000, 0.0001935300000000, -0.0003656000000000 ] - [ 0.0004059400000000, 0.0002621900000000, -0.0004433900000000 ] - [ -0.0000739100000000, 0.0001152500000000, -0.0007456100000000 ] - [ -0.0000608700000000, 0.0000528000000000, -0.0007562600000000 ] - [ 0.0001477600000000, 0.0000837000000000, -0.0009948600000000 ] - [ -0.0004741000000000, 0.0000019600000000, -0.0013266700000000 ] - [ 0.0022673900000000, -0.0004053300000000, 0.0000282500000000 ] - [ 0.0001936400000000, -0.0004659200000000, 0.0001983700000000 ] - [ 0.0000272300000000, 0.0003955100000000, 0.0003013600000000 ] - [ 0.0003780300000000, 0.0004757100000000, 0.0001860600000000 ] - [ -0.0001670500000000, -0.0008367100000000, 0.0002049700000000 ] - [ -0.0004912400000000, -0.0006069900000000, -0.0002903800000000 ] - [ -0.0007010300000000, 0.0003662600000000, -0.0005136300000000 ] - [ -0.0004596200000000, 0.0005552200000000, -0.0003470400000000 ] - [ 0.0009629200000000, 0.0005150900000000, -0.0005863500000000 ] - [ 0.0000886300000000, 0.0002526500000000, -0.0004619200000000 ] - [ -0.0001876800000000, -0.0001118100000000, -0.0003371200000000 ] - [ 0.0001839700000000, -0.0002407300000000, -0.0004592600000000 ] - [ 0.0002837500000000, 0.0002494300000000, 0.0010326900000000 ] - [ 0.0000890400000000, 0.0001677200000000, 0.0007920700000000 ] - [ -0.0015480400000000, 0.0010646900000000, 0.0017246000000000 ] - [ 0.0001164100000000, -0.0001230800000000, 0.0007148100000000 ] - [ 0.0012888600000000, 0.0002242800000000, -0.0013640100000000 ] - [ -0.0003864000000000, 0.0005699700000000, 0.0002900800000000 ] - [ -0.0005651000000000, -0.0005639500000000, 0.0008027200000000 ] - [ -0.0002632500000000, -0.0005865500000000, 0.0003906100000000 ] - [ -0.0019280000000000, 0.0018761700000000, 0.0030258200000000 ] - [ 0.0002844000000000, -0.0001013800000000, -0.0000393300000000 ] - [ -0.0004786400000000, -0.0038951300000000, 0.0016722600000000 ] - [ 0.0002339100000000, 0.0001192700000000, 0.0000410000000000 ] - [ 0.0012486300000000, -0.0002370800000000, 0.0000028100000000 ] - [ -0.0004078400000000, -0.0002248900000000, 0.0000905100000000 ] - [ -0.0005267500000000, 0.0000403600000000, 0.0002551500000000 ] - [ -0.0002780100000000, 0.0001286000000000, -0.0000198900000000 ] - [ 0.0007303200000000, 0.0007479100000000, 0.0004920500000000 ] - [ 0.0002334700000000, 0.0005733600000000, -0.0001232800000000 ] - [ -0.0015613300000000, -0.0011137600000000, -0.0009360800000000 ] - [ 0.0003064700000000, -0.0006475000000000, -0.0006029900000000 ] - [ 0.0026307700000000, 0.0057450100000000, 0.0055158600000000 ] - [ 0.0002511800000000, -0.0002208700000000, 0.0005522600000000 ] - [ 0.0013134400000000, 0.0004862700000000, -0.0004275800000000 ] - [ 0.0002288300000000, 0.0002116000000000, 0.0005864800000000 ] - [ 0.0003102100000000, -0.0000862800000000, -0.0009692200000000 ] - [ 0.0000589800000000, -0.0001666400000000, 0.0003210000000000 ] - [ 0.0004639900000000, 0.0013012200000000, 0.0012070600000000 ] - [ 0.0000975200000000, 0.0001087300000000, 0.0002833100000000 ] - [ -0.0003399300000000, 0.0001420000000000, -0.0011829500000000 ] - [ -0.0001752900000000, 0.0006613100000000, -0.0004127100000000 ] - [ 0.0015681500000000, 0.0014459400000000, 0.0077022500000000 ] - [ -0.0000938300000000, -0.0006094200000000, -0.0004313900000000 ] - [ -0.0030753800000000, -0.0006145300000000, 0.0038233800000000 ] - [ -0.0006987500000000, -0.0003742300000000, 0.0003729000000000 ] - [ -0.0005683500000000, -0.0003678100000000, 0.0002444600000000 ] - [ -0.0004152900000000, -0.0004257600000000, -0.0000501500000000 ] - [ -0.0006046900000000, 0.0005791300000000, -0.0000061000000000 ] - [ -0.0007279700000000, 0.0003291700000000, 0.0002971100000000 ] - [ -0.0003000900000000, 0.0002296800000000, -0.0007022800000000 ] - [ -0.0004416600000000, 0.0004915200000000, -0.0001449800000000 ] - [ -0.0001849800000000, -0.0000072000000000, 0.0004268100000000 ] - [ -0.0003130400000000, -0.0000784300000000, 0.0008220600000000 ] - [ -0.0004402500000000, 0.0001701700000000, 0.0016117300000000 ] - [ -0.0002142300000000, 0.0001193000000000, 0.0008924400000000 ] - [ 0.0003869700000000, -0.0001192200000000, -0.0000802300000000 ] - [ 0.0004016600000000, -0.0001257300000000, -0.0005358600000000 ] - [ 0.0002411800000000, 0.0000839500000000, -0.0012811900000000 ] - [ 0.0001034300000000, 0.0000930600000000, -0.0011397200000000 ] - [ 0.0000776100000000, -0.0005122500000000, -0.0003340000000000 ] - [ 0.0006362300000000, -0.0005287300000000, -0.0000587700000000 ] - [ 0.0004335400000000, -0.0004622200000000, -0.0005676400000000 ] - [ 0.0008612900000000, -0.0002869300000000, -0.0004267100000000 ] - [ 0.0009533100000000, 0.0008400200000000, 0.0000359200000000 ] - [ 0.0002468500000000, 0.0004924500000000, 0.0002232500000000 ] - [ 0.0011211800000000, 0.0001127200000000, -0.0001928900000000 ] - [ 0.0003614300000000, 0.0002821700000000, -0.0001243000000000 ] - [ -0.0027582200000000, 0.0012817200000000, 0.0030629100000000 ] - [ 0.0003856000000000, 0.0005957100000000, 0.0004273200000000 ] - [ 0.0001820900000000, -0.0006403100000000, 0.0001277900000000 ] - [ 0.0001290800000000, -0.0005961300000000, 0.0004233500000000 ] - [ -0.0003782600000000, -0.0003152500000000, -0.0001292400000000 ] - [ -0.0000324700000000, -0.0000777300000000, -0.0002559500000000 ] - [ -0.0000668300000000, 0.0001995200000000, -0.0006133500000000 ] - [ -0.0000884200000000, 0.0000771400000000, -0.0003004100000000 ] - [ -0.0009606400000000, 0.0005242900000000, -0.0007317800000000 ] - [ -0.0001700900000000, -0.0002037800000000, -0.0006012700000000 ] - [ 0.0001670400000000, 0.0000254200000000, -0.0008074300000000 ] - [ -0.0002340400000000, 0.0002089200000000, -0.0005860900000000 ]- atom: 1 displacement: [ 0.0007714822112317, 0.0000000000000000, -0.0099701963470011 ] forces: - [ -0.0004897100000000, 0.0084119200000000, 0.0204323100000000 ] - [ -0.0000651800000000, 0.0001340500000000, -0.0007541900000000 ] - [ -0.0002029100000000, 0.0000561900000000, -0.0012747200000000 ] - [ -0.0001074500000000, -0.0001732600000000, -0.0007815300000000 ] - [ 0.0009497700000000, 0.0013858600000000, -0.0005817800000000 ] - [ -0.0001234300000000, 0.0002460100000000, 0.0004812700000000 ] - [ -0.0003189200000000, 0.0000251400000000, 0.0003440800000000 ] - [ -0.0001074600000000, -0.0002397400000000, 0.0004558900000000 ] - [ 0.0006895500000000, -0.0009431600000000, 0.0014971500000000 ] - [ 0.0004868400000000, -0.0005784700000000, 0.0003340600000000 ] - [ 0.0003821800000000, 0.0004439300000000, -0.0004175800000000 ] - [ 0.0004627700000000, 0.0005954700000000, 0.0003053500000000 ] - [ -0.0000956100000000, -0.0006492500000000, -0.0001486600000000 ] - [ -0.0002902100000000, -0.0005049100000000, -0.0001592800000000 ] - [ -0.0006018700000000, -0.0005029100000000, -0.0005758900000000 ] - [ -0.0002641900000000, 0.0004933800000000, -0.0001972500000000 ] - [ -0.0017732300000000, -0.0000794100000000, 0.0017701300000000 ] - [ 0.0001561000000000, 0.0000571000000000, 0.0009184000000000 ] - [ 0.0002567300000000, -0.0000676900000000, 0.0005369800000000 ] - [ 0.0000029400000000, -0.0000508200000000, 0.0007724500000000 ] - [ -0.0000703600000000, -0.0000259400000000, 0.0003127700000000 ] - [ -0.0004888700000000, -0.0001714700000000, 0.0004800000000000 ] - [ -0.0006159200000000, 0.0004622600000000, 0.0007134700000000 ] - [ -0.0002609900000000, 0.0002775800000000, 0.0005893400000000 ] - [ 0.0003326800000000, -0.0001546800000000, -0.0003594200000000 ] - [ 0.0004254800000000, -0.0002054400000000, -0.0004385600000000 ] - [ 0.0004043500000000, 0.0002815000000000, -0.0006395900000000 ] - [ 0.0003543000000000, 0.0002142400000000, -0.0005613300000000 ] - [ -0.0000843700000000, -0.0000122800000000, -0.0009143900000000 ] - [ -0.0000957900000000, 0.0000475200000000, -0.0009038400000000 ] - [ -0.0003045200000000, -0.0001879600000000, -0.0006696300000000 ] - [ 0.0003145200000000, -0.0001058500000000, -0.0003380500000000 ] - [ -0.0016873100000000, -0.0006131800000000, 0.0003271300000000 ] - [ 0.0003886600000000, -0.0005508400000000, 0.0001472000000000 ] - [ 0.0005543300000000, 0.0006232300000000, 0.0000430200000000 ] - [ 0.0002053500000000, 0.0005434900000000, 0.0001586700000000 ] - [ -0.0007825800000000, -0.0003519100000000, -0.0008401800000000 ] - [ -0.0004562500000000, -0.0005839400000000, -0.0003401800000000 ] - [ -0.0002457900000000, 0.0008239300000000, -0.0001189200000000 ] - [ -0.0004863000000000, 0.0006361300000000, -0.0002838800000000 ] - [ -0.0007084900000000, -0.0000091900000000, -0.0003603800000000 ] - [ 0.0001629600000000, 0.0002543300000000, -0.0004829500000000 ] - [ 0.0004388600000000, -0.0003941700000000, -0.0006090500000000 ] - [ 0.0000681800000000, -0.0002657200000000, -0.0004864200000000 ] - [ -0.0000834900000000, 0.0000997900000000, 0.0005158300000000 ] - [ 0.0001112600000000, 0.0001798200000000, 0.0007552900000000 ] - [ 0.0017273600000000, -0.0013971500000000, -0.0001561400000000 ] - [ 0.0000842800000000, -0.0002250300000000, 0.0008323100000000 ] - [ -0.0019213400000000, 0.0009223700000000, 0.0020728000000000 ] - [ -0.0002393600000000, 0.0006006200000000, 0.0004334700000000 ] - [ -0.0000596800000000, -0.0006059500000000, -0.0000775900000000 ] - [ -0.0003622500000000, -0.0005845000000000, 0.0003340300000000 ] - [ 0.0024489200000000, -0.0021372600000000, -0.0030310300000000 ] - [ 0.0002289400000000, -0.0001237800000000, 0.0000344800000000 ] - [ 0.0009981800000000, 0.0041186100000000, -0.0016564900000000 ] - [ 0.0002794800000000, 0.0001062700000000, -0.0000468200000000 ] - [ -0.0017683400000000, 0.0000036500000000, 0.0000246300000000 ] - [ -0.0001087200000000, -0.0000015800000000, -0.0000833400000000 ] - [ 0.0000121700000000, 0.0001852800000000, -0.0002498200000000 ] - [ -0.0002363700000000, 0.0000970200000000, 0.0000250500000000 ] - [ -0.0001053000000000, 0.0004196300000000, -0.0012126300000000 ] - [ 0.0003916500000000, 0.0005981500000000, -0.0006000800000000 ] - [ 0.0021769700000000, -0.0000592500000000, 0.0002072200000000 ] - [ 0.0003174800000000, -0.0005248800000000, -0.0001231200000000 ] - [ -0.0021933300000000, -0.0063414100000000, -0.0044005100000000 ] - [ 0.0002342800000000, -0.0002007900000000, 0.0006094800000000 ] - [ -0.0008264300000000, -0.0000636900000000, 0.0015885700000000 ] - [ 0.0002564600000000, 0.0002099500000000, 0.0005762900000000 ] - [ -0.0001552000000000, -0.0001413900000000, 0.0015722700000000 ] - [ 0.0001034900000000, -0.0000708500000000, 0.0002710500000000 ] - [ -0.0003044700000000, -0.0010584100000000, -0.0006149500000000 ] - [ 0.0000653000000000, 0.0001289700000000, 0.0003092700000000 ] - [ 0.0000719100000000, 0.0010948700000000, 0.0003112600000000 ] - [ -0.0000960900000000, 0.0005770900000000, -0.0004527100000000 ] - [ -0.0017141300000000, -0.0027609000000000, -0.0080505700000000 ] - [ -0.0001766900000000, -0.0006286200000000, -0.0004334400000000 ] - [ 0.0016593700000000, -0.0000452300000000, -0.0031167000000000 ] - [ -0.0007250600000000, -0.0002973300000000, 0.0003128200000000 ] - [ -0.0002709900000000, -0.0005634800000000, -0.0004301200000000 ] - [ -0.0004248700000000, -0.0005098000000000, -0.0001354900000000 ] - [ -0.0008170600000000, 0.0000920900000000, 0.0006903400000000 ] - [ -0.0006934500000000, 0.0003420500000000, 0.0003877900000000 ] - [ -0.0005412100000000, 0.0007050900000000, 0.0005177800000000 ] - [ -0.0003983500000000, 0.0004446000000000, -0.0000408100000000 ] - [ -0.0003769900000000, -0.0001659800000000, 0.0011973800000000 ] - [ -0.0002476300000000, -0.0000936300000000, 0.0008024900000000 ] - [ -0.0001188600000000, 0.0000008800000000, 0.0000171500000000 ] - [ -0.0003463900000000, 0.0000538100000000, 0.0007345800000000 ] - [ 0.0001759700000000, -0.0000538200000000, -0.0015422500000000 ] - [ 0.0001617700000000, -0.0000472900000000, -0.0010890400000000 ] - [ 0.0003202200000000, 0.0000897200000000, -0.0003451200000000 ] - [ 0.0004561200000000, 0.0000801200000000, -0.0004864100000000 ] - [ 0.0007654300000000, -0.0004228700000000, 0.0005214400000000 ] - [ 0.0002036100000000, -0.0004077300000000, 0.0002440600000000 ] - [ 0.0009875900000000, -0.0002083700000000, -0.0001199300000000 ] - [ 0.0005602800000000, -0.0003837900000000, -0.0002585800000000 ] - [ -0.0001100400000000, 0.0000987200000000, 0.0001499100000000 ] - [ 0.0005933800000000, 0.0004443200000000, -0.0000369000000000 ] - [ 0.0003030300000000, 0.0005569700000000, -0.0004895600000000 ] - [ 0.0010571500000000, 0.0003891200000000, -0.0005588400000000 ] - [ 0.0030634000000000, -0.0000644000000000, -0.0022157600000000 ] - [ -0.0001121300000000, 0.0006421100000000, 0.0004383800000000 ] - [ 0.0000886600000000, -0.0005971400000000, 0.0007374800000000 ] - [ 0.0001414600000000, -0.0006411200000000, 0.0004424900000000 ] - [ 0.0002146900000000, 0.0000816400000000, -0.0004637500000000 ] - [ -0.0001302600000000, -0.0001587800000000, -0.0003360100000000 ] - [ -0.0000958300000000, 0.0000358500000000, 0.0000214500000000 ] - [ -0.0000747300000000, 0.0001595800000000, -0.0002912500000000 ] - [ 0.0004833300000000, -0.0009534300000000, -0.0004325200000000 ] - [ -0.0003143400000000, -0.0002178100000000, -0.0005617900000000 ] - [ -0.0006516400000000, 0.0003949600000000, -0.0003548700000000 ] - [ -0.0002513600000000, 0.0002126700000000, -0.0005759000000000 ]- atom: 5 displacement: [ 0.0099872533903921, 0.0000000000000000, -0.0005047471803797 ] forces: - [ -0.0006228500000000, 0.0006483300000000, -0.0019336100000000 ] - [ 0.0000384700000000, 0.0001838400000000, -0.0007658300000000 ] - [ -0.0003235200000000, -0.0000299900000000, -0.0006042500000000 ] - [ 0.0000062500000000, -0.0001896700000000, -0.0007855300000000 ] - [ -0.0236550700000000, 0.0048885200000000, -0.0011442000000000 ] - [ 0.0000497500000000, 0.0002385600000000, 0.0005019100000000 ] - [ -0.0002718200000000, -0.0003301600000000, 0.0002636600000000 ] - [ -0.0000510100000000, -0.0002508900000000, 0.0004850500000000 ] - [ 0.0000835100000000, -0.0006232500000000, 0.0000844600000000 ] - [ 0.0006187300000000, -0.0006113800000000, 0.0003193600000000 ] - [ 0.0004464800000000, 0.0003958800000000, 0.0006292400000000 ] - [ 0.0005741100000000, 0.0006108200000000, 0.0003064300000000 ] - [ -0.0021069900000000, 0.0002595900000000, 0.0001206400000000 ] - [ -0.0001039800000000, -0.0005084000000000, -0.0001445400000000 ] - [ -0.0003751000000000, 0.0005681700000000, -0.0003335700000000 ] - [ -0.0002145600000000, 0.0005043200000000, -0.0001638600000000 ] - [ 0.0002542600000000, -0.0000263400000000, 0.0008191100000000 ] - [ 0.0002075900000000, 0.0000483600000000, 0.0007996600000000 ] - [ -0.0001724000000000, 0.0002394100000000, 0.0009682300000000 ] - [ 0.0002694900000000, -0.0000268200000000, 0.0008803100000000 ] - [ 0.0008816200000000, -0.0028305600000000, -0.0041059600000000 ] - [ -0.0002228600000000, -0.0002453500000000, 0.0005268800000000 ] - [ -0.0003759500000000, 0.0002672800000000, 0.0005069700000000 ] - [ -0.0002928600000000, 0.0002407600000000, 0.0004797600000000 ] - [ 0.0006434300000000, -0.0003274900000000, -0.0005455100000000 ] - [ 0.0003571500000000, -0.0002250700000000, -0.0004588500000000 ] - [ 0.0004110700000000, 0.0001941900000000, -0.0003831100000000 ] - [ 0.0004798500000000, 0.0001556500000000, -0.0006591100000000 ] - [ 0.0001393600000000, -0.0000130200000000, -0.0005936000000000 ] - [ 0.0005665300000000, 0.0004118800000000, -0.0011414700000000 ] - [ 0.0002397000000000, -0.0000591700000000, -0.0010250900000000 ] - [ -0.0000561300000000, -0.0001427900000000, -0.0007654700000000 ] - [ 0.0005005800000000, -0.0002752300000000, 0.0001938600000000 ] - [ 0.0005183300000000, -0.0006911200000000, 0.0003485900000000 ] - [ 0.0002362000000000, 0.0004994400000000, 0.0001318200000000 ] - [ 0.0003766600000000, 0.0005209300000000, 0.0001167300000000 ] - [ 0.0014660700000000, 0.0004198900000000, 0.0017664200000000 ] - [ -0.0002493600000000, -0.0005954900000000, -0.0003536200000000 ] - [ -0.0006400800000000, 0.0006377600000000, -0.0006256500000000 ] - [ -0.0004294500000000, 0.0005942800000000, -0.0002573300000000 ] - [ 0.0002850800000000, 0.0000645100000000, -0.0004472000000000 ] - [ 0.0001641800000000, 0.0002997400000000, -0.0003881800000000 ] - [ 0.0000461700000000, -0.0002362700000000, -0.0005122300000000 ] - [ 0.0001985500000000, -0.0002576500000000, -0.0005248100000000 ] - [ 0.0000497300000000, -0.0005781400000000, 0.0016126900000000 ] - [ 0.0002451200000000, 0.0001890800000000, 0.0007468200000000 ] - [ -0.0000972800000000, -0.0001596400000000, 0.0004381100000000 ] - [ 0.0001498900000000, -0.0001874000000000, 0.0008351800000000 ] - [ -0.0019014500000000, 0.0015453600000000, -0.0009155600000000 ] - [ -0.0000109000000000, 0.0005910900000000, 0.0003658100000000 ] - [ -0.0035165700000000, -0.0010300500000000, -0.0017958700000000 ] - [ -0.0000721100000000, -0.0006091800000000, 0.0005009200000000 ] - [ -0.0003711600000000, 0.0004826500000000, -0.0007038900000000 ] - [ 0.0005200400000000, -0.0000988000000000, 0.0000300900000000 ] - [ 0.0001546400000000, 0.0000335600000000, -0.0000635200000000 ] - [ 0.0004121000000000, 0.0001206700000000, -0.0000391800000000 ] - [ 0.0027213300000000, 0.0002763000000000, -0.0030123100000000 ] - [ 0.0007201200000000, 0.0000175300000000, 0.0005895700000000 ] - [ -0.0004136300000000, 0.0001407700000000, 0.0001428800000000 ] - [ -0.0001429500000000, 0.0000980400000000, -0.0001883800000000 ] - [ -0.0001281700000000, 0.0006043600000000, 0.0000273100000000 ] - [ 0.0004693600000000, 0.0002263700000000, -0.0005988800000000 ] - [ 0.0001359900000000, -0.0005643800000000, -0.0005856600000000 ] - [ 0.0004489900000000, -0.0005738900000000, -0.0003058600000000 ] - [ 0.0004888500000000, -0.0004636500000000, 0.0005773800000000 ] - [ -0.0000180600000000, -0.0002055800000000, 0.0005743100000000 ] - [ 0.0005176000000000, 0.0002120300000000, 0.0003794000000000 ] - [ 0.0000414600000000, 0.0002088800000000, 0.0006811600000000 ] - [ 0.0037470700000000, 0.0021776500000000, 0.0026823900000000 ] - [ -0.0001444900000000, -0.0001268100000000, 0.0002641600000000 ] - [ 0.0003183900000000, 0.0001682100000000, 0.0005313100000000 ] - [ -0.0000335000000000, 0.0001019700000000, 0.0002679900000000 ] - [ 0.0003054600000000, 0.0002367600000000, -0.0007040900000000 ] - [ -0.0004047000000000, 0.0006247600000000, -0.0004838600000000 ] - [ 0.0000575800000000, -0.0004467500000000, -0.0004466100000000 ] - [ -0.0002471300000000, -0.0006048000000000, -0.0004440100000000 ] - [ 0.0031961500000000, -0.0026852800000000, 0.0061730700000000 ] - [ -0.0009853800000000, -0.0003482400000000, 0.0003616500000000 ] - [ -0.0000493700000000, -0.0008394500000000, -0.0001178600000000 ] - [ -0.0007246700000000, -0.0004617100000000, -0.0000406700000000 ] - [ -0.0003246500000000, -0.0004041000000000, 0.0012849400000000 ] - [ -0.0008013400000000, 0.0003542500000000, 0.0002985900000000 ] - [ -0.0001254600000000, 0.0010025700000000, 0.0004764400000000 ] - [ -0.0005274500000000, 0.0004734000000000, -0.0001388700000000 ] - [ 0.0066040100000000, 0.0024900500000000, -0.0007928800000000 ] - [ -0.0006634300000000, -0.0000875300000000, 0.0006899100000000 ] - [ -0.0000680800000000, -0.0000955000000000, 0.0008516200000000 ] - [ -0.0004509600000000, 0.0000985800000000, 0.0008369100000000 ] - [ 0.0001716500000000, -0.0000746300000000, -0.0007011000000000 ] - [ 0.0002804500000000, -0.0000626000000000, -0.0008495600000000 ] - [ 0.0002872700000000, 0.0000823100000000, -0.0010056800000000 ] - [ 0.0003437700000000, 0.0000797500000000, -0.0006845700000000 ] - [ 0.0002283300000000, -0.0008161700000000, -0.0002126300000000 ] - [ -0.0001968000000000, 0.0002989900000000, 0.0005096700000000 ] - [ 0.0006024000000000, 0.0001760800000000, -0.0007006600000000 ] - [ 0.0006564400000000, -0.0005134400000000, -0.0003599000000000 ] - [ 0.0003431100000000, 0.0005271600000000, 0.0002704000000000 ] - [ 0.0003937900000000, 0.0004345700000000, 0.0001004100000000 ] - [ 0.0006444400000000, 0.0002354000000000, -0.0001475600000000 ] - [ 0.0007113100000000, 0.0003617200000000, -0.0003171000000000 ] - [ 0.0001232900000000, 0.0000116800000000, 0.0015536000000000 ] - [ -0.0000741600000000, 0.0007692100000000, 0.0001519400000000 ] - [ 0.0003536900000000, -0.0006902800000000, 0.0000571800000000 ] - [ -0.0000652200000000, -0.0005827500000000, 0.0005718800000000 ] - [ 0.0000251600000000, 0.0005405500000000, 0.0007792600000000 ] - [ -0.0003341900000000, -0.0003302400000000, -0.0005645500000000 ] - [ 0.0000949900000000, 0.0001797800000000, -0.0005774400000000 ] - [ -0.0002290900000000, 0.0000535800000000, -0.0001736100000000 ] - [ 0.0077218800000000, -0.0072113200000000, 0.0013508600000000 ] - [ -0.0007630400000000, -0.0002117900000000, -0.0005313700000000 ] - [ 0.0001452600000000, 0.0002372900000000, -0.0004052600000000 ] - [ -0.0004409200000000, 0.0002051600000000, -0.0005434000000000 ]- atom: 5 displacement: [ -0.0099872533903921, 0.0000000000000000, 0.0005047471803797 ] forces: - [ 0.0004259900000000, -0.0003037600000000, 0.0003930300000000 ] - [ -0.0002380900000000, 0.0001645800000000, -0.0007822800000000 ] - [ 0.0001234600000000, -0.0003166600000000, -0.0009437600000000 ] - [ -0.0002068000000000, -0.0001575300000000, -0.0007628400000000 ] - [ 0.0236796500000000, -0.0048682500000000, 0.0023436300000000 ] - [ -0.0003011900000000, 0.0002687800000000, 0.0004445900000000 ] - [ 0.0000209100000000, -0.0001766100000000, 0.0006816500000000 ] - [ -0.0002003800000000, -0.0002556400000000, 0.0004622500000000 ] - [ 0.0008651700000000, -0.0005667200000000, 0.0005465800000000 ] - [ 0.0003290600000000, -0.0005789500000000, 0.0003113100000000 ] - [ 0.0004993000000000, 0.0007943500000000, 0.0000039300000000 ] - [ 0.0003721400000000, 0.0005818600000000, 0.0003235700000000 ] - [ 0.0015224900000000, -0.0012965500000000, -0.0004613600000000 ] - [ -0.0004786200000000, -0.0005104200000000, -0.0002003100000000 ] - [ -0.0002063500000000, 0.0004495600000000, -0.0000113100000000 ] - [ -0.0003680900000000, 0.0005132100000000, -0.0001805600000000 ] - [ -0.0000967400000000, 0.0001348400000000, 0.0008402000000000 ] - [ -0.0000491800000000, 0.0000571800000000, 0.0008608400000000 ] - [ 0.0003315500000000, -0.0003490700000000, 0.0006919700000000 ] - [ -0.0001091000000000, -0.0000832800000000, 0.0007801800000000 ] - [ -0.0016424000000000, 0.0023372600000000, 0.0050584200000000 ] - [ -0.0005363800000000, -0.0002299600000000, 0.0004776900000000 ] - [ -0.0003833900000000, 0.0002090400000000, 0.0004968900000000 ] - [ -0.0004660300000000, 0.0002363600000000, 0.0005248800000000 ] - [ 0.0001161900000000, -0.0001481500000000, -0.0004591600000000 ] - [ 0.0004014200000000, -0.0002516100000000, -0.0005450800000000 ] - [ 0.0003491800000000, 0.0002818500000000, -0.0006215200000000 ] - [ 0.0002800100000000, 0.0003218200000000, -0.0003466200000000 ] - [ -0.0002951800000000, 0.0001119600000000, -0.0010661700000000 ] - [ -0.0007247600000000, -0.0003162500000000, -0.0005154600000000 ] - [ -0.0003988800000000, -0.0000476300000000, -0.0006353100000000 ] - [ -0.0001071200000000, 0.0000363300000000, -0.0008940300000000 ] - [ 0.0000818200000000, -0.0007429900000000, 0.0001513500000000 ] - [ 0.0000675700000000, -0.0003284100000000, -0.0000012900000000 ] - [ 0.0003467300000000, 0.0005197300000000, 0.0002119400000000 ] - [ 0.0002068000000000, 0.0004978100000000, 0.0002275400000000 ] - [ -0.0024455100000000, -0.0016197900000000, -0.0024293300000000 ] - [ -0.0006970200000000, -0.0005940700000000, -0.0002773700000000 ] - [ -0.0003064900000000, 0.0005529000000000, -0.0000043400000000 ] - [ -0.0005161900000000, 0.0005974800000000, -0.0003722300000000 ] - [ -0.0000331300000000, 0.0004423000000000, -0.0004993600000000 ] - [ 0.0000876600000000, 0.0002074900000000, -0.0005573600000000 ] - [ 0.0002065200000000, -0.0002699900000000, -0.0004360000000000 ] - [ 0.0000539200000000, -0.0002485100000000, -0.0004218800000000 ] - [ 0.0001471200000000, 0.0009270700000000, -0.0000657200000000 ] - [ -0.0000447000000000, 0.0001582900000000, 0.0008000900000000 ] - [ 0.0002993400000000, -0.0001895400000000, 0.0011099900000000 ] - [ 0.0000507100000000, -0.0001611600000000, 0.0007130800000000 ] - [ 0.0012940400000000, -0.0003842000000000, 0.0016299800000000 ] - [ -0.0006128800000000, 0.0005805500000000, 0.0003597600000000 ] - [ 0.0028901600000000, -0.0001481900000000, 0.0025267300000000 ] - [ -0.0005520100000000, -0.0005619200000000, 0.0002237500000000 ] - [ 0.0008828700000000, -0.0006933300000000, 0.0006961200000000 ] - [ -0.0000046500000000, -0.0001266200000000, -0.0000352000000000 ] - [ 0.0003591700000000, 0.0001926300000000, 0.0000572900000000 ] - [ 0.0001027800000000, 0.0001051500000000, 0.0000334700000000 ] - [ -0.0032598500000000, -0.0004845700000000, 0.0030080400000000 ] - [ -0.0012280800000000, -0.0002411700000000, -0.0005808100000000 ] - [ -0.0001011000000000, 0.0000853300000000, -0.0001376900000000 ] - [ -0.0003727100000000, 0.0001283700000000, 0.0001935800000000 ] - [ 0.0007584400000000, 0.0005662900000000, -0.0007530200000000 ] - [ 0.0001553900000000, 0.0009378800000000, -0.0001276600000000 ] - [ 0.0004904500000000, -0.0006067400000000, -0.0001390400000000 ] - [ 0.0001751700000000, -0.0005963800000000, -0.0004186900000000 ] - [ -0.0000062900000000, 0.0000442500000000, 0.0005868500000000 ] - [ 0.0005020900000000, -0.0002157200000000, 0.0005885400000000 ] - [ -0.0000339400000000, 0.0002096400000000, 0.0007834900000000 ] - [ 0.0004431500000000, 0.0002128700000000, 0.0004830000000000 ] - [ -0.0035640300000000, -0.0023895800000000, -0.0020788400000000 ] - [ 0.0003068400000000, -0.0001103800000000, 0.0003271800000000 ] - [ -0.0001559100000000, 0.0000689500000000, 0.0000601800000000 ] - [ 0.0001964100000000, 0.0001349600000000, 0.0003232600000000 ] - [ -0.0005774400000000, 0.0009945200000000, -0.0001639700000000 ] - [ 0.0001324900000000, 0.0006134600000000, -0.0003826400000000 ] - [ -0.0003287700000000, -0.0007918300000000, -0.0004182700000000 ] - [ -0.0000232900000000, -0.0006323700000000, -0.0004223700000000 ] - [ -0.0046705800000000, 0.0020186900000000, -0.0054873100000000 ] - [ -0.0004349100000000, -0.0003238200000000, 0.0003235400000000 ] - [ -0.0007904800000000, -0.0000935800000000, -0.0000660000000000 ] - [ -0.0001151900000000, -0.0004740400000000, -0.0001442500000000 ] - [ -0.0010966200000000, 0.0010765400000000, -0.0006007600000000 ] - [ -0.0006191900000000, 0.0003174400000000, 0.0003861200000000 ] - [ -0.0007135100000000, -0.0000666900000000, -0.0006595500000000 ] - [ -0.0003123000000000, 0.0004626100000000, -0.0000459900000000 ] - [ -0.0070072200000000, -0.0025124700000000, 0.0022516600000000 ] - [ 0.0001037000000000, -0.0000851400000000, 0.0009364400000000 ] - [ -0.0004925900000000, 0.0002731200000000, 0.0007787900000000 ] - [ -0.0001087100000000, 0.0000746800000000, 0.0007884500000000 ] - [ 0.0003884700000000, -0.0000980600000000, -0.0009247900000000 ] - [ 0.0002812000000000, -0.0001101200000000, -0.0007769900000000 ] - [ 0.0002722200000000, 0.0000917900000000, -0.0006205900000000 ] - [ 0.0002177600000000, 0.0000941300000000, -0.0009389800000000 ] - [ 0.0006132200000000, -0.0001159900000000, 0.0003998700000000 ] - [ 0.0010281300000000, -0.0012241000000000, -0.0003177800000000 ] - [ 0.0008175200000000, -0.0008481300000000, 0.0000166500000000 ] - [ 0.0007669300000000, -0.0001553700000000, -0.0003261900000000 ] - [ 0.0004969000000000, 0.0004087000000000, -0.0000854900000000 ] - [ 0.0004470000000000, 0.0005016000000000, 0.0000845300000000 ] - [ 0.0007765800000000, 0.0004369200000000, -0.0005368300000000 ] - [ 0.0007120800000000, 0.0003088300000000, -0.0003661100000000 ] - [ 0.0001569000000000, 0.0012192500000000, -0.0006876100000000 ] - [ 0.0003455000000000, 0.0004688400000000, 0.0007124000000000 ] - [ -0.0000819600000000, -0.0005478500000000, 0.0008097000000000 ] - [ 0.0003374600000000, -0.0006537600000000, 0.0002945900000000 ] - [ -0.0001853300000000, -0.0007782500000000, -0.0013737100000000 ] - [ 0.0001707100000000, 0.0000917100000000, -0.0000286500000000 ] - [ -0.0002566300000000, 0.0000583700000000, -0.0000128900000000 ] - [ 0.0000670400000000, 0.0001824000000000, -0.0004166100000000 ] - [ -0.0086009100000000, 0.0071282600000000, -0.0025450800000000 ] - [ 0.0002770000000000, -0.0002099300000000, -0.0006313300000000 ] - [ -0.0006293700000000, 0.0001844800000000, -0.0007572500000000 ] - [ -0.0000423500000000, 0.0002165500000000, -0.0006199500000000 ]- atom: 5 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0003938900000000, 0.0002891100000000, -0.0018617400000000 ] - [ -0.0001297700000000, 0.0001553100000000, -0.0007690100000000 ] - [ -0.0001544900000000, 0.0000006000000000, -0.0004993100000000 ] - [ -0.0000834300000000, -0.0001342200000000, -0.0007594400000000 ] - [ 0.0049008100000000, -0.0284030500000000, 0.0008020000000000 ] - [ -0.0001425000000000, 0.0001894400000000, 0.0004512400000000 ] - [ -0.0000569900000000, -0.0003480000000000, 0.0003223400000000 ] - [ -0.0001280100000000, -0.0002425900000000, 0.0004691200000000 ] - [ 0.0004295000000000, -0.0001628100000000, 0.0001630000000000 ] - [ 0.0004634200000000, -0.0005443700000000, 0.0003255400000000 ] - [ 0.0005157300000000, 0.0002644200000000, 0.0014384200000000 ] - [ 0.0004890500000000, 0.0005684400000000, 0.0003258100000000 ] - [ -0.0000178500000000, 0.0048010100000000, -0.0009377900000000 ] - [ -0.0002983300000000, -0.0004360000000000, -0.0002119500000000 ] - [ -0.0002481900000000, 0.0005907000000000, -0.0002740200000000 ] - [ -0.0002924500000000, 0.0004934500000000, -0.0001741000000000 ] - [ 0.0000685500000000, 0.0001451100000000, 0.0007255100000000 ] - [ 0.0000785000000000, 0.0000098700000000, 0.0008465000000000 ] - [ -0.0001321500000000, 0.0002267900000000, 0.0010227900000000 ] - [ 0.0001363600000000, -0.0000220500000000, 0.0008474000000000 ] - [ -0.0026938500000000, -0.0009952000000000, 0.0036597400000000 ] - [ -0.0003197900000000, -0.0003327200000000, 0.0005206700000000 ] - [ -0.0003452200000000, 0.0001461200000000, 0.0007324600000000 ] - [ -0.0003837300000000, 0.0002531300000000, 0.0005374500000000 ] - [ 0.0002683700000000, -0.0001176700000000, -0.0004677400000000 ] - [ 0.0005196400000000, -0.0001176100000000, -0.0004965100000000 ] - [ 0.0004090300000000, 0.0001840800000000, -0.0004563400000000 ] - [ 0.0004262200000000, 0.0000600000000000, -0.0004433700000000 ] - [ -0.0001777300000000, 0.0001978600000000, -0.0008874300000000 ] - [ 0.0001759600000000, 0.0006181500000000, -0.0009643100000000 ] - [ -0.0001712300000000, -0.0000938300000000, -0.0007051800000000 ] - [ -0.0004439500000000, -0.0000290400000000, -0.0009702800000000 ] - [ 0.0005233200000000, -0.0007453100000000, 0.0000052900000000 ] - [ 0.0000977500000000, -0.0004739500000000, 0.0001073500000000 ] - [ 0.0002986000000000, 0.0005786400000000, 0.0002056500000000 ] - [ 0.0002949900000000, 0.0005604500000000, 0.0001493600000000 ] - [ 0.0006554200000000, -0.0019499700000000, -0.0001271100000000 ] - [ -0.0004372900000000, -0.0007664200000000, -0.0002869500000000 ] - [ -0.0004260800000000, 0.0005736700000000, -0.0001687900000000 ] - [ -0.0004830900000000, 0.0006062300000000, -0.0002928100000000 ] - [ 0.0003092400000000, 0.0005426200000000, -0.0005666500000000 ] - [ 0.0000808400000000, 0.0003148900000000, -0.0004635500000000 ] - [ 0.0001457800000000, -0.0002811800000000, -0.0004186300000000 ] - [ 0.0001199000000000, -0.0002822300000000, -0.0005069100000000 ] - [ 0.0002406500000000, 0.0008741600000000, 0.0005228100000000 ] - [ 0.0001370700000000, 0.0002529800000000, 0.0007762100000000 ] - [ 0.0001489100000000, -0.0002022100000000, 0.0009203200000000 ] - [ 0.0000723400000000, -0.0001961700000000, 0.0007848700000000 ] - [ 0.0005463200000000, -0.0014504500000000, 0.0025939800000000 ] - [ -0.0003775300000000, 0.0005437500000000, 0.0004629400000000 ] - [ -0.0016444400000000, -0.0007587100000000, -0.0019311700000000 ] - [ -0.0002849800000000, -0.0005953700000000, 0.0002694800000000 ] - [ 0.0001203500000000, 0.0050123000000000, -0.0013334400000000 ] - [ 0.0002837000000000, -0.0001136700000000, -0.0000173000000000 ] - [ -0.0000135400000000, 0.0002496500000000, -0.0000060500000000 ] - [ 0.0002779100000000, 0.0001253000000000, 0.0000295100000000 ] - [ -0.0007891400000000, -0.0003560700000000, 0.0024945100000000 ] - [ 0.0001335800000000, -0.0002543400000000, 0.0004630800000000 ] - [ -0.0005304300000000, -0.0000970100000000, -0.0000359600000000 ] - [ -0.0002724600000000, 0.0000514000000000, -0.0001716400000000 ] - [ 0.0016513400000000, 0.0010154500000000, -0.0002026900000000 ] - [ 0.0003296000000000, 0.0009422800000000, -0.0003501100000000 ] - [ 0.0004076000000000, -0.0005773900000000, -0.0003814600000000 ] - [ 0.0002999100000000, -0.0005183500000000, -0.0004382500000000 ] - [ -0.0005984700000000, -0.0007779300000000, 0.0012636200000000 ] - [ 0.0002739400000000, -0.0002369300000000, 0.0005904900000000 ] - [ 0.0003314500000000, 0.0000971800000000, 0.0002455000000000 ] - [ 0.0002573900000000, 0.0001990500000000, 0.0005969200000000 ] - [ 0.0022454100000000, 0.0069026200000000, 0.0059237900000000 ] - [ 0.0000758400000000, -0.0000806900000000, 0.0002927600000000 ] - [ 0.0000900300000000, -0.0000563100000000, 0.0001905500000000 ] - [ 0.0000833800000000, 0.0000311100000000, 0.0002466000000000 ] - [ -0.0005153300000000, -0.0008194300000000, -0.0009701000000000 ] - [ -0.0001414200000000, 0.0005640800000000, -0.0004209000000000 ] - [ -0.0001130200000000, -0.0005941900000000, -0.0003128200000000 ] - [ -0.0001193300000000, -0.0005545900000000, -0.0004676400000000 ] - [ -0.0030588100000000, 0.0035625700000000, -0.0045809200000000 ] - [ -0.0006184400000000, -0.0002614800000000, 0.0002977200000000 ] - [ -0.0003662100000000, -0.0008118300000000, -0.0013651300000000 ] - [ -0.0002742900000000, -0.0005252700000000, -0.0001764700000000 ] - [ -0.0006370500000000, -0.0002714700000000, 0.0006741100000000 ] - [ -0.0007408500000000, 0.0002660200000000, 0.0003567200000000 ] - [ -0.0002571700000000, 0.0014655900000000, 0.0000525900000000 ] - [ -0.0004800200000000, 0.0005539900000000, -0.0000699100000000 ] - [ 0.0031339500000000, 0.0039642200000000, -0.0001064100000000 ] - [ -0.0002135500000000, -0.0000942000000000, 0.0008776500000000 ] - [ -0.0004557500000000, 0.0006463100000000, 0.0013804600000000 ] - [ -0.0002816200000000, 0.0000814400000000, 0.0007453600000000 ] - [ 0.0001753600000000, -0.0001039200000000, -0.0007094500000000 ] - [ 0.0003940300000000, -0.0001676200000000, -0.0006294300000000 ] - [ -0.0000006400000000, 0.0001287700000000, -0.0010719400000000 ] - [ 0.0003028300000000, 0.0000609300000000, -0.0009247200000000 ] - [ 0.0000197700000000, -0.0002310400000000, 0.0001107800000000 ] - [ 0.0010181800000000, -0.0006034900000000, -0.0001988700000000 ] - [ 0.0003403500000000, -0.0009684500000000, -0.0000714900000000 ] - [ 0.0006808800000000, -0.0005902300000000, -0.0003242300000000 ] - [ 0.0004233000000000, 0.0003677400000000, 0.0000026100000000 ] - [ 0.0003626000000000, 0.0003650600000000, 0.0000744000000000 ] - [ 0.0007155400000000, 0.0004384600000000, -0.0004419900000000 ] - [ 0.0007581700000000, 0.0003269800000000, -0.0002919100000000 ] - [ -0.0004011400000000, 0.0014634200000000, 0.0000333200000000 ] - [ 0.0002276400000000, 0.0007942400000000, 0.0002869300000000 ] - [ 0.0002431500000000, -0.0007868100000000, 0.0005964000000000 ] - [ 0.0000479900000000, -0.0006787900000000, 0.0005200300000000 ] - [ -0.0004865700000000, -0.0008570600000000, -0.0008213200000000 ] - [ -0.0001558600000000, -0.0002495900000000, -0.0004013600000000 ] - [ -0.0000775000000000, 0.0005962900000000, -0.0004524300000000 ] - [ -0.0001210900000000, 0.0002063600000000, -0.0002779700000000 ] - [ -0.0063309600000000, 0.0071278800000000, -0.0029515300000000 ] - [ -0.0003705900000000, -0.0001906900000000, -0.0006175200000000 ] - [ -0.0001214600000000, 0.0002343400000000, -0.0005437400000000 ] - [ -0.0002355800000000, 0.0002279500000000, -0.0005564600000000 ]- atom: 5 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0005940400000000, 0.0000630500000000, 0.0003195500000000 ] - [ -0.0000711000000000, 0.0001937300000000, -0.0007789700000000 ] - [ -0.0000460800000000, -0.0003475700000000, -0.0010494700000000 ] - [ -0.0001177600000000, -0.0002128600000000, -0.0007886500000000 ] - [ -0.0048772700000000, 0.0289468200000000, 0.0005873600000000 ] - [ -0.0001099200000000, 0.0003176500000000, 0.0004935500000000 ] - [ -0.0001952600000000, -0.0001575600000000, 0.0006249300000000 ] - [ -0.0001237200000000, -0.0002635700000000, 0.0004775300000000 ] - [ 0.0005156400000000, -0.0010269000000000, 0.0004688100000000 ] - [ 0.0004829800000000, -0.0006462100000000, 0.0003050700000000 ] - [ 0.0004300200000000, 0.0009236600000000, -0.0008086700000000 ] - [ 0.0004577300000000, 0.0006233100000000, 0.0003043300000000 ] - [ -0.0005573100000000, -0.0057208300000000, 0.0005754700000000 ] - [ -0.0002850700000000, -0.0005825000000000, -0.0001330200000000 ] - [ -0.0003340100000000, 0.0004260800000000, -0.0000696200000000 ] - [ -0.0002909600000000, 0.0005242800000000, -0.0001705200000000 ] - [ 0.0000884400000000, -0.0000360500000000, 0.0009353400000000 ] - [ 0.0000790800000000, 0.0000947600000000, 0.0008141800000000 ] - [ 0.0002915400000000, -0.0003370200000000, 0.0006370900000000 ] - [ 0.0000220500000000, -0.0000839000000000, 0.0008135500000000 ] - [ 0.0019345900000000, 0.0005354800000000, -0.0026595200000000 ] - [ -0.0004395600000000, -0.0001441300000000, 0.0004833000000000 ] - [ -0.0004139900000000, 0.0003304300000000, 0.0002757700000000 ] - [ -0.0003757500000000, 0.0002239400000000, 0.0004669800000000 ] - [ 0.0004912300000000, -0.0003578600000000, -0.0005364800000000 ] - [ 0.0002430400000000, -0.0003578800000000, -0.0005080700000000 ] - [ 0.0003503500000000, 0.0002929700000000, -0.0005479700000000 ] - [ 0.0003336900000000, 0.0004177000000000, -0.0005614800000000 ] - [ 0.0000205200000000, -0.0000942900000000, -0.0007723400000000 ] - [ -0.0003364800000000, -0.0005191500000000, -0.0006934900000000 ] - [ 0.0000132500000000, -0.0000105800000000, -0.0009553100000000 ] - [ 0.0002831400000000, -0.0000782600000000, -0.0006917100000000 ] - [ 0.0000581300000000, -0.0002704800000000, 0.0003390600000000 ] - [ 0.0004855100000000, -0.0005421800000000, 0.0002377100000000 ] - [ 0.0002830600000000, 0.0004401200000000, 0.0001375500000000 ] - [ 0.0002861900000000, 0.0004580600000000, 0.0001939000000000 ] - [ -0.0015940100000000, 0.0007644400000000, -0.0004995800000000 ] - [ -0.0005100200000000, -0.0004235600000000, -0.0003433000000000 ] - [ -0.0005211700000000, 0.0006170500000000, -0.0004614800000000 ] - [ -0.0004625600000000, 0.0005856300000000, -0.0003377000000000 ] - [ -0.0000590800000000, -0.0000367000000000, -0.0003791500000000 ] - [ 0.0001714600000000, 0.0001923000000000, -0.0004824200000000 ] - [ 0.0001063100000000, -0.0002247400000000, -0.0005271200000000 ] - [ 0.0001322300000000, -0.0002241300000000, -0.0004402500000000 ] - [ -0.0000442700000000, -0.0005270900000000, 0.0010263800000000 ] - [ 0.0000638400000000, 0.0000946300000000, 0.0007697100000000 ] - [ 0.0000517400000000, -0.0001463600000000, 0.0006279100000000 ] - [ 0.0001280500000000, -0.0001520500000000, 0.0007628900000000 ] - [ -0.0011789500000000, 0.0025966300000000, -0.0018652100000000 ] - [ -0.0002473000000000, 0.0006279200000000, 0.0002623500000000 ] - [ 0.0010225200000000, -0.0004096800000000, 0.0026610000000000 ] - [ -0.0003396100000000, -0.0005755500000000, 0.0004557100000000 ] - [ 0.0003869100000000, -0.0052743500000000, 0.0013136000000000 ] - [ 0.0002305800000000, -0.0001117300000000, 0.0000114200000000 ] - [ 0.0005275000000000, -0.0000218000000000, 0.0000008100000000 ] - [ 0.0002366300000000, 0.0001008000000000, -0.0000351000000000 ] - [ 0.0002793300000000, 0.0001417200000000, -0.0024947200000000 ] - [ -0.0006489700000000, 0.0000276600000000, -0.0004576400000000 ] - [ 0.0000169600000000, 0.0003240800000000, 0.0000424300000000 ] - [ -0.0002419400000000, 0.0001750600000000, 0.0001778200000000 ] - [ -0.0010252300000000, 0.0001545700000000, -0.0005234300000000 ] - [ 0.0002949400000000, 0.0002279200000000, -0.0003754200000000 ] - [ 0.0002169800000000, -0.0005931500000000, -0.0003429000000000 ] - [ 0.0003244500000000, -0.0006511700000000, -0.0002859600000000 ] - [ 0.0010846600000000, 0.0003591700000000, -0.0001013700000000 ] - [ 0.0002099200000000, -0.0001843700000000, 0.0005730300000000 ] - [ 0.0001520000000000, 0.0003247400000000, 0.0009177300000000 ] - [ 0.0002263900000000, 0.0002231700000000, 0.0005667100000000 ] - [ -0.0022076600000000, -0.0074690700000000, -0.0056371000000000 ] - [ 0.0000863000000000, -0.0001563200000000, 0.0002985400000000 ] - [ 0.0000729900000000, 0.0002919900000000, 0.0003981500000000 ] - [ 0.0000790700000000, 0.0002063900000000, 0.0003447500000000 ] - [ 0.0002475800000000, 0.0020464500000000, 0.0001077500000000 ] - [ -0.0001302900000000, 0.0006740200000000, -0.0004453300000000 ] - [ -0.0001581300000000, -0.0006452200000000, -0.0005515000000000 ] - [ -0.0001517100000000, -0.0006824700000000, -0.0003986500000000 ] - [ 0.0016356000000000, -0.0041943100000000, 0.0052612900000000 ] - [ -0.0008022400000000, -0.0004101800000000, 0.0003875000000000 ] - [ -0.0004727300000000, -0.0001281600000000, 0.0011606900000000 ] - [ -0.0005651700000000, -0.0004100700000000, -0.0000083700000000 ] - [ -0.0007853700000000, 0.0009464800000000, 0.0000049600000000 ] - [ -0.0006801400000000, 0.0004060500000000, 0.0003280400000000 ] - [ -0.0005821500000000, -0.0005304900000000, -0.0002331300000000 ] - [ -0.0003600400000000, 0.0003822600000000, -0.0001150800000000 ] - [ -0.0036098200000000, -0.0040794400000000, 0.0016489900000000 ] - [ -0.0003464400000000, -0.0000782900000000, 0.0007480000000000 ] - [ -0.0001039100000000, -0.0004701400000000, 0.0002436700000000 ] - [ -0.0002782300000000, 0.0000920400000000, 0.0008804300000000 ] - [ 0.0003852900000000, -0.0000688900000000, -0.0009167400000000 ] - [ 0.0001650700000000, -0.0000060700000000, -0.0009969400000000 ] - [ 0.0005607100000000, 0.0000458100000000, -0.0005544300000000 ] - [ 0.0002577300000000, 0.0001134700000000, -0.0007007000000000 ] - [ 0.0008209500000000, -0.0007029500000000, 0.0000754700000000 ] - [ -0.0001818300000000, -0.0003301700000000, 0.0003856500000000 ] - [ 0.0010791600000000, 0.0002984400000000, -0.0006126900000000 ] - [ 0.0007404100000000, -0.0000795600000000, -0.0003608800000000 ] - [ 0.0004166400000000, 0.0005686300000000, 0.0001823100000000 ] - [ 0.0004764800000000, 0.0005705900000000, 0.0001095100000000 ] - [ 0.0007053900000000, 0.0002331300000000, -0.0002415700000000 ] - [ 0.0006648500000000, 0.0003431000000000, -0.0003900000000000 ] - [ 0.0006740500000000, -0.0002275200000000, 0.0008357000000000 ] - [ 0.0000444600000000, 0.0004436300000000, 0.0005791600000000 ] - [ 0.0000274200000000, -0.0004500800000000, 0.0002692400000000 ] - [ 0.0002232900000000, -0.0005581400000000, 0.0003458900000000 ] - [ 0.0003230300000000, 0.0006211800000000, 0.0002303700000000 ] - [ -0.0000073600000000, 0.0000134700000000, -0.0001892200000000 ] - [ -0.0000848300000000, -0.0003610900000000, -0.0001382900000000 ] - [ -0.0000421900000000, 0.0000303300000000, -0.0003134200000000 ] - [ 0.0056163600000000, -0.0074435200000000, 0.0017684000000000 ] - [ -0.0001134900000000, -0.0002307700000000, -0.0005461200000000 ] - [ -0.0003626700000000, 0.0001879300000000, -0.0006198500000000 ] - [ -0.0002486200000000, 0.0001942100000000, -0.0006069200000000 ]- atom: 5 displacement: [ -0.0007714822112317, 0.0000000000000000, 0.0099701963470011 ] forces: - [ -0.0013443200000000, -0.0010340400000000, 0.0002680900000000 ] - [ -0.0000445500000000, 0.0000986800000000, -0.0007777000000000 ] - [ 0.0000967200000000, -0.0003078400000000, -0.0006443000000000 ] - [ -0.0001210100000000, -0.0001919000000000, -0.0007579600000000 ] - [ -0.0022138000000000, 0.0001990300000000, -0.0379784800000000 ] - [ -0.0001128100000000, 0.0002345400000000, 0.0004403200000000 ] - [ -0.0002971800000000, -0.0000963500000000, 0.0009915000000000 ] - [ -0.0001192000000000, -0.0002490700000000, 0.0005048400000000 ] - [ 0.0001498100000000, -0.0003194100000000, 0.0003095400000000 ] - [ 0.0004941400000000, -0.0005683900000000, 0.0003093600000000 ] - [ 0.0006866300000000, 0.0007213200000000, 0.0006789500000000 ] - [ 0.0004707100000000, 0.0006041800000000, 0.0003321700000000 ] - [ 0.0001429700000000, -0.0004358300000000, -0.0018505100000000 ] - [ -0.0002686100000000, -0.0004851000000000, -0.0002034400000000 ] - [ -0.0004208700000000, 0.0003719500000000, 0.0003749000000000 ] - [ -0.0002847500000000, 0.0005074000000000, -0.0001374000000000 ] - [ 0.0003024700000000, -0.0009077200000000, 0.0014731900000000 ] - [ 0.0000666400000000, 0.0000356500000000, 0.0008269100000000 ] - [ -0.0000077600000000, -0.0002081600000000, 0.0008647700000000 ] - [ 0.0001083800000000, -0.0000478200000000, 0.0008377800000000 ] - [ -0.0037094100000000, 0.0022981900000000, 0.0044188300000000 ] - [ -0.0003519000000000, -0.0002709000000000, 0.0005188800000000 ] - [ -0.0003374100000000, 0.0004956400000000, 0.0007444400000000 ] - [ -0.0003842300000000, 0.0002395800000000, 0.0005011700000000 ] - [ 0.0003447700000000, -0.0002189200000000, -0.0004553000000000 ] - [ 0.0007091000000000, -0.0001676500000000, -0.0004370900000000 ] - [ 0.0004274400000000, 0.0002303700000000, -0.0005097500000000 ] - [ 0.0001469400000000, 0.0003479300000000, -0.0003987100000000 ] - [ -0.0001248000000000, 0.0001281100000000, -0.0008975600000000 ] - [ -0.0006045200000000, -0.0003215500000000, -0.0003086500000000 ] - [ -0.0001949500000000, -0.0000296500000000, -0.0007454600000000 ] - [ 0.0009585300000000, 0.0001311700000000, -0.0001538200000000 ] - [ 0.0002879600000000, -0.0006558500000000, 0.0000392600000000 ] - [ 0.0005352500000000, -0.0006229900000000, -0.0001487800000000 ] - [ 0.0002556300000000, 0.0004894200000000, 0.0002447300000000 ] - [ 0.0002279500000000, 0.0005155700000000, 0.0003519900000000 ] - [ 0.0008776700000000, -0.0007965500000000, -0.0002608800000000 ] - [ -0.0006643600000000, -0.0006166100000000, -0.0003038100000000 ] - [ -0.0006064200000000, 0.0006192300000000, -0.0002162200000000 ] - [ -0.0003694100000000, 0.0005936200000000, -0.0003080400000000 ] - [ 0.0001358300000000, 0.0003607000000000, -0.0005454900000000 ] - [ 0.0001955500000000, 0.0002402900000000, -0.0007174300000000 ] - [ 0.0000998900000000, -0.0002010600000000, -0.0003843900000000 ] - [ 0.0000798600000000, -0.0002854300000000, -0.0002543500000000 ] - [ 0.0003682300000000, 0.0005629000000000, 0.0006188200000000 ] - [ -0.0000402900000000, 0.0002079500000000, 0.0007764600000000 ] - [ 0.0000100600000000, -0.0001591800000000, 0.0009266900000000 ] - [ 0.0002315500000000, -0.0001471400000000, 0.0007933500000000 ] - [ -0.0021218600000000, 0.0049086500000000, 0.0045915600000000 ] - [ -0.0001935300000000, 0.0006333600000000, 0.0003651200000000 ] - [ 0.0006400100000000, -0.0014413200000000, 0.0041043400000000 ] - [ -0.0003305600000000, -0.0005878600000000, 0.0003529200000000 ] - [ -0.0004342800000000, 0.0010653900000000, -0.0034004000000000 ] - [ 0.0002438700000000, -0.0001108300000000, -0.0001388300000000 ] - [ 0.0003707900000000, -0.0001914600000000, 0.0007358500000000 ] - [ 0.0003025900000000, 0.0001007300000000, 0.0001131700000000 ] - [ -0.0009535500000000, 0.0006097500000000, -0.0002121800000000 ] - [ -0.0003209400000000, 0.0001413000000000, -0.0008958800000000 ] - [ -0.0002831100000000, 0.0000026800000000, 0.0003028800000000 ] - [ -0.0001113500000000, 0.0001648400000000, 0.0005048700000000 ] - [ 0.0012029900000000, 0.0008375000000000, -0.0003414500000000 ] - [ 0.0001697300000000, 0.0006525600000000, -0.0001291900000000 ] - [ 0.0001514900000000, -0.0006447800000000, -0.0003655800000000 ] - [ 0.0006676700000000, -0.0007769900000000, -0.0003336300000000 ] - [ -0.0001748800000000, 0.0000507100000000, 0.0014319400000000 ] - [ 0.0002017700000000, -0.0001950600000000, 0.0007313600000000 ] - [ 0.0004452400000000, 0.0002634800000000, 0.0001294900000000 ] - [ 0.0002417300000000, 0.0002332300000000, 0.0004551300000000 ] - [ 0.0020403700000000, 0.0038921300000000, 0.0086852000000000 ] - [ 0.0001592500000000, -0.0001087200000000, 0.0003419600000000 ] - [ 0.0001565800000000, -0.0000863900000000, -0.0000501500000000 ] - [ 0.0000110800000000, 0.0000935200000000, 0.0002426400000000 ] - [ -0.0002407600000000, -0.0000556300000000, -0.0001948500000000 ] - [ -0.0000666800000000, 0.0006196700000000, -0.0003836100000000 ] - [ -0.0001132000000000, -0.0000295600000000, -0.0012524600000000 ] - [ -0.0002120400000000, -0.0005656900000000, -0.0004981000000000 ] - [ 0.0059318800000000, -0.0068106300000000, 0.0175851900000000 ] - [ -0.0006740500000000, -0.0003349400000000, 0.0003713000000000 ] - [ -0.0006892800000000, -0.0016369300000000, -0.0000175300000000 ] - [ -0.0004535700000000, -0.0005070500000000, -0.0000370400000000 ] - [ -0.0005329200000000, 0.0008734800000000, -0.0004014300000000 ] - [ -0.0007385600000000, 0.0003306400000000, 0.0003164600000000 ] - [ -0.0002438500000000, 0.0001809400000000, -0.0009703300000000 ] - [ -0.0004460500000000, 0.0004769600000000, -0.0001279200000000 ] - [ -0.0032898000000000, -0.0012287300000000, 0.0035269700000000 ] - [ -0.0002718000000000, -0.0000830600000000, 0.0008357800000000 ] - [ -0.0004918700000000, -0.0003539900000000, -0.0003428500000000 ] - [ -0.0003090200000000, 0.0000857600000000, 0.0007371500000000 ] - [ 0.0002932500000000, -0.0000910600000000, -0.0007415700000000 ] - [ -0.0000670300000000, 0.0001135800000000, -0.0006306100000000 ] - [ 0.0000996700000000, 0.0001079100000000, -0.0009955200000000 ] - [ 0.0003718900000000, 0.0001063300000000, -0.0010005400000000 ] - [ 0.0002010300000000, -0.0003817600000000, 0.0001952000000000 ] - [ 0.0009137700000000, -0.0007295300000000, 0.0001271800000000 ] - [ 0.0004957200000000, -0.0007349100000000, -0.0000973300000000 ] - [ 0.0009701900000000, -0.0000874500000000, -0.0003327400000000 ] - [ 0.0004721000000000, 0.0005094900000000, 0.0000398200000000 ] - [ 0.0002764000000000, 0.0004362700000000, -0.0000670200000000 ] - [ 0.0007595900000000, 0.0003591000000000, -0.0004476400000000 ] - [ 0.0002553700000000, 0.0006429500000000, -0.0006995700000000 ] - [ 0.0008694500000000, 0.0004681600000000, 0.0003057500000000 ] - [ -0.0002954000000000, 0.0004171300000000, 0.0007650200000000 ] - [ -0.0001035100000000, -0.0006535700000000, 0.0004447500000000 ] - [ 0.0002312000000000, -0.0007490500000000, 0.0001317400000000 ] - [ 0.0002881200000000, -0.0002172300000000, 0.0000579900000000 ] - [ -0.0001599500000000, 0.0000013200000000, -0.0001192800000000 ] - [ -0.0003270900000000, 0.0002502300000000, -0.0005243100000000 ] - [ -0.0000547000000000, 0.0002519600000000, -0.0005556700000000 ] - [ 0.0001083400000000, -0.0015296200000000, 0.0011722600000000 ] - [ -0.0003140000000000, -0.0002247500000000, -0.0003862800000000 ] - [ -0.0000393000000000, 0.0001878000000000, -0.0010647400000000 ] - [ -0.0002727700000000, 0.0001907100000000, -0.0006961500000000 ]- atom: 5 displacement: [ 0.0007714822112317, 0.0000000000000000, -0.0099701963470011 ] forces: - [ 0.0011360600000000, 0.0013735100000000, -0.0018051500000000 ] - [ -0.0001558700000000, 0.0002497900000000, -0.0007697800000000 ] - [ -0.0002980900000000, -0.0000381100000000, -0.0009026500000000 ] - [ -0.0000796500000000, -0.0001550900000000, -0.0007899100000000 ] - [ 0.0014707800000000, 0.0007341100000000, 0.0383484300000000 ] - [ -0.0001392300000000, 0.0002729800000000, 0.0005065300000000 ] - [ 0.0000445300000000, -0.0004096300000000, -0.0000450700000000 ] - [ -0.0001324700000000, -0.0002575500000000, 0.0004409000000000 ] - [ 0.0007953800000000, -0.0008710300000000, 0.0003218700000000 ] - [ 0.0004531100000000, -0.0006221100000000, 0.0003217600000000 ] - [ 0.0002599000000000, 0.0004657600000000, -0.0000459400000000 ] - [ 0.0004765500000000, 0.0005872300000000, 0.0002988400000000 ] - [ -0.0007294300000000, -0.0006031200000000, 0.0015084200000000 ] - [ -0.0003134200000000, -0.0005337000000000, -0.0001409200000000 ] - [ -0.0001622700000000, 0.0006444000000000, -0.0007191400000000 ] - [ -0.0002979300000000, 0.0005098700000000, -0.0002068500000000 ] - [ -0.0001436000000000, 0.0010180400000000, 0.0001910600000000 ] - [ 0.0000915700000000, 0.0000687000000000, 0.0008335000000000 ] - [ 0.0001649800000000, 0.0001052400000000, 0.0007964000000000 ] - [ 0.0000504800000000, -0.0000567700000000, 0.0008229700000000 ] - [ 0.0030108500000000, -0.0028188300000000, -0.0034615200000000 ] - [ -0.0004072200000000, -0.0002049900000000, 0.0004858500000000 ] - [ -0.0004216600000000, -0.0000177900000000, 0.0002611700000000 ] - [ -0.0003748800000000, 0.0002371600000000, 0.0005031200000000 ] - [ 0.0004149900000000, -0.0002577900000000, -0.0005487700000000 ] - [ 0.0000514000000000, -0.0003085300000000, -0.0005664300000000 ] - [ 0.0003318000000000, 0.0002462800000000, -0.0004938600000000 ] - [ 0.0006133900000000, 0.0001274600000000, -0.0006054200000000 ] - [ -0.0000328700000000, -0.0000246900000000, -0.0007614000000000 ] - [ 0.0004437000000000, 0.0004198700000000, -0.0013503300000000 ] - [ 0.0000369500000000, -0.0000737000000000, -0.0009147600000000 ] - [ -0.0011207300000000, -0.0002404700000000, -0.0015015400000000 ] - [ 0.0002934900000000, -0.0003604000000000, 0.0003043000000000 ] - [ 0.0000474300000000, -0.0003943600000000, 0.0004927700000000 ] - [ 0.0003266400000000, 0.0005297800000000, 0.0000996900000000 ] - [ 0.0003545200000000, 0.0005033300000000, -0.0000074300000000 ] - [ -0.0018289600000000, -0.0003975600000000, -0.0003618700000000 ] - [ -0.0002826700000000, -0.0005745500000000, -0.0003266500000000 ] - [ -0.0003414500000000, 0.0005715700000000, -0.0004149000000000 ] - [ -0.0005769600000000, 0.0005972300000000, -0.0003225700000000 ] - [ 0.0001159700000000, 0.0001453600000000, -0.0004014400000000 ] - [ 0.0000567400000000, 0.0002666200000000, -0.0002280400000000 ] - [ 0.0001529200000000, -0.0003073700000000, -0.0005607600000000 ] - [ 0.0001724400000000, -0.0002212700000000, -0.0006917100000000 ] - [ -0.0001683300000000, -0.0002157200000000, 0.0009322400000000 ] - [ 0.0002410800000000, 0.0001391900000000, 0.0007710800000000 ] - [ 0.0001906000000000, -0.0001897600000000, 0.0006207600000000 ] - [ -0.0000306600000000, -0.0002012100000000, 0.0007547200000000 ] - [ 0.0014847200000000, -0.0037135200000000, -0.0038197900000000 ] - [ -0.0004321300000000, 0.0005385000000000, 0.0003599400000000 ] - [ -0.0012555300000000, 0.0002835600000000, -0.0034058000000000 ] - [ -0.0002954700000000, -0.0005836600000000, 0.0003729100000000 ] - [ 0.0009539900000000, -0.0012801000000000, 0.0033916300000000 ] - [ 0.0002725700000000, -0.0001147500000000, 0.0001330100000000 ] - [ 0.0001437700000000, 0.0004173200000000, -0.0007398500000000 ] - [ 0.0002137200000000, 0.0001246800000000, -0.0001182400000000 ] - [ 0.0004337400000000, -0.0008283600000000, 0.0001989700000000 ] - [ -0.0001946200000000, -0.0003661900000000, 0.0008994000000000 ] - [ -0.0002342100000000, 0.0002226800000000, -0.0002963300000000 ] - [ -0.0004039000000000, 0.0000607000000000, -0.0004984100000000 ] - [ -0.0005748800000000, 0.0003339100000000, -0.0003830000000000 ] - [ 0.0004573700000000, 0.0005195100000000, -0.0005953800000000 ] - [ 0.0004751200000000, -0.0005266300000000, -0.0003591600000000 ] - [ -0.0000406300000000, -0.0003934400000000, -0.0003896700000000 ] - [ 0.0006591200000000, -0.0004703900000000, -0.0002673300000000 ] - [ 0.0002795700000000, -0.0002266200000000, 0.0004343000000000 ] - [ 0.0000371400000000, 0.0001574600000000, 0.0010345700000000 ] - [ 0.0002402000000000, 0.0001883900000000, 0.0007104000000000 ] - [ -0.0019417200000000, -0.0043180100000000, -0.0082095800000000 ] - [ 0.0000025000000000, -0.0001284700000000, 0.0002474700000000 ] - [ 0.0000063400000000, 0.0003222700000000, 0.0006386500000000 ] - [ 0.0001507700000000, 0.0001435400000000, 0.0003467000000000 ] - [ -0.0000306200000000, 0.0012910800000000, -0.0006727900000000 ] - [ -0.0002051600000000, 0.0006176300000000, -0.0004841300000000 ] - [ -0.0001577900000000, -0.0012080700000000, 0.0003838900000000 ] - [ -0.0000595200000000, -0.0006713900000000, -0.0003699400000000 ] - [ -0.0070354700000000, 0.0058761100000000, -0.0161400300000000 ] - [ -0.0007459600000000, -0.0003382400000000, 0.0003141600000000 ] - [ -0.0001479500000000, 0.0007008500000000, -0.0001654300000000 ] - [ -0.0003858600000000, -0.0004273100000000, -0.0001462300000000 ] - [ -0.0008913000000000, -0.0001985700000000, 0.0010825500000000 ] - [ -0.0006812500000000, 0.0003422500000000, 0.0003684700000000 ] - [ -0.0005965700000000, 0.0007544400000000, 0.0007857800000000 ] - [ -0.0003929400000000, 0.0004574300000000, -0.0000563900000000 ] - [ 0.0028711900000000, 0.0011533600000000, -0.0020079800000000 ] - [ -0.0002873800000000, -0.0000905500000000, 0.0007892400000000 ] - [ -0.0000651200000000, 0.0005316300000000, 0.0019693100000000 ] - [ -0.0002495100000000, 0.0000878500000000, 0.0008880700000000 ] - [ 0.0002651700000000, -0.0000825600000000, -0.0008832500000000 ] - [ 0.0006231300000000, -0.0002865600000000, -0.0009955200000000 ] - [ 0.0004581500000000, 0.0000660900000000, -0.0006305600000000 ] - [ 0.0001860000000000, 0.0000672400000000, -0.0006247900000000 ] - [ 0.0006374300000000, -0.0005526100000000, -0.0000106100000000 ] - [ -0.0000755600000000, -0.0002049100000000, 0.0000564700000000 ] - [ 0.0009226200000000, 0.0000628700000000, -0.0005869900000000 ] - [ 0.0004492600000000, -0.0005857800000000, -0.0003513600000000 ] - [ 0.0003665200000000, 0.0004250100000000, 0.0001447800000000 ] - [ 0.0005618200000000, 0.0004975700000000, 0.0002509700000000 ] - [ 0.0006600300000000, 0.0003136500000000, -0.0002364600000000 ] - [ 0.0011659300000000, 0.0000289500000000, 0.0000161200000000 ] - [ -0.0005902100000000, 0.0007638000000000, 0.0005658000000000 ] - [ 0.0005637100000000, 0.0008204700000000, 0.0001032000000000 ] - [ 0.0003758600000000, -0.0005847700000000, 0.0004233100000000 ] - [ 0.0000394400000000, -0.0004884200000000, 0.0007355100000000 ] - [ -0.0004463700000000, -0.0000178300000000, -0.0006440800000000 ] - [ -0.0000032200000000, -0.0002384300000000, -0.0004695200000000 ] - [ 0.0001655300000000, -0.0000120500000000, -0.0000655000000000 ] - [ -0.0001082500000000, -0.0000145900000000, -0.0000341100000000 ] - [ -0.0005335800000000, 0.0010568300000000, -0.0023115500000000 ] - [ -0.0001688000000000, -0.0001971400000000, -0.0007777500000000 ] - [ -0.0004406800000000, 0.0002338800000000, -0.0001008600000000 ] - [ -0.0002101800000000, 0.0002310000000000, -0.0004688000000000 ]- atom: 9 displacement: [ 0.0099872533903921, 0.0000000000000000, -0.0005047471803797 ] forces: - [ -0.0007017000000000, 0.0000864700000000, -0.0009780000000000 ] - [ 0.0000579700000000, 0.0001908600000000, -0.0007746100000000 ] - [ -0.0001630300000000, -0.0001993500000000, -0.0007255200000000 ] - [ -0.0000231900000000, -0.0002060400000000, -0.0007568200000000 ] - [ -0.0005227800000000, 0.0002178800000000, 0.0001192200000000 ] - [ 0.0000203500000000, 0.0002432100000000, 0.0005045200000000 ] - [ -0.0001584900000000, -0.0002375600000000, 0.0006663400000000 ] - [ -0.0000243500000000, -0.0002686400000000, 0.0004769800000000 ] - [ -0.0275778700000000, 0.0047075700000000, 0.0010926000000000 ] - [ 0.0006699200000000, -0.0006093300000000, 0.0003078400000000 ] - [ 0.0004833500000000, 0.0006277300000000, 0.0003830200000000 ] - [ 0.0005460400000000, 0.0006259100000000, 0.0003268000000000 ] - [ -0.0007428200000000, -0.0008183500000000, -0.0013868400000000 ] - [ -0.0001319000000000, -0.0004915900000000, -0.0001199600000000 ] - [ -0.0004711300000000, 0.0003877200000000, -0.0000134300000000 ] - [ -0.0001744200000000, 0.0005155100000000, -0.0001813900000000 ] - [ 0.0002295800000000, 0.0005186200000000, 0.0011794400000000 ] - [ 0.0003088300000000, 0.0000142900000000, 0.0007890900000000 ] - [ 0.0000273500000000, -0.0000459300000000, 0.0008400800000000 ] - [ 0.0002243600000000, -0.0000629400000000, 0.0008652100000000 ] - [ -0.0004838800000000, -0.0002861500000000, 0.0004852600000000 ] - [ -0.0003078600000000, -0.0001988000000000, 0.0005232100000000 ] - [ 0.0008713200000000, -0.0006558000000000, 0.0027866400000000 ] - [ -0.0001948700000000, 0.0002221600000000, 0.0004601300000000 ] - [ 0.0010731800000000, -0.0006204900000000, -0.0007367800000000 ] - [ 0.0013344700000000, -0.0000636800000000, -0.0003888700000000 ] - [ 0.0003817900000000, 0.0001958700000000, -0.0004751300000000 ] - [ 0.0003646800000000, 0.0002474800000000, -0.0005147300000000 ] - [ -0.0000586000000000, 0.0000811700000000, -0.0007202000000000 ] - [ -0.0000775200000000, 0.0000475300000000, -0.0008498900000000 ] - [ 0.0001694000000000, 0.0000358400000000, -0.0008856800000000 ] - [ 0.0001278400000000, -0.0002368500000000, -0.0007711200000000 ] - [ 0.0002288000000000, -0.0003123100000000, 0.0004187600000000 ] - [ 0.0004490900000000, -0.0004031700000000, -0.0000239900000000 ] - [ 0.0001670000000000, 0.0004992200000000, 0.0000573400000000 ] - [ 0.0003208800000000, 0.0005364600000000, 0.0003377200000000 ] - [ -0.0005023700000000, -0.0004641200000000, -0.0001259800000000 ] - [ -0.0004285500000000, -0.0006164400000000, -0.0003290100000000 ] - [ -0.0007899900000000, 0.0005993000000000, -0.0014676900000000 ] - [ -0.0002784600000000, 0.0005403900000000, -0.0002878500000000 ] - [ 0.0020372000000000, -0.0008556100000000, 0.0010152400000000 ] - [ 0.0003438000000000, 0.0002171300000000, -0.0006482900000000 ] - [ -0.0000322400000000, -0.0002133900000000, -0.0006222600000000 ] - [ 0.0001720300000000, -0.0002652900000000, -0.0003651600000000 ] - [ 0.0000113600000000, 0.0000937000000000, 0.0010493000000000 ] - [ 0.0001592400000000, 0.0001926500000000, 0.0007587600000000 ] - [ -0.0002048800000000, -0.0002135500000000, 0.0005323700000000 ] - [ 0.0002399100000000, -0.0001385900000000, 0.0007997800000000 ] - [ -0.0036750700000000, -0.0028573200000000, 0.0019690700000000 ] - [ 0.0000918700000000, 0.0006919600000000, 0.0003702200000000 ] - [ -0.0006746400000000, -0.0006042800000000, 0.0003405700000000 ] - [ -0.0001981900000000, -0.0005815100000000, 0.0005124900000000 ] - [ -0.0015047400000000, 0.0015006200000000, -0.0009898500000000 ] - [ 0.0005000300000000, -0.0001330300000000, -0.0000333000000000 ] - [ 0.0008976200000000, 0.0006264400000000, 0.0008685600000000 ] - [ 0.0004902500000000, 0.0001217900000000, -0.0000232800000000 ] - [ -0.0010995000000000, 0.0026918400000000, 0.0027760200000000 ] - [ 0.0002725700000000, -0.0003111900000000, -0.0003081700000000 ] - [ -0.0003450200000000, 0.0001171600000000, 0.0000084600000000 ] - [ -0.0000370000000000, 0.0000890900000000, 0.0001803400000000 ] - [ -0.0000004700000000, 0.0004270400000000, -0.0001854300000000 ] - [ 0.0004555800000000, 0.0006354900000000, -0.0003745300000000 ] - [ 0.0009759100000000, -0.0010343300000000, -0.0011126400000000 ] - [ 0.0008337400000000, -0.0004220500000000, 0.0001275400000000 ] - [ 0.0052271000000000, -0.0037281900000000, 0.0023641500000000 ] - [ -0.0001190100000000, -0.0002179700000000, 0.0007388500000000 ] - [ 0.0006372100000000, -0.0001126300000000, 0.0002362900000000 ] - [ -0.0000046500000000, 0.0002001400000000, 0.0005541900000000 ] - [ 0.0006645600000000, 0.0000180700000000, -0.0000122100000000 ] - [ -0.0000410800000000, -0.0001226900000000, 0.0002630700000000 ] - [ 0.0007697900000000, 0.0000974000000000, -0.0011337600000000 ] - [ -0.0001427300000000, 0.0001490000000000, 0.0002789800000000 ] - [ 0.0001384300000000, 0.0004237600000000, -0.0002898200000000 ] - [ -0.0002711000000000, 0.0006178100000000, -0.0004598600000000 ] - [ 0.0002509200000000, -0.0006747700000000, -0.0006785100000000 ] - [ -0.0003811900000000, -0.0006430000000000, -0.0004478000000000 ] - [ -0.0003663200000000, 0.0007795100000000, 0.0004532600000000 ] - [ -0.0009343100000000, -0.0003295100000000, 0.0003468900000000 ] - [ 0.0115381300000000, -0.0045775900000000, -0.0034219800000000 ] - [ -0.0009406200000000, -0.0005374300000000, -0.0000391000000000 ] - [ -0.0006315300000000, 0.0003515500000000, 0.0002743300000000 ] - [ -0.0007665400000000, 0.0003721300000000, 0.0002960600000000 ] - [ -0.0002743300000000, 0.0005079800000000, -0.0001894000000000 ] - [ -0.0004703900000000, 0.0004399300000000, -0.0001181800000000 ] - [ 0.0000011200000000, 0.0000101000000000, 0.0010681200000000 ] - [ -0.0005684500000000, -0.0000982100000000, 0.0005706000000000 ] - [ -0.0001004800000000, 0.0004650900000000, 0.0000964300000000 ] - [ -0.0005628100000000, 0.0000984000000000, 0.0008475700000000 ] - [ 0.0000482300000000, 0.0001676900000000, -0.0007218300000000 ] - [ -0.0007977100000000, -0.0003789200000000, -0.0007758100000000 ] - [ 0.0003019600000000, 0.0001308500000000, -0.0009295000000000 ] - [ 0.0002720300000000, 0.0000745500000000, -0.0008384700000000 ] - [ 0.0005229400000000, -0.0006393300000000, -0.0000006600000000 ] - [ 0.0004087000000000, -0.0004440300000000, 0.0001679400000000 ] - [ 0.0006711400000000, -0.0000699600000000, -0.0007694800000000 ] - [ 0.0006532700000000, -0.0004173100000000, -0.0002317400000000 ] - [ 0.0002435600000000, 0.0005015000000000, 0.0005080200000000 ] - [ 0.0000217200000000, 0.0004060000000000, -0.0002711200000000 ] - [ 0.0004030000000000, 0.0006183900000000, -0.0000355600000000 ] - [ 0.0006527700000000, 0.0001993100000000, -0.0005147900000000 ] - [ 0.0008775800000000, -0.0003501400000000, 0.0009872800000000 ] - [ -0.0001149000000000, 0.0006058800000000, 0.0004324000000000 ] - [ 0.0002265100000000, -0.0006505200000000, 0.0003696900000000 ] - [ 0.0000055100000000, -0.0006352800000000, 0.0003335600000000 ] - [ 0.0092946200000000, 0.0029601000000000, -0.0025002800000000 ] - [ -0.0005210500000000, -0.0000360500000000, -0.0002221700000000 ] - [ 0.0000201300000000, 0.0001076400000000, -0.0002832700000000 ] - [ -0.0002029000000000, 0.0001461100000000, -0.0003891700000000 ] - [ 0.0013808800000000, -0.0001901600000000, -0.0010983100000000 ] - [ -0.0006818700000000, -0.0002069400000000, -0.0004348500000000 ] - [ 0.0001921800000000, 0.0002739100000000, -0.0005223800000000 ] - [ -0.0004818100000000, 0.0002194100000000, -0.0006101700000000 ]- atom: 9 displacement: [ -0.0099872533903921, 0.0000000000000000, 0.0005047471803797 ] forces: - [ 0.0005005300000000, 0.0002568200000000, -0.0005713000000000 ] - [ -0.0002593300000000, 0.0001575900000000, -0.0007732000000000 ] - [ -0.0000376600000000, -0.0001474300000000, -0.0008227300000000 ] - [ -0.0001781500000000, -0.0001410400000000, -0.0007906000000000 ] - [ 0.0002704200000000, 0.0002888200000000, 0.0008258300000000 ] - [ -0.0002732300000000, 0.0002640000000000, 0.0004409000000000 ] - [ -0.0000948800000000, -0.0002660500000000, 0.0002800300000000 ] - [ -0.0002279100000000, -0.0002384700000000, 0.0004694100000000 ] - [ 0.0285839700000000, -0.0052476600000000, -0.0002543100000000 ] - [ 0.0002766000000000, -0.0005818300000000, 0.0003226900000000 ] - [ 0.0004640500000000, 0.0005626600000000, 0.0002472600000000 ] - [ 0.0004003200000000, 0.0005659200000000, 0.0003039200000000 ] - [ 0.0001592800000000, -0.0001998800000000, 0.0010418800000000 ] - [ -0.0004512400000000, -0.0005275700000000, -0.0002248000000000 ] - [ -0.0001123000000000, 0.0006286600000000, -0.0003311200000000 ] - [ -0.0004088100000000, 0.0005020900000000, -0.0001628900000000 ] - [ -0.0000729200000000, -0.0004098700000000, 0.0004826300000000 ] - [ -0.0001518700000000, 0.0000902900000000, 0.0008707600000000 ] - [ 0.0001301200000000, -0.0000607000000000, 0.0008197200000000 ] - [ -0.0000658800000000, -0.0000431500000000, 0.0007947700000000 ] - [ -0.0002760800000000, -0.0001901700000000, 0.0005188900000000 ] - [ -0.0004513800000000, -0.0002774600000000, 0.0004812800000000 ] - [ -0.0016178700000000, 0.0011145200000000, -0.0017577600000000 ] - [ -0.0005648300000000, 0.0002541600000000, 0.0005437100000000 ] - [ -0.0003184900000000, 0.0001413900000000, -0.0002671700000000 ] - [ -0.0005709900000000, -0.0004207500000000, -0.0006176700000000 ] - [ 0.0003773300000000, 0.0002802300000000, -0.0005288700000000 ] - [ 0.0003939000000000, 0.0002291800000000, -0.0004899200000000 ] - [ -0.0000992300000000, 0.0000208500000000, -0.0009402300000000 ] - [ -0.0000812300000000, 0.0000537100000000, -0.0008106300000000 ] - [ -0.0003277300000000, -0.0001377800000000, -0.0007752300000000 ] - [ -0.0002869600000000, 0.0001340800000000, -0.0008903000000000 ] - [ 0.0003577600000000, -0.0007062900000000, -0.0000776100000000 ] - [ 0.0001341600000000, -0.0006123600000000, 0.0003667900000000 ] - [ 0.0004155500000000, 0.0005198000000000, 0.0002873100000000 ] - [ 0.0002605700000000, 0.0004824800000000, 0.0000074700000000 ] - [ -0.0004452200000000, -0.0007281100000000, -0.0005040000000000 ] - [ -0.0005189400000000, -0.0005745300000000, -0.0003014700000000 ] - [ -0.0001556500000000, 0.0005900500000000, 0.0008411900000000 ] - [ -0.0006685700000000, 0.0006498000000000, -0.0003438500000000 ] - [ -0.0018147600000000, 0.0013726500000000, -0.0019894700000000 ] - [ -0.0000911700000000, 0.0002875800000000, -0.0002988600000000 ] - [ 0.0002851100000000, -0.0002940400000000, -0.0003217900000000 ] - [ 0.0000792300000000, -0.0002412600000000, -0.0005799700000000 ] - [ 0.0001898800000000, 0.0002543600000000, 0.0004991600000000 ] - [ 0.0000410400000000, 0.0001543100000000, 0.0007887700000000 ] - [ 0.0004073000000000, -0.0001345500000000, 0.0010156400000000 ] - [ -0.0000391700000000, -0.0002093000000000, 0.0007472300000000 ] - [ 0.0030415900000000, 0.0040372000000000, -0.0012419000000000 ] - [ -0.0007192500000000, 0.0004803400000000, 0.0003542600000000 ] - [ 0.0000495200000000, -0.0005663600000000, 0.0003847600000000 ] - [ -0.0004287300000000, -0.0005900800000000, 0.0002124500000000 ] - [ 0.0020000800000000, -0.0017304500000000, 0.0009837800000000 ] - [ 0.0000152300000000, -0.0000925800000000, 0.0000262200000000 ] - [ -0.0003841900000000, -0.0004157400000000, -0.0008779800000000 ] - [ 0.0000260200000000, 0.0001033900000000, 0.0000183300000000 ] - [ 0.0005677800000000, -0.0029238100000000, -0.0027779400000000 ] - [ -0.0007936100000000, 0.0000874700000000, 0.0003135900000000 ] - [ -0.0001703100000000, 0.0001085500000000, -0.0000020700000000 ] - [ -0.0004794300000000, 0.0001363500000000, -0.0001740500000000 ] - [ 0.0006305700000000, 0.0007461400000000, -0.0005351500000000 ] - [ 0.0001705300000000, 0.0005357400000000, -0.0003512400000000 ] - [ -0.0003551500000000, -0.0001344600000000, 0.0003933800000000 ] - [ -0.0002048800000000, -0.0007492300000000, -0.0008469700000000 ] - [ -0.0047298500000000, 0.0033055900000000, -0.0012043500000000 ] - [ 0.0005995800000000, -0.0002036700000000, 0.0004274700000000 ] - [ -0.0001590700000000, 0.0005359400000000, 0.0009303000000000 ] - [ 0.0004860500000000, 0.0002214400000000, 0.0006104800000000 ] - [ -0.0004999300000000, -0.0002540600000000, 0.0006007600000000 ] - [ 0.0002033200000000, -0.0001147600000000, 0.0003263200000000 ] - [ -0.0005937300000000, 0.0001467000000000, 0.0016498100000000 ] - [ 0.0003042700000000, 0.0000880200000000, 0.0003099900000000 ] - [ -0.0004070800000000, 0.0008139500000000, -0.0005794400000000 ] - [ -0.0000003400000000, 0.0006197700000000, -0.0004081200000000 ] - [ -0.0005248700000000, -0.0005577100000000, -0.0001916600000000 ] - [ 0.0001095700000000, -0.0005943000000000, -0.0004207800000000 ] - [ -0.0010529800000000, -0.0014540600000000, 0.0002309200000000 ] - [ -0.0004847700000000, -0.0003442700000000, 0.0003380100000000 ] - [ -0.0119953700000000, 0.0033106800000000, 0.0031239700000000 ] - [ 0.0001011100000000, -0.0003965200000000, -0.0001444200000000 ] - [ -0.0007878900000000, 0.0003193500000000, 0.0004120400000000 ] - [ -0.0006535200000000, 0.0003007700000000, 0.0003885000000000 ] - [ -0.0005643600000000, 0.0004263500000000, 0.0000051400000000 ] - [ -0.0003688300000000, 0.0004942100000000, -0.0000662800000000 ] - [ -0.0005593400000000, -0.0001841200000000, 0.0005566300000000 ] - [ 0.0000105600000000, -0.0000755600000000, 0.0010547200000000 ] - [ -0.0004583700000000, -0.0002905700000000, 0.0015272300000000 ] - [ 0.0000049800000000, 0.0000750800000000, 0.0007776000000000 ] - [ 0.0005096700000000, -0.0003421600000000, -0.0009036000000000 ] - [ 0.0013436100000000, 0.0002015200000000, -0.0008491800000000 ] - [ 0.0002543900000000, 0.0000428600000000, -0.0006965000000000 ] - [ 0.0002869300000000, 0.0000994300000000, -0.0007861700000000 ] - [ 0.0003130100000000, -0.0002937300000000, 0.0001829500000000 ] - [ 0.0004297700000000, -0.0004903800000000, 0.0000167200000000 ] - [ 0.0007471600000000, -0.0006049100000000, 0.0000862200000000 ] - [ 0.0007663600000000, -0.0002554700000000, -0.0004527100000000 ] - [ 0.0005953500000000, 0.0004344200000000, -0.0003252200000000 ] - [ 0.0008154600000000, 0.0005298400000000, 0.0004525200000000 ] - [ 0.0010190200000000, 0.0000516900000000, -0.0006510700000000 ] - [ 0.0007674300000000, 0.0004716100000000, -0.0001708900000000 ] - [ -0.0006068200000000, 0.0015952400000000, -0.0001181600000000 ] - [ 0.0003867300000000, 0.0006292600000000, 0.0004370900000000 ] - [ 0.0000437300000000, -0.0005871100000000, 0.0004981100000000 ] - [ 0.0002657100000000, -0.0006018800000000, 0.0005340800000000 ] - [ -0.0098294900000000, -0.0034900300000000, 0.0019080000000000 ] - [ 0.0003606400000000, -0.0001992800000000, -0.0003661600000000 ] - [ -0.0001832800000000, 0.0001292900000000, -0.0003064000000000 ] - [ 0.0000403400000000, 0.0000907300000000, -0.0002004600000000 ] - [ -0.0018611600000000, -0.0002314700000000, -0.0000645700000000 ] - [ 0.0002017300000000, -0.0002150100000000, -0.0007310100000000 ] - [ -0.0006757700000000, 0.0001468700000000, -0.0006438600000000 ] - [ -0.0000001200000000, 0.0002021900000000, -0.0005554600000000 ]- atom: 9 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0000996900000000, 0.0016854100000000, -0.0004276300000000 ] - [ -0.0001196800000000, 0.0002270800000000, -0.0007927700000000 ] - [ -0.0001507300000000, -0.0001741200000000, -0.0009317500000000 ] - [ -0.0001213900000000, -0.0001881700000000, -0.0007752800000000 ] - [ -0.0001409000000000, 0.0006867800000000, 0.0007479700000000 ] - [ -0.0001410000000000, 0.0003057800000000, 0.0004986200000000 ] - [ 0.0000678200000000, -0.0005802700000000, 0.0003606800000000 ] - [ -0.0001411300000000, -0.0002801100000000, 0.0004628400000000 ] - [ 0.0058953800000000, -0.0262735200000000, 0.0079802700000000 ] - [ 0.0004578300000000, -0.0007126800000000, 0.0002725500000000 ] - [ 0.0004278000000000, 0.0005418700000000, 0.0000541200000000 ] - [ 0.0004435700000000, 0.0006088200000000, 0.0003140800000000 ] - [ -0.0004419900000000, -0.0005441000000000, 0.0009077600000000 ] - [ -0.0003067400000000, -0.0005501300000000, -0.0000995600000000 ] - [ -0.0001287400000000, 0.0007622600000000, -0.0002499900000000 ] - [ -0.0003259900000000, 0.0005535500000000, -0.0001793900000000 ] - [ 0.0006494300000000, 0.0007835900000000, 0.0009487700000000 ] - [ 0.0000007800000000, 0.0001132400000000, 0.0007692600000000 ] - [ 0.0002611100000000, -0.0000529400000000, 0.0007072200000000 ] - [ 0.0000044600000000, -0.0000798300000000, 0.0008321500000000 ] - [ -0.0001341400000000, -0.0000855500000000, 0.0004735000000000 ] - [ -0.0004822300000000, -0.0001576700000000, 0.0005059800000000 ] - [ -0.0007312000000000, -0.0002756200000000, -0.0005475500000000 ] - [ -0.0003916500000000, 0.0001983300000000, 0.0003878300000000 ] - [ 0.0007919000000000, -0.0008385100000000, -0.0008300000000000 ] - [ -0.0001165200000000, -0.0009000500000000, -0.0007290700000000 ] - [ 0.0003675600000000, 0.0002879100000000, -0.0005666500000000 ] - [ 0.0004167900000000, 0.0002429800000000, -0.0005262100000000 ] - [ -0.0000871600000000, -0.0000446000000000, -0.0008189000000000 ] - [ -0.0000302300000000, 0.0000044400000000, -0.0008133400000000 ] - [ 0.0000242900000000, 0.0001120100000000, -0.0010105600000000 ] - [ -0.0002058800000000, 0.0001521200000000, -0.0009111900000000 ] - [ -0.0004098600000000, 0.0000957900000000, 0.0004991200000000 ] - [ 0.0003170900000000, -0.0003720400000000, 0.0002008900000000 ] - [ 0.0003109600000000, 0.0004961300000000, 0.0001399100000000 ] - [ 0.0003008000000000, 0.0004975100000000, 0.0001456400000000 ] - [ -0.0006017100000000, -0.0001443700000000, -0.0002308600000000 ] - [ -0.0004523700000000, -0.0005303500000000, -0.0003093700000000 ] - [ -0.0005159500000000, 0.0003747300000000, -0.0012438900000000 ] - [ -0.0005317500000000, 0.0005577100000000, -0.0003792600000000 ] - [ -0.0008837700000000, -0.0011050400000000, -0.0003489400000000 ] - [ 0.0001282800000000, 0.0000823800000000, -0.0004520100000000 ] - [ 0.0001699200000000, -0.0002745600000000, -0.0004450100000000 ] - [ 0.0001243400000000, -0.0002426600000000, -0.0004749700000000 ] - [ 0.0000335300000000, -0.0001694100000000, 0.0010121900000000 ] - [ 0.0001155000000000, 0.0001260400000000, 0.0007859100000000 ] - [ 0.0000516800000000, 0.0000345200000000, 0.0005402800000000 ] - [ 0.0000794900000000, -0.0001291000000000, 0.0007318700000000 ] - [ -0.0019193700000000, 0.0055868300000000, -0.0008768400000000 ] - [ -0.0003689400000000, 0.0007511900000000, 0.0002201900000000 ] - [ -0.0002905300000000, -0.0006159900000000, 0.0004727200000000 ] - [ -0.0003928800000000, -0.0005630700000000, 0.0004326100000000 ] - [ 0.0034816700000000, -0.0000428200000000, -0.0036199800000000 ] - [ 0.0001572600000000, -0.0001328000000000, -0.0000021500000000 ] - [ 0.0004197100000000, -0.0004101900000000, 0.0010565800000000 ] - [ 0.0001857900000000, 0.0000773900000000, -0.0000321000000000 ] - [ -0.0002365500000000, 0.0021379400000000, 0.0010214600000000 ] - [ -0.0006348500000000, 0.0000991100000000, 0.0001739900000000 ] - [ -0.0001196500000000, 0.0001927200000000, -0.0000555500000000 ] - [ -0.0003512200000000, 0.0001279500000000, -0.0001104400000000 ] - [ -0.0005742800000000, 0.0003649500000000, -0.0013632000000000 ] - [ 0.0003620300000000, 0.0005120300000000, -0.0004300800000000 ] - [ -0.0010659500000000, -0.0007374700000000, 0.0000191300000000 ] - [ 0.0002698300000000, -0.0006739600000000, -0.0001071000000000 ] - [ -0.0047234700000000, 0.0101620000000000, -0.0042723700000000 ] - [ 0.0002378100000000, -0.0001869900000000, 0.0005771900000000 ] - [ 0.0000406800000000, 0.0003438700000000, 0.0008367500000000 ] - [ 0.0002780800000000, 0.0002243500000000, 0.0005692300000000 ] - [ 0.0000141000000000, -0.0011509600000000, 0.0011775100000000 ] - [ 0.0001346700000000, -0.0001719200000000, 0.0003005900000000 ] - [ 0.0003379500000000, 0.0025019500000000, -0.0010793500000000 ] - [ 0.0001208200000000, 0.0002253100000000, 0.0003758500000000 ] - [ -0.0000430900000000, 0.0016117800000000, 0.0000335600000000 ] - [ -0.0000852100000000, 0.0006821200000000, -0.0004414600000000 ] - [ -0.0001890300000000, -0.0011922900000000, -0.0012588200000000 ] - [ -0.0000771900000000, -0.0006908300000000, -0.0003808300000000 ] - [ -0.0003113500000000, -0.0014713200000000, -0.0000566300000000 ] - [ -0.0007178800000000, -0.0004383300000000, 0.0003639400000000 ] - [ -0.0060095000000000, 0.0045551600000000, 0.0018441600000000 ] - [ -0.0007391400000000, -0.0004566400000000, -0.0000053000000000 ] - [ -0.0007910100000000, 0.0005539300000000, 0.0003724700000000 ] - [ -0.0006444200000000, 0.0003992400000000, 0.0003508100000000 ] - [ -0.0005329700000000, 0.0003135000000000, 0.0000292200000000 ] - [ -0.0003313700000000, 0.0003822900000000, -0.0000848400000000 ] - [ -0.0003129700000000, -0.0001888600000000, 0.0004512200000000 ] - [ -0.0002559800000000, -0.0000985600000000, 0.0006829200000000 ] - [ 0.0000089600000000, -0.0000446800000000, 0.0015315900000000 ] - [ -0.0002188800000000, 0.0000611600000000, 0.0009614000000000 ] - [ 0.0005438000000000, 0.0001884100000000, -0.0008675000000000 ] - [ -0.0002713100000000, -0.0000275900000000, -0.0008335800000000 ] - [ 0.0005671400000000, 0.0001121600000000, -0.0006067100000000 ] - [ 0.0002596200000000, 0.0000873200000000, -0.0007322700000000 ] - [ 0.0008154400000000, -0.0007849100000000, 0.0003783000000000 ] - [ 0.0002469600000000, -0.0005268700000000, 0.0001437600000000 ] - [ 0.0009727900000000, 0.0001150500000000, -0.0003486300000000 ] - [ 0.0006165900000000, -0.0002187300000000, -0.0003643600000000 ] - [ 0.0007025400000000, 0.0010306400000000, 0.0002400600000000 ] - [ 0.0005682100000000, 0.0007657100000000, 0.0001930400000000 ] - [ 0.0010286300000000, -0.0000206800000000, -0.0003803400000000 ] - [ 0.0007181200000000, 0.0002135700000000, -0.0003412800000000 ] - [ 0.0002731900000000, -0.0003492800000000, 0.0006824200000000 ] - [ 0.0002356700000000, 0.0004887300000000, 0.0004856500000000 ] - [ 0.0001572700000000, -0.0004858400000000, 0.0004465300000000 ] - [ 0.0001575000000000, -0.0005293200000000, 0.0005030600000000 ] - [ 0.0049281200000000, 0.0030981700000000, -0.0008013400000000 ] - [ 0.0001918300000000, -0.0000359200000000, -0.0003085100000000 ] - [ -0.0000440500000000, -0.0000681100000000, -0.0001973700000000 ] - [ -0.0000487700000000, 0.0000094200000000, -0.0002200400000000 ] - [ 0.0000933000000000, -0.0006809200000000, -0.0013373800000000 ] - [ -0.0000658800000000, -0.0002281600000000, -0.0006819600000000 ] - [ -0.0003099800000000, 0.0002206000000000, -0.0003504800000000 ] - [ -0.0001964000000000, 0.0002018700000000, -0.0005644100000000 ]- atom: 9 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0001064200000000, -0.0013273200000000, -0.0011260500000000 ] - [ -0.0000805800000000, 0.0001211100000000, -0.0007556100000000 ] - [ -0.0000500100000000, -0.0001729400000000, -0.0006171400000000 ] - [ -0.0000793900000000, -0.0001588100000000, -0.0007726500000000 ] - [ -0.0001120700000000, -0.0001782700000000, 0.0001979500000000 ] - [ -0.0001110400000000, 0.0002018500000000, 0.0004484700000000 ] - [ -0.0003202200000000, 0.0000771400000000, 0.0005863900000000 ] - [ -0.0001108500000000, -0.0002268000000000, 0.0004846500000000 ] - [ -0.0048255700000000, 0.0249081900000000, -0.0069288900000000 ] - [ 0.0004887700000000, -0.0004780600000000, 0.0003577400000000 ] - [ 0.0005208400000000, 0.0006478500000000, 0.0005760400000000 ] - [ 0.0005047900000000, 0.0005818500000000, 0.0003163200000000 ] - [ -0.0001402700000000, -0.0004752900000000, -0.0012520900000000 ] - [ -0.0002765900000000, -0.0004689800000000, -0.0002454500000000 ] - [ -0.0004540500000000, 0.0002569400000000, -0.0000933300000000 ] - [ -0.0002564100000000, 0.0004636700000000, -0.0001641100000000 ] - [ -0.0004858400000000, -0.0006747300000000, 0.0007149800000000 ] - [ 0.0001572200000000, -0.0000081400000000, 0.0008908400000000 ] - [ -0.0001012200000000, -0.0000591500000000, 0.0009529800000000 ] - [ 0.0001553600000000, -0.0000315300000000, 0.0008283700000000 ] - [ -0.0006259500000000, -0.0003887300000000, 0.0005308800000000 ] - [ -0.0002766800000000, -0.0003184000000000, 0.0004988100000000 ] - [ -0.0000319100000000, 0.0007613700000000, 0.0015497800000000 ] - [ -0.0003679600000000, 0.0002780700000000, 0.0006161900000000 ] - [ -0.0000325700000000, 0.0003596600000000, -0.0001740500000000 ] - [ 0.0008749000000000, 0.0004214100000000, -0.0002755500000000 ] - [ 0.0003920000000000, 0.0001877300000000, -0.0004376800000000 ] - [ 0.0003424500000000, 0.0002341300000000, -0.0004783900000000 ] - [ -0.0000698900000000, 0.0001481100000000, -0.0008411400000000 ] - [ -0.0001266700000000, 0.0000995200000000, -0.0008469700000000 ] - [ -0.0001815600000000, -0.0002146100000000, -0.0006506900000000 ] - [ 0.0000489500000000, -0.0002550700000000, -0.0007493100000000 ] - [ 0.0009976100000000, -0.0011115500000000, -0.0001571400000000 ] - [ 0.0002669800000000, -0.0006447600000000, 0.0001433600000000 ] - [ 0.0002717900000000, 0.0005231100000000, 0.0002044900000000 ] - [ 0.0002812700000000, 0.0005213300000000, 0.0001985100000000 ] - [ -0.0003460000000000, -0.0010473400000000, -0.0003983600000000 ] - [ -0.0004951500000000, -0.0006602500000000, -0.0003208000000000 ] - [ -0.0004313300000000, 0.0008188700000000, 0.0006154800000000 ] - [ -0.0004155100000000, 0.0006326200000000, -0.0002514400000000 ] - [ 0.0011459000000000, 0.0016082500000000, -0.0005934100000000 ] - [ 0.0001241300000000, 0.0004238300000000, -0.0004952000000000 ] - [ 0.0000824600000000, -0.0002321100000000, -0.0005006700000000 ] - [ 0.0001275100000000, -0.0002641400000000, -0.0004728000000000 ] - [ 0.0001669100000000, 0.0005170300000000, 0.0005367100000000 ] - [ 0.0000850800000000, 0.0002213100000000, 0.0007612000000000 ] - [ 0.0001473600000000, -0.0003818000000000, 0.0010070700000000 ] - [ 0.0001214700000000, -0.0002190600000000, 0.0008157100000000 ] - [ 0.0013300700000000, -0.0044602600000000, 0.0016106200000000 ] - [ -0.0002555000000000, 0.0004206600000000, 0.0005046600000000 ] - [ -0.0003335400000000, -0.0005546700000000, 0.0002528400000000 ] - [ -0.0002318600000000, -0.0006084200000000, 0.0002931700000000 ] - [ -0.0029679600000000, -0.0001844800000000, 0.0036046800000000 ] - [ 0.0003572100000000, -0.0000925700000000, -0.0000041800000000 ] - [ 0.0000957800000000, 0.0006120500000000, -0.0010553900000000 ] - [ 0.0003290400000000, 0.0001481800000000, 0.0000268000000000 ] - [ -0.0002974700000000, -0.0023629800000000, -0.0010084500000000 ] - [ 0.0001175800000000, -0.0003233700000000, -0.0001685700000000 ] - [ -0.0003950300000000, 0.0000327700000000, 0.0000620300000000 ] - [ -0.0001627800000000, 0.0000980500000000, 0.0001168700000000 ] - [ 0.0011980600000000, 0.0008097500000000, 0.0006390500000000 ] - [ 0.0002626900000000, 0.0006594400000000, -0.0002951700000000 ] - [ 0.0016849200000000, -0.0004375500000000, -0.0007440400000000 ] - [ 0.0003554400000000, -0.0004981900000000, -0.0006158200000000 ] - [ 0.0050280900000000, -0.0102076000000000, 0.0051281200000000 ] - [ 0.0002455800000000, -0.0002345700000000, 0.0005864500000000 ] - [ 0.0004414900000000, 0.0000814400000000, 0.0003277300000000 ] - [ 0.0002057600000000, 0.0001976600000000, 0.0005939800000000 ] - [ 0.0001513300000000, 0.0009142000000000, -0.0005886700000000 ] - [ 0.0000273000000000, -0.0000657900000000, 0.0002908500000000 ] - [ -0.0001758900000000, -0.0022449500000000, 0.0016189700000000 ] - [ 0.0000414500000000, 0.0000119400000000, 0.0002158400000000 ] - [ -0.0002272700000000, -0.0003698900000000, -0.0008985200000000 ] - [ -0.0001863000000000, 0.0005559800000000, -0.0004246800000000 ] - [ -0.0000837100000000, -0.0000463200000000, 0.0003789400000000 ] - [ -0.0001940000000000, -0.0005466300000000, -0.0004854200000000 ] - [ -0.0011149800000000, 0.0007965300000000, 0.0007431800000000 ] - [ -0.0007028800000000, -0.0002339900000000, 0.0003215000000000 ] - [ 0.0053725600000000, -0.0055920500000000, -0.0020826300000000 ] - [ -0.0001014000000000, -0.0004787300000000, -0.0001795700000000 ] - [ -0.0006293200000000, 0.0001165200000000, 0.0003141100000000 ] - [ -0.0007763200000000, 0.0002727800000000, 0.0003332500000000 ] - [ -0.0003067000000000, 0.0006220900000000, -0.0002155200000000 ] - [ -0.0005086800000000, 0.0005535200000000, -0.0001008300000000 ] - [ -0.0002463100000000, 0.0000157600000000, 0.0011738700000000 ] - [ -0.0003046000000000, -0.0000737100000000, 0.0009414800000000 ] - [ -0.0005726200000000, 0.0002151100000000, 0.0000928700000000 ] - [ -0.0003410100000000, 0.0001121500000000, 0.0006651600000000 ] - [ 0.0000168500000000, -0.0003617800000000, -0.0007575600000000 ] - [ 0.0008256200000000, -0.0001438400000000, -0.0007922300000000 ] - [ -0.0000072800000000, 0.0000612000000000, -0.0010197100000000 ] - [ 0.0003005100000000, 0.0000863900000000, -0.0008937800000000 ] - [ 0.0000230500000000, -0.0001512300000000, -0.0001953800000000 ] - [ 0.0005927400000000, -0.0004089400000000, 0.0000419200000000 ] - [ 0.0004482800000000, -0.0007865400000000, -0.0003351700000000 ] - [ 0.0008041800000000, -0.0004527300000000, -0.0003203000000000 ] - [ 0.0001393500000000, -0.0000919500000000, -0.0000565400000000 ] - [ 0.0002728900000000, 0.0001710000000000, -0.0000086500000000 ] - [ 0.0003939700000000, 0.0006907700000000, -0.0003041900000000 ] - [ 0.0007020300000000, 0.0004578000000000, -0.0003432500000000 ] - [ 0.0000008900000000, 0.0015850700000000, 0.0001884400000000 ] - [ 0.0000350300000000, 0.0007481000000000, 0.0003813100000000 ] - [ 0.0001133600000000, -0.0007516700000000, 0.0004195400000000 ] - [ 0.0001130000000000, -0.0007082800000000, 0.0003626800000000 ] - [ -0.0052582100000000, -0.0034112600000000, 0.0001972800000000 ] - [ -0.0003538500000000, -0.0002001900000000, -0.0002825900000000 ] - [ -0.0001190100000000, 0.0003052900000000, -0.0003949400000000 ] - [ -0.0001146900000000, 0.0002276100000000, -0.0003720900000000 ] - [ -0.0005693900000000, 0.0002621100000000, 0.0001758300000000 ] - [ -0.0004178300000000, -0.0001935400000000, -0.0004815500000000 ] - [ -0.0001733800000000, 0.0001996200000000, -0.0008138000000000 ] - [ -0.0002883400000000, 0.0002200100000000, -0.0005988500000000 ]- atom: 9 displacement: [ -0.0007714822112317, 0.0000000000000000, 0.0099701963470011 ] forces: - [ -0.0003505700000000, -0.0001826700000000, -0.0019609100000000 ] - [ -0.0001189100000000, 0.0001951700000000, -0.0007927100000000 ] - [ -0.0000007000000000, -0.0002775900000000, -0.0000433700000000 ] - [ -0.0000909800000000, -0.0001701400000000, -0.0007646700000000 ] - [ -0.0003256500000000, 0.0001051500000000, 0.0004781800000000 ] - [ -0.0001330400000000, 0.0002652000000000, 0.0004687000000000 ] - [ 0.0002067700000000, -0.0013703300000000, 0.0008479000000000 ] - [ -0.0001413600000000, -0.0002627000000000, 0.0004899800000000 ] - [ 0.0020389000000000, 0.0063357100000000, -0.0245819400000000 ] - [ 0.0004491900000000, -0.0006367400000000, 0.0002879200000000 ] - [ 0.0005665500000000, 0.0008537100000000, 0.0008373000000000 ] - [ 0.0004806500000000, 0.0005944100000000, 0.0003243300000000 ] - [ -0.0010403400000000, 0.0002775200000000, 0.0005129400000000 ] - [ -0.0002873900000000, -0.0005120100000000, -0.0001729600000000 ] - [ -0.0000970400000000, 0.0008291700000000, -0.0000100000000000 ] - [ -0.0003331800000000, 0.0005314400000000, -0.0001504500000000 ] - [ 0.0003856700000000, 0.0003170400000000, 0.0003838800000000 ] - [ -0.0000146300000000, 0.0000364600000000, 0.0007245100000000 ] - [ -0.0001908600000000, -0.0000200900000000, 0.0011538800000000 ] - [ 0.0001675600000000, -0.0000738100000000, 0.0009060300000000 ] - [ -0.0005678300000000, -0.0003658600000000, 0.0006317500000000 ] - [ -0.0003007900000000, -0.0002787400000000, 0.0005216500000000 ] - [ 0.0015789900000000, -0.0011278400000000, 0.0003129400000000 ] - [ -0.0004605500000000, 0.0001795300000000, 0.0004275000000000 ] - [ 0.0005191900000000, -0.0004988600000000, -0.0005859100000000 ] - [ 0.0001313900000000, -0.0005843600000000, -0.0006239800000000 ] - [ 0.0003507500000000, 0.0002011500000000, -0.0003891700000000 ] - [ 0.0004086500000000, 0.0002711300000000, -0.0004440000000000 ] - [ -0.0000802600000000, 0.0001200400000000, -0.0007313800000000 ] - [ -0.0000110700000000, 0.0000444800000000, -0.0007406500000000 ] - [ 0.0000022800000000, 0.0001025700000000, -0.0010140500000000 ] - [ -0.0001530600000000, 0.0000892000000000, -0.0010040900000000 ] - [ 0.0011134800000000, -0.0007344600000000, 0.0000334400000000 ] - [ 0.0002300500000000, -0.0005060500000000, 0.0001873400000000 ] - [ -0.0000171600000000, 0.0004030300000000, 0.0003153500000000 ] - [ 0.0003640800000000, 0.0004949100000000, 0.0001938700000000 ] - [ -0.0002705500000000, -0.0006895800000000, -0.0000766300000000 ] - [ -0.0004907900000000, -0.0005986600000000, -0.0002922300000000 ] - [ -0.0016159800000000, -0.0003311700000000, -0.0005408900000000 ] - [ -0.0004630000000000, 0.0005368100000000, -0.0003771600000000 ] - [ 0.0020698400000000, 0.0001562700000000, -0.0003708500000000 ] - [ 0.0000711400000000, 0.0002285400000000, -0.0004490700000000 ] - [ -0.0001678300000000, -0.0001106100000000, -0.0003881300000000 ] - [ 0.0001798300000000, -0.0002299700000000, -0.0004716100000000 ] - [ 0.0004013500000000, 0.0004015900000000, 0.0012946700000000 ] - [ 0.0000890000000000, 0.0001734600000000, 0.0007984400000000 ] - [ -0.0001411300000000, 0.0000679200000000, 0.0005761300000000 ] - [ 0.0001116500000000, -0.0001456100000000, 0.0007424700000000 ] - [ 0.0010676100000000, 0.0012103500000000, -0.0012141600000000 ] - [ -0.0003755200000000, 0.0006154800000000, 0.0002716700000000 ] - [ -0.0005763100000000, -0.0007389400000000, 0.0008037800000000 ] - [ -0.0002640600000000, -0.0005889000000000, 0.0003992700000000 ] - [ -0.0017216300000000, -0.0021152000000000, 0.0033524000000000 ] - [ 0.0002774000000000, -0.0001167000000000, -0.0000281900000000 ] - [ 0.0005468600000000, 0.0043521900000000, 0.0020177100000000 ] - [ 0.0002212000000000, 0.0001072600000000, 0.0000366800000000 ] - [ 0.0008943700000000, 0.0001400600000000, 0.0005151200000000 ] - [ -0.0004310000000000, -0.0000196400000000, 0.0001203500000000 ] - [ -0.0005606300000000, 0.0001520500000000, 0.0002691900000000 ] - [ -0.0002659000000000, 0.0000991700000000, -0.0000185400000000 ] - [ 0.0007084900000000, 0.0005307800000000, 0.0004784000000000 ] - [ 0.0002303400000000, 0.0005885500000000, -0.0001357100000000 ] - [ -0.0015628100000000, -0.0000646000000000, -0.0010155300000000 ] - [ 0.0003227800000000, -0.0005216900000000, -0.0006394800000000 ] - [ 0.0026253400000000, -0.0044122800000000, 0.0053352000000000 ] - [ 0.0002565400000000, -0.0002032200000000, 0.0005493200000000 ] - [ 0.0012877100000000, -0.0002167000000000, -0.0005551400000000 ] - [ 0.0002370400000000, 0.0002070700000000, 0.0005871300000000 ] - [ -0.0001421400000000, 0.0003669800000000, -0.0003895300000000 ] - [ 0.0000665100000000, -0.0001648900000000, 0.0003158700000000 ] - [ -0.0000895500000000, -0.0030973200000000, 0.0118094900000000 ] - [ 0.0000999500000000, 0.0001122000000000, 0.0003029600000000 ] - [ -0.0000050900000000, 0.0005070900000000, -0.0016016400000000 ] - [ -0.0001810400000000, 0.0006612700000000, -0.0004174300000000 ] - [ 0.0002696200000000, -0.0019388000000000, 0.0004432400000000 ] - [ -0.0000850600000000, -0.0006077800000000, -0.0004361300000000 ] - [ -0.0007284900000000, -0.0005441800000000, 0.0007267700000000 ] - [ -0.0007070400000000, -0.0003629300000000, 0.0003824400000000 ] - [ -0.0042928600000000, 0.0011149400000000, 0.0036335900000000 ] - [ -0.0004731200000000, -0.0004345500000000, -0.0000428600000000 ] - [ -0.0006888600000000, 0.0006743700000000, -0.0003760300000000 ] - [ -0.0007298700000000, 0.0003202300000000, 0.0002974000000000 ] - [ -0.0003366900000000, 0.0003119300000000, -0.0003916300000000 ] - [ -0.0004273400000000, 0.0004794200000000, -0.0001480800000000 ] - [ -0.0002007700000000, -0.0000511400000000, 0.0004414600000000 ] - [ -0.0003087400000000, -0.0000863400000000, 0.0008126300000000 ] - [ -0.0005434200000000, 0.0002567700000000, 0.0017979800000000 ] - [ -0.0002044600000000, 0.0000666600000000, 0.0008982700000000 ] - [ 0.0003774100000000, 0.0000199200000000, -0.0000668100000000 ] - [ 0.0004121100000000, -0.0000220000000000, -0.0004937400000000 ] - [ 0.0002489300000000, 0.0001068000000000, -0.0012594000000000 ] - [ 0.0001173000000000, 0.0000910700000000, -0.0011306400000000 ] - [ 0.0001529900000000, -0.0003802300000000, -0.0001959200000000 ] - [ 0.0006025600000000, -0.0005065200000000, -0.0000284000000000 ] - [ 0.0004071100000000, -0.0003287600000000, -0.0007022900000000 ] - [ 0.0008795300000000, -0.0002858100000000, -0.0004515900000000 ] - [ 0.0009078400000000, 0.0006989200000000, 0.0003108200000000 ] - [ 0.0000327400000000, 0.0005072900000000, 0.0003276200000000 ] - [ 0.0012155300000000, -0.0000648300000000, -0.0004178800000000 ] - [ 0.0005537600000000, 0.0003231300000000, -0.0002308900000000 ] - [ -0.0001857300000000, 0.0006786900000000, 0.0005959900000000 ] - [ 0.0002048700000000, 0.0005755200000000, 0.0004676100000000 ] - [ 0.0001701300000000, -0.0006845400000000, 0.0001061800000000 ] - [ 0.0001154500000000, -0.0005936900000000, 0.0004234600000000 ] - [ -0.0024857700000000, -0.0007631800000000, 0.0009561000000000 ] - [ 0.0000823700000000, -0.0000858300000000, -0.0002974900000000 ] - [ -0.0000424500000000, 0.0001504700000000, -0.0006047700000000 ] - [ -0.0000846200000000, 0.0000921100000000, -0.0003016500000000 ] - [ -0.0007341800000000, -0.0007148000000000, -0.0007165800000000 ] - [ -0.0001631800000000, -0.0002163500000000, -0.0006090500000000 ] - [ 0.0001891900000000, 0.0004953600000000, -0.0007596400000000 ] - [ -0.0002355200000000, 0.0002145000000000, -0.0005835800000000 ]- atom: 9 displacement: [ 0.0007714822112317, 0.0000000000000000, -0.0099701963470011 ] forces: - [ 0.0001507600000000, 0.0005318000000000, 0.0004111300000000 ] - [ -0.0000820100000000, 0.0001542500000000, -0.0007546200000000 ] - [ -0.0002006500000000, -0.0000714600000000, -0.0015070100000000 ] - [ -0.0001096100000000, -0.0001764800000000, -0.0007837500000000 ] - [ 0.0000744700000000, 0.0004029400000000, 0.0004697800000000 ] - [ -0.0001187700000000, 0.0002424900000000, 0.0004811300000000 ] - [ -0.0004593200000000, 0.0008638800000000, 0.0001032400000000 ] - [ -0.0001102900000000, -0.0002434200000000, 0.0004563600000000 ] - [ -0.0011634400000000, -0.0076988600000000, 0.0244926800000000 ] - [ 0.0004974500000000, -0.0005542400000000, 0.0003427000000000 ] - [ 0.0003798200000000, 0.0003397900000000, -0.0002064900000000 ] - [ 0.0004665900000000, 0.0005973200000000, 0.0003065800000000 ] - [ 0.0004666600000000, -0.0013068100000000, -0.0008617700000000 ] - [ -0.0002972100000000, -0.0005071700000000, -0.0001716300000000 ] - [ -0.0004860100000000, 0.0001897200000000, -0.0003337200000000 ] - [ -0.0002505000000000, 0.0004869700000000, -0.0001936400000000 ] - [ -0.0002277700000000, -0.0002124600000000, 0.0012746600000000 ] - [ 0.0001726900000000, 0.0000695200000000, 0.0009359300000000 ] - [ 0.0003549500000000, -0.0000957200000000, 0.0005064900000000 ] - [ -0.0000073700000000, -0.0000404800000000, 0.0007549500000000 ] - [ -0.0001903800000000, -0.0001126800000000, 0.0003730900000000 ] - [ -0.0004588900000000, -0.0001971700000000, 0.0004837200000000 ] - [ -0.0023276300000000, 0.0016013800000000, 0.0006899800000000 ] - [ -0.0002993700000000, 0.0002968800000000, 0.0005770500000000 ] - [ 0.0002420400000000, 0.0000209800000000, -0.0004208300000000 ] - [ 0.0006256100000000, 0.0001066400000000, -0.0003828100000000 ] - [ 0.0004092800000000, 0.0002734700000000, -0.0006153100000000 ] - [ 0.0003508900000000, 0.0002062800000000, -0.0005596500000000 ] - [ -0.0000758800000000, -0.0000236800000000, -0.0009282800000000 ] - [ -0.0001418000000000, 0.0000483200000000, -0.0009189000000000 ] - [ -0.0001603400000000, -0.0002073500000000, -0.0006471100000000 ] - [ -0.0000059300000000, -0.0001940600000000, -0.0006570700000000 ] - [ -0.0005282000000000, -0.0002822300000000, 0.0003104500000000 ] - [ 0.0003533200000000, -0.0005112900000000, 0.0001591300000000 ] - [ 0.0005982400000000, 0.0006158800000000, 0.0000290100000000 ] - [ 0.0002179400000000, 0.0005241800000000, 0.0001498600000000 ] - [ -0.0006762400000000, -0.0005024800000000, -0.0005526000000000 ] - [ -0.0004584900000000, -0.0005907500000000, -0.0003372500000000 ] - [ 0.0006627700000000, 0.0015156700000000, -0.0000878200000000 ] - [ -0.0004826300000000, 0.0006548200000000, -0.0002528200000000 ] - [ -0.0018260300000000, 0.0003532100000000, -0.0005643000000000 ] - [ 0.0001799400000000, 0.0002783300000000, -0.0004939000000000 ] - [ 0.0004186900000000, -0.0003948000000000, -0.0005602600000000 ] - [ 0.0000721000000000, -0.0002758100000000, -0.0004762700000000 ] - [ -0.0002042100000000, -0.0000566400000000, 0.0002493300000000 ] - [ 0.0001122200000000, 0.0001747100000000, 0.0007472400000000 ] - [ 0.0003416100000000, -0.0004150600000000, 0.0009713600000000 ] - [ 0.0000887800000000, -0.0002024300000000, 0.0008055800000000 ] - [ -0.0016937900000000, -0.0000211700000000, 0.0019281500000000 ] - [ -0.0002482700000000, 0.0005571400000000, 0.0004531500000000 ] - [ -0.0000464000000000, -0.0004322600000000, -0.0000770800000000 ] - [ -0.0003592500000000, -0.0005817800000000, 0.0003269800000000 ] - [ 0.0022418800000000, 0.0019257700000000, -0.0033643700000000 ] - [ 0.0002359400000000, -0.0001083500000000, 0.0000240600000000 ] - [ -0.0000319900000000, -0.0041273700000000, -0.0020039000000000 ] - [ 0.0002920800000000, 0.0001187500000000, -0.0000414800000000 ] - [ -0.0014145400000000, -0.0003579200000000, -0.0004908500000000 ] - [ -0.0000856900000000, -0.0002042000000000, -0.0001128900000000 ] - [ 0.0000469100000000, 0.0000740800000000, -0.0002633300000000 ] - [ -0.0002478300000000, 0.0001269200000000, 0.0000241500000000 ] - [ -0.0000863000000000, 0.0006441100000000, -0.0011994500000000 ] - [ 0.0003928900000000, 0.0005834900000000, -0.0005878200000000 ] - [ 0.0021767000000000, -0.0011040500000000, 0.0002867800000000 ] - [ 0.0002992600000000, -0.0006482400000000, -0.0000877000000000 ] - [ -0.0022005600000000, 0.0041401200000000, -0.0042305000000000 ] - [ 0.0002309500000000, -0.0002177800000000, 0.0006115300000000 ] - [ -0.0007989800000000, 0.0006409900000000, 0.0017160500000000 ] - [ 0.0002495400000000, 0.0002151100000000, 0.0005750200000000 ] - [ 0.0003082300000000, -0.0006033300000000, 0.0009791900000000 ] - [ 0.0000955000000000, -0.0000728800000000, 0.0002783600000000 ] - [ 0.0003058700000000, 0.0032913900000000, -0.0105196000000000 ] - [ 0.0000628600000000, 0.0001262800000000, 0.0002920000000000 ] - [ -0.0002716700000000, 0.0007242300000000, 0.0007448800000000 ] - [ -0.0000902800000000, 0.0005774900000000, -0.0004465100000000 ] - [ -0.0005431200000000, 0.0006987500000000, -0.0013055900000000 ] - [ -0.0001852700000000, -0.0006295800000000, -0.0004273400000000 ] - [ -0.0006929900000000, -0.0001314800000000, -0.0000410500000000 ] - [ -0.0007147200000000, -0.0003075200000000, 0.0003034600000000 ] - [ 0.0034639700000000, -0.0020651900000000, -0.0037864700000000 ] - [ -0.0003694900000000, -0.0005027300000000, -0.0001426700000000 ] - [ -0.0007330600000000, -0.0000030200000000, 0.0010624100000000 ] - [ -0.0006918700000000, 0.0003503800000000, 0.0003876500000000 ] - [ -0.0005045000000000, 0.0006258000000000, 0.0002046200000000 ] - [ -0.0004138100000000, 0.0004588700000000, -0.0000383800000000 ] - [ -0.0003607100000000, -0.0001189400000000, 0.0011839300000000 ] - [ -0.0002522600000000, -0.0000843500000000, 0.0008133400000000 ] - [ -0.0000177200000000, -0.0000804100000000, -0.0001683700000000 ] - [ -0.0003563400000000, 0.0001056200000000, 0.0007302700000000 ] - [ 0.0001864400000000, -0.0001895800000000, -0.0015563200000000 ] - [ 0.0001533300000000, -0.0001480100000000, -0.0011317700000000 ] - [ 0.0003133600000000, 0.0000662300000000, -0.0003678600000000 ] - [ 0.0004427500000000, 0.0000822800000000, -0.0004969200000000 ] - [ 0.0006877400000000, -0.0005573300000000, 0.0003808100000000 ] - [ 0.0002390200000000, -0.0004313000000000, 0.0002151200000000 ] - [ 0.0010172700000000, -0.0003414100000000, 0.0000186000000000 ] - [ 0.0005421100000000, -0.0003834300000000, -0.0002333900000000 ] - [ -0.0000635600000000, 0.0002409400000000, -0.0001221400000000 ] - [ 0.0008061400000000, 0.0004306900000000, -0.0001386400000000 ] - [ 0.0002096800000000, 0.0007327300000000, -0.0002651900000000 ] - [ 0.0008682900000000, 0.0003471600000000, -0.0004512400000000 ] - [ 0.0004567300000000, 0.0005557200000000, 0.0002691000000000 ] - [ 0.0000668000000000, 0.0006625300000000, 0.0003977800000000 ] - [ 0.0001008200000000, -0.0005517400000000, 0.0007591700000000 ] - [ 0.0001551500000000, -0.0006431600000000, 0.0004418000000000 ] - [ 0.0023755600000000, 0.0005596800000000, -0.0015711100000000 ] - [ -0.0002433100000000, -0.0001510200000000, -0.0002955600000000 ] - [ -0.0001200400000000, 0.0000865000000000, 0.0000110300000000 ] - [ -0.0000786300000000, 0.0001448800000000, -0.0002914900000000 ] - [ 0.0002545000000000, 0.0002989100000000, -0.0004460000000000 ] - [ -0.0003223700000000, -0.0002048800000000, -0.0005523800000000 ] - [ -0.0006754900000000, -0.0000726700000000, -0.0004010600000000 ] - [ -0.0002512600000000, 0.0002076100000000, -0.0005766100000000 ]- atom: 13 displacement: [ 0.0099872533903921, 0.0000000000000000, -0.0005047471803797 ] forces: - [ -0.0004488600000000, 0.0002210700000000, -0.0009955600000000 ] - [ 0.0000507000000000, 0.0001881900000000, -0.0007637600000000 ] - [ -0.0001290000000000, 0.0000308400000000, -0.0004841800000000 ] - [ 0.0000058200000000, -0.0001990900000000, -0.0007951600000000 ] - [ -0.0019322900000000, 0.0005717900000000, 0.0008555100000000 ] - [ 0.0000618900000000, 0.0002491900000000, 0.0005118800000000 ] - [ -0.0002106100000000, -0.0003012900000000, 0.0003088100000000 ] - [ -0.0000498600000000, -0.0002531100000000, 0.0004839100000000 ] - [ 0.0000434800000000, -0.0007996300000000, -0.0005053400000000 ] - [ 0.0006304500000000, -0.0006143100000000, 0.0003327400000000 ] - [ 0.0002936900000000, 0.0004294400000000, 0.0004881300000000 ] - [ 0.0005885800000000, 0.0006297600000000, 0.0002812500000000 ] - [ -0.0129774700000000, 0.0084842700000000, -0.0020079400000000 ] - [ -0.0000688300000000, -0.0005003600000000, -0.0001367300000000 ] - [ -0.0003849000000000, 0.0005789300000000, -0.0003699100000000 ] - [ -0.0002095100000000, 0.0005069200000000, -0.0001641700000000 ] - [ -0.0000182200000000, 0.0000649500000000, 0.0008251400000000 ] - [ 0.0002235200000000, 0.0000397600000000, 0.0008055900000000 ] - [ -0.0006047000000000, 0.0004627700000000, 0.0006592100000000 ] - [ 0.0002933600000000, -0.0000322800000000, 0.0008813100000000 ] - [ -0.0005502800000000, -0.0009800700000000, 0.0005341600000000 ] - [ -0.0002143700000000, -0.0002318200000000, 0.0005080400000000 ] - [ -0.0001071100000000, 0.0002335900000000, 0.0005177400000000 ] - [ -0.0002822400000000, 0.0002423500000000, 0.0004791700000000 ] - [ 0.0006691500000000, -0.0003549500000000, -0.0005682100000000 ] - [ 0.0003586100000000, -0.0002366300000000, -0.0000975300000000 ] - [ 0.0004265000000000, 0.0001990700000000, -0.0004002400000000 ] - [ 0.0004824300000000, 0.0001726700000000, -0.0006223900000000 ] - [ 0.0001204900000000, 0.0000111500000000, -0.0006313200000000 ] - [ 0.0004270500000000, 0.0001822600000000, -0.0014551500000000 ] - [ 0.0002255500000000, -0.0000499400000000, -0.0009903200000000 ] - [ -0.0001899700000000, -0.0000453600000000, -0.0007936900000000 ] - [ 0.0004660900000000, -0.0003442700000000, 0.0002107600000000 ] - [ 0.0003044300000000, -0.0005703300000000, 0.0002692200000000 ] - [ 0.0002620300000000, 0.0004993700000000, 0.0001392900000000 ] - [ 0.0003616000000000, 0.0005026700000000, 0.0000879100000000 ] - [ -0.0005104000000000, 0.0001217300000000, 0.0005092900000000 ] - [ -0.0003103800000000, -0.0006193600000000, -0.0003656500000000 ] - [ -0.0006092000000000, 0.0006163200000000, -0.0006413100000000 ] - [ -0.0004487000000000, 0.0006072700000000, -0.0002409900000000 ] - [ 0.0003338000000000, 0.0000133400000000, -0.0004525200000000 ] - [ 0.0003564100000000, 0.0004453200000000, -0.0001930900000000 ] - [ 0.0000702800000000, -0.0002470900000000, -0.0005168700000000 ] - [ 0.0002094700000000, -0.0002472200000000, -0.0005394100000000 ] - [ 0.0026318900000000, -0.0009071600000000, 0.0029421200000000 ] - [ 0.0003575000000000, 0.0000870300000000, 0.0006941200000000 ] - [ -0.0000729500000000, -0.0001745300000000, 0.0004901100000000 ] - [ 0.0001490300000000, -0.0001821000000000, 0.0008641500000000 ] - [ -0.0012547100000000, -0.0001941200000000, -0.0008141600000000 ] - [ 0.0000195100000000, 0.0006346500000000, 0.0003854800000000 ] - [ -0.0030733100000000, 0.0001537800000000, -0.0014194500000000 ] - [ -0.0000616300000000, -0.0006069800000000, 0.0004806400000000 ] - [ -0.0002852800000000, -0.0010627600000000, -0.0007192200000000 ] - [ 0.0005649900000000, -0.0001430600000000, 0.0000602200000000 ] - [ 0.0000961400000000, 0.0001657100000000, -0.0000745300000000 ] - [ 0.0004323200000000, 0.0001120600000000, -0.0000451800000000 ] - [ 0.0020854900000000, -0.0009053400000000, -0.0030786800000000 ] - [ 0.0008884600000000, -0.0003111000000000, 0.0007349900000000 ] - [ -0.0003835200000000, 0.0001677500000000, 0.0001225000000000 ] - [ -0.0002236700000000, 0.0000670600000000, -0.0002213100000000 ] - [ -0.0000334900000000, 0.0004786100000000, 0.0000075100000000 ] - [ 0.0003795400000000, 0.0014481000000000, -0.0007332900000000 ] - [ 0.0001971800000000, -0.0005799400000000, -0.0005514600000000 ] - [ 0.0004513000000000, -0.0006622200000000, -0.0002566300000000 ] - [ 0.0004250500000000, 0.0000513000000000, 0.0005755900000000 ] - [ -0.0000511700000000, -0.0002489700000000, 0.0005515000000000 ] - [ 0.0004462400000000, 0.0002221900000000, 0.0003725100000000 ] - [ 0.0000191800000000, 0.0002132800000000, 0.0007129300000000 ] - [ 0.0005565900000000, 0.0003041900000000, 0.0000738800000000 ] - [ -0.0002369500000000, -0.0001789100000000, 0.0002115300000000 ] - [ 0.0003114600000000, 0.0000535800000000, 0.0003384600000000 ] - [ -0.0000351600000000, 0.0001110600000000, 0.0002755800000000 ] - [ 0.0032893300000000, -0.0018423300000000, 0.0020857400000000 ] - [ -0.0004130700000000, 0.0005991300000000, -0.0004547700000000 ] - [ 0.0000631300000000, -0.0006805300000000, -0.0002235100000000 ] - [ -0.0002578700000000, -0.0005887600000000, -0.0004633700000000 ] - [ -0.0004037600000000, -0.0001161300000000, 0.0004952800000000 ] - [ -0.0009814100000000, -0.0003603200000000, 0.0003486300000000 ] - [ 0.0015728200000000, 0.0007682500000000, 0.0024155300000000 ] - [ -0.0007675500000000, -0.0004723500000000, -0.0000355800000000 ] - [ -0.0004459600000000, -0.0001638700000000, 0.0007615300000000 ] - [ -0.0008199700000000, 0.0003525100000000, 0.0003026800000000 ] - [ -0.0000359800000000, 0.0009741500000000, 0.0008115500000000 ] - [ -0.0005410600000000, 0.0004654400000000, -0.0001264700000000 ] - [ 0.0073310100000000, -0.0061781500000000, -0.0027867000000000 ] - [ -0.0006837800000000, -0.0001067700000000, 0.0007149400000000 ] - [ -0.0000979700000000, 0.0001169600000000, 0.0010239500000000 ] - [ -0.0004717500000000, 0.0000926800000000, 0.0008125200000000 ] - [ 0.0001342200000000, -0.0000438500000000, -0.0007190200000000 ] - [ 0.0003138500000000, -0.0001312600000000, -0.0009453800000000 ] - [ 0.0002497100000000, 0.0001037200000000, -0.0009903800000000 ] - [ 0.0004831800000000, 0.0000625300000000, -0.0005616100000000 ] - [ 0.0003438200000000, -0.0008595700000000, -0.0001942900000000 ] - [ 0.0004894900000000, -0.0004437000000000, 0.0000164300000000 ] - [ 0.0004562900000000, 0.0000383900000000, -0.0006692600000000 ] - [ -0.0000152300000000, -0.0015397100000000, 0.0003308700000000 ] - [ 0.0003274800000000, 0.0005205600000000, 0.0002576800000000 ] - [ 0.0004630900000000, 0.0004824800000000, 0.0001369800000000 ] - [ 0.0006176900000000, 0.0002542100000000, -0.0001643900000000 ] - [ 0.0007287800000000, 0.0003642900000000, -0.0003622300000000 ] - [ 0.0002798400000000, 0.0000238200000000, 0.0014244300000000 ] - [ -0.0001581500000000, 0.0008819500000000, 0.0000458300000000 ] - [ 0.0002829500000000, -0.0007420600000000, 0.0000418400000000 ] - [ -0.0000117800000000, -0.0004930100000000, 0.0006488400000000 ] - [ 0.0000953800000000, 0.0006293900000000, 0.0006721200000000 ] - [ -0.0003267900000000, -0.0002539100000000, -0.0006130000000000 ] - [ 0.0000830100000000, 0.0001679700000000, -0.0004996100000000 ] - [ -0.0002047700000000, 0.0000394500000000, -0.0001824500000000 ] - [ -0.0010941100000000, 0.0000361000000000, 0.0011779300000000 ] - [ -0.0008386600000000, -0.0001924700000000, -0.0005228400000000 ] - [ 0.0000836500000000, 0.0002285000000000, -0.0004048900000000 ] - [ -0.0004276200000000, 0.0002151800000000, -0.0005430900000000 ]- atom: 13 displacement: [ -0.0099872533903921, 0.0000000000000000, 0.0005047471803797 ] forces: - [ 0.0002493500000000, 0.0001268300000000, -0.0005514000000000 ] - [ -0.0002513000000000, 0.0001604800000000, -0.0007839600000000 ] - [ -0.0000713200000000, -0.0003757300000000, -0.0010601200000000 ] - [ -0.0002070000000000, -0.0001482200000000, -0.0007527400000000 ] - [ 0.0016890800000000, -0.0000436500000000, 0.0000922600000000 ] - [ -0.0003133900000000, 0.0002577300000000, 0.0004348200000000 ] - [ -0.0000405200000000, -0.0002059800000000, 0.0006369100000000 ] - [ -0.0002023100000000, -0.0002539800000000, 0.0004622300000000 ] - [ 0.0009084500000000, -0.0003888500000000, 0.0011405800000000 ] - [ 0.0003168100000000, -0.0005760300000000, 0.0002984000000000 ] - [ 0.0006536000000000, 0.0007616000000000, 0.0001428200000000 ] - [ 0.0003587200000000, 0.0005616700000000, 0.0003488300000000 ] - [ 0.0125339600000000, -0.0092186800000000, 0.0018863900000000 ] - [ -0.0005131800000000, -0.0005182800000000, -0.0002078200000000 ] - [ -0.0001967200000000, 0.0004387300000000, 0.0000256600000000 ] - [ -0.0003732500000000, 0.0005104500000000, -0.0001804100000000 ] - [ 0.0001751800000000, 0.0000399400000000, 0.0008344600000000 ] - [ -0.0000652400000000, 0.0000647000000000, 0.0008548400000000 ] - [ 0.0007567200000000, -0.0005659700000000, 0.0009986000000000 ] - [ -0.0001353200000000, -0.0000710400000000, 0.0007780700000000 ] - [ -0.0002068100000000, 0.0005081700000000, 0.0004687900000000 ] - [ -0.0005444600000000, -0.0002440700000000, 0.0004962600000000 ] - [ -0.0006534800000000, 0.0002407900000000, 0.0004821400000000 ] - [ -0.0004770300000000, 0.0002340500000000, 0.0005253500000000 ] - [ 0.0000897300000000, -0.0001205400000000, -0.0004361300000000 ] - [ 0.0003962300000000, -0.0002401100000000, -0.0009028900000000 ] - [ 0.0003333400000000, 0.0002767900000000, -0.0006042200000000 ] - [ 0.0002754100000000, 0.0003061400000000, -0.0003817700000000 ] - [ -0.0002783400000000, 0.0000918200000000, -0.0010294500000000 ] - [ -0.0005856700000000, -0.0000852800000000, -0.0002092300000000 ] - [ -0.0003834600000000, -0.0000534700000000, -0.0006698100000000 ] - [ 0.0000290500000000, -0.0000582600000000, -0.0008659600000000 ] - [ 0.0001165500000000, -0.0006735800000000, 0.0001336300000000 ] - [ 0.0002773800000000, -0.0004475300000000, 0.0000758100000000 ] - [ 0.0003208700000000, 0.0005199200000000, 0.0002052700000000 ] - [ 0.0002205300000000, 0.0005156800000000, 0.0002555200000000 ] - [ -0.0004376100000000, -0.0013162300000000, -0.0011434500000000 ] - [ -0.0006376400000000, -0.0005716000000000, -0.0002658800000000 ] - [ -0.0003373900000000, 0.0005738400000000, 0.0000115400000000 ] - [ -0.0004982700000000, 0.0005841700000000, -0.0003888400000000 ] - [ -0.0000825500000000, 0.0004946300000000, -0.0004926800000000 ] - [ -0.0001026800000000, 0.0000638000000000, -0.0007495000000000 ] - [ 0.0001825500000000, -0.0002597600000000, -0.0004295900000000 ] - [ 0.0000426300000000, -0.0002584800000000, -0.0004072400000000 ] - [ -0.0024731000000000, 0.0012672700000000, -0.0014301800000000 ] - [ -0.0001553200000000, 0.0002588600000000, 0.0008520900000000 ] - [ 0.0002748500000000, -0.0001737000000000, 0.0010581700000000 ] - [ 0.0000515600000000, -0.0001662300000000, 0.0006843600000000 ] - [ 0.0006452600000000, 0.0013802100000000, 0.0015362800000000 ] - [ -0.0006451700000000, 0.0005369600000000, 0.0003407400000000 ] - [ 0.0024539500000000, -0.0013168400000000, 0.0021593600000000 ] - [ -0.0005649500000000, -0.0005645600000000, 0.0002437600000000 ] - [ 0.0008007000000000, 0.0008195400000000, 0.0007053500000000 ] - [ -0.0000478800000000, -0.0000829600000000, -0.0000648800000000 ] - [ 0.0004173600000000, 0.0000593700000000, 0.0000685300000000 ] - [ 0.0000839400000000, 0.0001135500000000, 0.0000395100000000 ] - [ -0.0026254000000000, 0.0006760900000000, 0.0030881400000000 ] - [ -0.0013963800000000, 0.0000829700000000, -0.0007236200000000 ] - [ -0.0001320900000000, 0.0000572000000000, -0.0001175000000000 ] - [ -0.0002950600000000, 0.0001580600000000, 0.0002256800000000 ] - [ 0.0006681300000000, 0.0006928600000000, -0.0007337900000000 ] - [ 0.0002451300000000, -0.0002634800000000, 0.0000051500000000 ] - [ 0.0004312300000000, -0.0005915100000000, -0.0001729300000000 ] - [ 0.0001742000000000, -0.0005106700000000, -0.0004680500000000 ] - [ 0.0000535100000000, -0.0004746600000000, 0.0005912600000000 ] - [ 0.0005320000000000, -0.0001733100000000, 0.0006134400000000 ] - [ 0.0000343500000000, 0.0002002200000000, 0.0007915900000000 ] - [ 0.0004620100000000, 0.0002084900000000, 0.0004536300000000 ] - [ -0.0003967600000000, -0.0005322000000000, 0.0005138500000000 ] - [ 0.0003970100000000, -0.0000589000000000, 0.0003766900000000 ] - [ -0.0001501000000000, 0.0001849600000000, 0.0002523100000000 ] - [ 0.0001974600000000, 0.0001254200000000, 0.0003131700000000 ] - [ -0.0035349700000000, 0.0030700100000000, -0.0029468500000000 ] - [ 0.0001409300000000, 0.0006377500000000, -0.0004133000000000 ] - [ -0.0003349000000000, -0.0005570200000000, -0.0006449900000000 ] - [ -0.0000135000000000, -0.0006478900000000, -0.0004054200000000 ] - [ -0.0010158800000000, -0.0005614200000000, 0.0001902500000000 ] - [ -0.0004383900000000, -0.0003131100000000, 0.0003359400000000 ] - [ -0.0024568400000000, -0.0017207300000000, -0.0026654600000000 ] - [ -0.0000711200000000, -0.0004616500000000, -0.0001484600000000 ] - [ -0.0009732100000000, 0.0008373500000000, -0.0000777500000000 ] - [ -0.0005997900000000, 0.0003206400000000, 0.0003823900000000 ] - [ -0.0008035900000000, -0.0000430300000000, -0.0009993100000000 ] - [ -0.0002980500000000, 0.0004686300000000, -0.0000572600000000 ] - [ -0.0078119600000000, 0.0058153700000000, 0.0042656800000000 ] - [ 0.0001250800000000, -0.0000669100000000, 0.0009107400000000 ] - [ -0.0004599600000000, 0.0000521400000000, 0.0006070100000000 ] - [ -0.0000868300000000, 0.0000810500000000, 0.0008114700000000 ] - [ 0.0004229400000000, -0.0001301100000000, -0.0009061500000000 ] - [ 0.0002459300000000, -0.0000426900000000, -0.0006807800000000 ] - [ 0.0003063700000000, 0.0000697600000000, -0.0006350900000000 ] - [ 0.0000778700000000, 0.0001109000000000, -0.0010597800000000 ] - [ 0.0004923900000000, -0.0000714200000000, 0.0003802100000000 ] - [ 0.0003533400000000, -0.0004953200000000, 0.0001655800000000 ] - [ 0.0009640800000000, -0.0007153400000000, -0.0000133800000000 ] - [ 0.0014245400000000, 0.0008491600000000, -0.0010054100000000 ] - [ 0.0005103300000000, 0.0004127100000000, -0.0000745800000000 ] - [ 0.0003775600000000, 0.0004527900000000, 0.0000478100000000 ] - [ 0.0008012100000000, 0.0004194400000000, -0.0005206200000000 ] - [ 0.0006916000000000, 0.0003087900000000, -0.0003222800000000 ] - [ -0.0000082600000000, 0.0012133100000000, -0.0005603300000000 ] - [ 0.0004276000000000, 0.0003575000000000, 0.0008188200000000 ] - [ -0.0000117700000000, -0.0004958500000000, 0.0008284100000000 ] - [ 0.0002841000000000, -0.0007422100000000, 0.0002212800000000 ] - [ -0.0002530800000000, -0.0008652700000000, -0.0012648000000000 ] - [ 0.0001637400000000, 0.0000165700000000, 0.0000216500000000 ] - [ -0.0002464200000000, 0.0000695200000000, -0.0000891400000000 ] - [ 0.0000433300000000, 0.0001960200000000, -0.0004060300000000 ] - [ 0.0004609800000000, -0.0005498100000000, -0.0023433600000000 ] - [ 0.0003533800000000, -0.0002291000000000, -0.0006422100000000 ] - [ -0.0005671100000000, 0.0001933600000000, -0.0007601000000000 ] - [ -0.0000532700000000, 0.0002064900000000, -0.0006226000000000 ]- atom: 13 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0001027400000000, 0.0005150200000000, -0.0006332000000000 ] - [ -0.0000989500000000, 0.0002201500000000, -0.0007783300000000 ] - [ -0.0002196200000000, -0.0006995800000000, -0.0017996800000000 ] - [ -0.0001159900000000, -0.0002120500000000, -0.0007907600000000 ] - [ 0.0006534700000000, 0.0054654500000000, 0.0006156500000000 ] - [ -0.0001239400000000, 0.0003267900000000, 0.0004976400000000 ] - [ -0.0001783900000000, -0.0001710300000000, 0.0006058300000000 ] - [ -0.0001212500000000, -0.0002690900000000, 0.0004747300000000 ] - [ 0.0002040700000000, -0.0006322700000000, 0.0010909200000000 ] - [ 0.0004913500000000, -0.0006368500000000, 0.0003143200000000 ] - [ 0.0005786300000000, 0.0008471600000000, 0.0000021500000000 ] - [ 0.0004655600000000, 0.0006395900000000, 0.0002924200000000 ] - [ 0.0085458900000000, -0.0292376800000000, -0.0008280400000000 ] - [ -0.0002802700000000, -0.0005857700000000, -0.0001323900000000 ] - [ -0.0003505200000000, 0.0003683100000000, 0.0000407700000000 ] - [ -0.0002894400000000, 0.0005240600000000, -0.0001689700000000 ] - [ 0.0000256000000000, 0.0002116600000000, 0.0008543400000000 ] - [ 0.0000816300000000, 0.0000930800000000, 0.0008191000000000 ] - [ 0.0010119200000000, -0.0000595100000000, -0.0000834300000000 ] - [ 0.0000307800000000, -0.0000835600000000, 0.0008046700000000 ] - [ -0.0002030800000000, 0.0005273300000000, 0.0004215100000000 ] - [ -0.0004351300000000, -0.0001774900000000, 0.0004556700000000 ] - [ -0.0004515700000000, 0.0005662200000000, 0.0005774600000000 ] - [ -0.0003751800000000, 0.0002193000000000, 0.0004697200000000 ] - [ 0.0004632300000000, -0.0003331900000000, -0.0005430300000000 ] - [ 0.0004371200000000, -0.0001570200000000, -0.0003615100000000 ] - [ 0.0003833400000000, 0.0003113300000000, -0.0005527100000000 ] - [ 0.0002142700000000, 0.0004901000000000, -0.0004805700000000 ] - [ -0.0000195700000000, -0.0000803200000000, -0.0007854000000000 ] - [ -0.0004891700000000, -0.0007993000000000, -0.0006260800000000 ] - [ 0.0000286300000000, -0.0000114000000000, -0.0009495700000000 ] - [ -0.0000838800000000, -0.0001373200000000, -0.0009113800000000 ] - [ 0.0001312300000000, -0.0002626500000000, 0.0002865500000000 ] - [ 0.0003529300000000, -0.0004215300000000, 0.0001681700000000 ] - [ 0.0002790800000000, 0.0004502200000000, 0.0001337200000000 ] - [ 0.0002860400000000, 0.0004555600000000, 0.0001977700000000 ] - [ -0.0006612200000000, 0.0000075800000000, -0.0001017900000000 ] - [ -0.0005790900000000, -0.0004600000000000, -0.0003259600000000 ] - [ -0.0004892700000000, 0.0005808400000000, -0.0004236800000000 ] - [ -0.0004471600000000, 0.0005825900000000, -0.0003281400000000 ] - [ -0.0001020300000000, 0.0000154200000000, -0.0003423400000000 ] - [ 0.0003144900000000, 0.0002871600000000, -0.0003431700000000 ] - [ 0.0001148600000000, -0.0001839500000000, -0.0004940000000000 ] - [ 0.0001377500000000, -0.0002018500000000, -0.0004660600000000 ] - [ -0.0011148200000000, -0.0011073500000000, 0.0005771800000000 ] - [ 0.0001687700000000, -0.0000039000000000, 0.0007361900000000 ] - [ 0.0000498300000000, -0.0001510500000000, 0.0006559200000000 ] - [ 0.0001077500000000, -0.0001521200000000, 0.0007404900000000 ] - [ -0.0011748300000000, -0.0006798400000000, -0.0012202800000000 ] - [ -0.0002749400000000, 0.0006087500000000, 0.0002715500000000 ] - [ 0.0014303200000000, -0.0010178100000000, 0.0032807000000000 ] - [ -0.0003345200000000, -0.0006051600000000, 0.0004411200000000 ] - [ -0.0003816100000000, 0.0051700100000000, 0.0015042000000000 ] - [ 0.0002517100000000, -0.0001184500000000, 0.0000199700000000 ] - [ 0.0005476400000000, 0.0001224800000000, -0.0000443000000000 ] - [ 0.0002509900000000, 0.0001065300000000, -0.0000437900000000 ] - [ 0.0000295800000000, -0.0004473800000000, -0.0022428300000000 ] - [ -0.0008179700000000, -0.0002724100000000, -0.0005359000000000 ] - [ 0.0000664500000000, 0.0000622800000000, 0.0000224800000000 ] - [ -0.0002848300000000, 0.0000773500000000, 0.0001674900000000 ] - [ -0.0010399000000000, 0.0009073000000000, -0.0005178800000000 ] - [ 0.0002512000000000, 0.0012040300000000, -0.0004096800000000 ] - [ 0.0002282300000000, -0.0005774200000000, -0.0003481300000000 ] - [ 0.0003679000000000, -0.0005443600000000, -0.0002219200000000 ] - [ 0.0011042600000000, -0.0006482200000000, -0.0000940200000000 ] - [ 0.0001969000000000, -0.0002437700000000, 0.0005589200000000 ] - [ 0.0001511900000000, 0.0000703100000000, 0.0010477600000000 ] - [ 0.0002105000000000, 0.0002083000000000, 0.0005784100000000 ] - [ 0.0003971000000000, -0.0016780600000000, 0.0008360100000000 ] - [ 0.0000475000000000, -0.0002020800000000, 0.0002724000000000 ] - [ 0.0000683500000000, 0.0002368000000000, 0.0003230000000000 ] - [ 0.0000787700000000, 0.0002064800000000, 0.0003495100000000 ] - [ -0.0040659500000000, 0.0099063100000000, -0.0077283200000000 ] - [ -0.0001276500000000, 0.0006464400000000, -0.0004263300000000 ] - [ -0.0001485600000000, -0.0007710500000000, -0.0004494500000000 ] - [ -0.0001453600000000, -0.0007025900000000, -0.0003880300000000 ] - [ -0.0007771800000000, -0.0007542900000000, 0.0011236100000000 ] - [ -0.0007887900000000, -0.0004117600000000, 0.0003811400000000 ] - [ 0.0009274600000000, 0.0020127400000000, 0.0028138400000000 ] - [ -0.0005447700000000, -0.0004013500000000, -0.0000160800000000 ] - [ -0.0007650700000000, 0.0015047700000000, 0.0000990200000000 ] - [ -0.0006731200000000, 0.0004117800000000, 0.0003352000000000 ] - [ -0.0005107700000000, -0.0002265600000000, -0.0007837200000000 ] - [ -0.0003877500000000, 0.0003944100000000, -0.0001076700000000 ] - [ -0.0061906500000000, 0.0079595900000000, 0.0038189200000000 ] - [ -0.0003219800000000, -0.0001064700000000, 0.0007515600000000 ] - [ -0.0001033300000000, 0.0005087600000000, 0.0001646600000000 ] - [ -0.0002799100000000, 0.0000903100000000, 0.0008718300000000 ] - [ 0.0003860000000000, -0.0000734100000000, -0.0009199200000000 ] - [ 0.0001258400000000, -0.0001580800000000, -0.0010781900000000 ] - [ 0.0005703800000000, 0.0001092900000000, -0.0005361800000000 ] - [ 0.0002688500000000, -0.0000024000000000, -0.0006214100000000 ] - [ 0.0008359800000000, -0.0010425300000000, -0.0001481700000000 ] - [ 0.0005398400000000, -0.0008743400000000, 0.0000523700000000 ] - [ 0.0010137900000000, -0.0000494000000000, -0.0003681000000000 ] - [ -0.0000361100000000, -0.0006521000000000, 0.0000490400000000 ] - [ 0.0004191100000000, 0.0005549900000000, 0.0001606700000000 ] - [ 0.0004249300000000, 0.0005014200000000, 0.0000607200000000 ] - [ 0.0007057300000000, 0.0002179600000000, -0.0002501800000000 ] - [ 0.0007514100000000, 0.0002200400000000, -0.0003550300000000 ] - [ 0.0005563700000000, -0.0000221600000000, 0.0009128600000000 ] - [ 0.0002160700000000, 0.0004539900000000, 0.0005898000000000 ] - [ 0.0000757600000000, -0.0001757800000000, 0.0005364800000000 ] - [ 0.0002393600000000, -0.0004892500000000, 0.0003978100000000 ] - [ 0.0004416100000000, 0.0006246000000000, 0.0000287100000000 ] - [ -0.0000786200000000, 0.0001178500000000, -0.0001601700000000 ] - [ -0.0001879000000000, -0.0001130900000000, -0.0002949500000000 ] - [ -0.0000037000000000, 0.0000433100000000, -0.0003517500000000 ] - [ -0.0012589500000000, 0.0020625200000000, 0.0010876900000000 ] - [ -0.0000606000000000, -0.0001724700000000, -0.0005703100000000 ] - [ -0.0003923700000000, 0.0002145200000000, -0.0006663100000000 ] - [ -0.0002453000000000, 0.0002207200000000, -0.0005931300000000 ]- atom: 13 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0000988600000000, -0.0001658900000000, -0.0009137400000000 ] - [ -0.0001019200000000, 0.0001286200000000, -0.0007697500000000 ] - [ 0.0000182200000000, 0.0003546800000000, 0.0002511700000000 ] - [ -0.0000851600000000, -0.0001350300000000, -0.0007579600000000 ] - [ -0.0009190800000000, -0.0050564700000000, 0.0003255000000000 ] - [ -0.0001285900000000, 0.0001800000000000, 0.0004477600000000 ] - [ -0.0000732900000000, -0.0003355000000000, 0.0003405000000000 ] - [ -0.0001303400000000, -0.0002374700000000, 0.0004710900000000 ] - [ 0.0007448900000000, -0.0005617200000000, -0.0004563800000000 ] - [ 0.0004554500000000, -0.0005536100000000, 0.0003160900000000 ] - [ 0.0003691400000000, 0.0003436600000000, 0.0006267000000000 ] - [ 0.0004817100000000, 0.0005518900000000, 0.0003377800000000 ] - [ -0.0090865000000000, 0.0281693100000000, 0.0010886200000000 ] - [ -0.0003031400000000, -0.0004329500000000, -0.0002126500000000 ] - [ -0.0002308800000000, 0.0006483500000000, -0.0003835800000000 ] - [ -0.0002940900000000, 0.0004936400000000, -0.0001760200000000 ] - [ 0.0001332100000000, -0.0001079300000000, 0.0008074700000000 ] - [ 0.0000761700000000, 0.0000111000000000, 0.0008413000000000 ] - [ -0.0008525100000000, -0.0000468500000000, 0.0017411600000000 ] - [ 0.0001283000000000, -0.0000254500000000, 0.0008556900000000 ] - [ -0.0005520400000000, -0.0009993300000000, 0.0005793500000000 ] - [ -0.0003242300000000, -0.0002988300000000, 0.0005485400000000 ] - [ -0.0003083700000000, -0.0000911700000000, 0.0004220700000000 ] - [ -0.0003841500000000, 0.0002576200000000, 0.0005345400000000 ] - [ 0.0002968000000000, -0.0001420900000000, -0.0004617500000000 ] - [ 0.0003190700000000, -0.0003221700000000, -0.0006429700000000 ] - [ 0.0003765700000000, 0.0001645200000000, -0.0004519600000000 ] - [ 0.0005447000000000, -0.0000135500000000, -0.0005235200000000 ] - [ -0.0001374600000000, 0.0001813100000000, -0.0008752500000000 ] - [ 0.0003330100000000, 0.0008960000000000, -0.0010333700000000 ] - [ -0.0001863900000000, -0.0000918000000000, -0.0007108900000000 ] - [ -0.0000730800000000, 0.0000339000000000, -0.0007482300000000 ] - [ 0.0004497500000000, -0.0007533700000000, 0.0000562500000000 ] - [ 0.0002309000000000, -0.0005954600000000, 0.0001762400000000 ] - [ 0.0003037400000000, 0.0005691700000000, 0.0002104000000000 ] - [ 0.0002970100000000, 0.0005636400000000, 0.0001464200000000 ] - [ -0.0002881600000000, -0.0011981100000000, -0.0005267200000000 ] - [ -0.0003688900000000, -0.0007308900000000, -0.0003045700000000 ] - [ -0.0004579100000000, 0.0006099400000000, -0.0002069000000000 ] - [ -0.0004999200000000, 0.0006085500000000, -0.0003025500000000 ] - [ 0.0003527400000000, 0.0004903000000000, -0.0006037600000000 ] - [ -0.0000618200000000, 0.0002194200000000, -0.0006025000000000 ] - [ 0.0001370900000000, -0.0003221400000000, -0.0004531400000000 ] - [ 0.0001140200000000, -0.0003042400000000, -0.0004797300000000 ] - [ 0.0013265700000000, 0.0014494600000000, 0.0009747900000000 ] - [ 0.0000324400000000, 0.0003511600000000, 0.0008110800000000 ] - [ 0.0001510200000000, -0.0001971900000000, 0.0008919800000000 ] - [ 0.0000926800000000, -0.0001960200000000, 0.0008078200000000 ] - [ 0.0005468500000000, 0.0018733000000000, 0.0019502500000000 ] - [ -0.0003501700000000, 0.0005629700000000, 0.0004536500000000 ] - [ -0.0020535600000000, -0.0001543400000000, -0.0025513600000000 ] - [ -0.0002902800000000, -0.0005660200000000, 0.0002838800000000 ] - [ 0.0008834400000000, -0.0053574300000000, -0.0015215500000000 ] - [ 0.0002628200000000, -0.0001070000000000, -0.0000257600000000 ] - [ -0.0000337400000000, 0.0001016600000000, 0.0000388900000000 ] - [ 0.0002637800000000, 0.0001193400000000, 0.0000382500000000 ] - [ -0.0005374900000000, 0.0002150400000000, 0.0022500300000000 ] - [ 0.0003010000000000, 0.0000482500000000, 0.0005411600000000 ] - [ -0.0005799700000000, 0.0001632500000000, -0.0000169800000000 ] - [ -0.0002303000000000, 0.0001481000000000, -0.0001619800000000 ] - [ 0.0016663800000000, 0.0002651000000000, -0.0002086600000000 ] - [ 0.0003735300000000, -0.0000300800000000, -0.0003156700000000 ] - [ 0.0003967200000000, -0.0005943700000000, -0.0003762600000000 ] - [ 0.0002566400000000, -0.0006283700000000, -0.0005022300000000 ] - [ -0.0006176300000000, 0.0002248600000000, 0.0012559100000000 ] - [ 0.0002875300000000, -0.0001778400000000, 0.0006043500000000 ] - [ 0.0003323400000000, 0.0003524200000000, 0.0001147600000000 ] - [ 0.0002741700000000, 0.0002136200000000, 0.0005850100000000 ] - [ -0.0002308100000000, 0.0014499700000000, -0.0002399000000000 ] - [ 0.0001149700000000, -0.0000350800000000, 0.0003186000000000 ] - [ 0.0000941800000000, 0.0000023200000000, 0.0002709500000000 ] - [ 0.0000840300000000, 0.0000308400000000, 0.0002414900000000 ] - [ 0.0036299400000000, -0.0083170700000000, 0.0065303300000000 ] - [ -0.0001433300000000, 0.0005911800000000, -0.0004399200000000 ] - [ -0.0001226200000000, -0.0004648700000000, -0.0004194800000000 ] - [ -0.0001253100000000, -0.0005345700000000, -0.0004783700000000 ] - [ -0.0006416000000000, 0.0000849800000000, -0.0004516900000000 ] - [ -0.0006313200000000, -0.0002599900000000, 0.0003038900000000 ] - [ -0.0017792000000000, -0.0029781200000000, -0.0030546600000000 ] - [ -0.0002943100000000, -0.0005343700000000, -0.0001690700000000 ] - [ -0.0006554200000000, -0.0008333300000000, 0.0005886800000000 ] - [ -0.0007474200000000, 0.0002600500000000, 0.0003498500000000 ] - [ -0.0003312200000000, 0.0011600100000000, 0.0005931400000000 ] - [ -0.0004521100000000, 0.0005417000000000, -0.0000775100000000 ] - [ 0.0058189500000000, -0.0083179200000000, -0.0023830400000000 ] - [ -0.0002375600000000, -0.0000657900000000, 0.0008737400000000 ] - [ -0.0004561300000000, -0.0003385800000000, 0.0014618500000000 ] - [ -0.0002796600000000, 0.0000829500000000, 0.0007536500000000 ] - [ 0.0001748300000000, -0.0000995300000000, -0.0007062900000000 ] - [ 0.0004331400000000, -0.0000137700000000, -0.0005487900000000 ] - [ -0.0000101700000000, 0.0000640800000000, -0.0010899500000000 ] - [ 0.0002914100000000, 0.0001756500000000, -0.0010039500000000 ] - [ 0.0000034800000000, 0.0001070600000000, 0.0003340400000000 ] - [ 0.0003010200000000, -0.0000636900000000, 0.0001323100000000 ] - [ 0.0004076100000000, -0.0006232000000000, -0.0003155400000000 ] - [ 0.0014518800000000, -0.0000205000000000, -0.0007322500000000 ] - [ 0.0004208900000000, 0.0003812300000000, 0.0000240900000000 ] - [ 0.0004168900000000, 0.0004364200000000, 0.0001255900000000 ] - [ 0.0007153300000000, 0.0004536600000000, -0.0004338900000000 ] - [ 0.0006690200000000, 0.0004518600000000, -0.0003302600000000 ] - [ -0.0002879000000000, 0.0012604500000000, -0.0000470800000000 ] - [ 0.0000552500000000, 0.0007830800000000, 0.0002771400000000 ] - [ 0.0001953300000000, -0.0010604300000000, 0.0003305400000000 ] - [ 0.0000315900000000, -0.0007474500000000, 0.0004689800000000 ] - [ -0.0006055200000000, -0.0008608500000000, -0.0006193300000000 ] - [ -0.0000830500000000, -0.0003543600000000, -0.0004313300000000 ] - [ 0.0000251500000000, 0.0003492300000000, -0.0002963200000000 ] - [ -0.0001587700000000, 0.0001935100000000, -0.0002398200000000 ] - [ 0.0007220800000000, -0.0025302500000000, -0.0022577000000000 ] - [ -0.0004229000000000, -0.0002488500000000, -0.0005936500000000 ] - [ -0.0000924600000000, 0.0002077500000000, -0.0004968400000000 ] - [ -0.0002386800000000, 0.0002011200000000, -0.0005703200000000 ]- atom: 13 displacement: [ -0.0007714822112317, 0.0000000000000000, 0.0099701963470011 ] forces: - [ -0.0003764000000000, -0.0001630700000000, -0.0008031700000000 ] - [ -0.0000713800000000, 0.0001304300000000, -0.0007850600000000 ] - [ 0.0001281200000000, -0.0003321400000000, -0.0003742700000000 ] - [ -0.0001211700000000, -0.0001832500000000, -0.0007488300000000 ] - [ 0.0002189100000000, -0.0005129400000000, -0.0012153000000000 ] - [ -0.0001141600000000, 0.0002148200000000, 0.0004407900000000 ] - [ -0.0002530500000000, -0.0001472900000000, 0.0010204800000000 ] - [ -0.0001220100000000, -0.0002514800000000, 0.0005072400000000 ] - [ -0.0006734700000000, 0.0004953300000000, 0.0009756700000000 ] - [ 0.0005136200000000, -0.0005214000000000, 0.0003170600000000 ] - [ 0.0006538700000000, 0.0006856200000000, 0.0004757100000000 ] - [ 0.0004562600000000, 0.0006002600000000, 0.0003381300000000 ] - [ -0.0031982300000000, -0.0022404400000000, -0.0367485500000000 ] - [ -0.0002751800000000, -0.0004703600000000, -0.0002152700000000 ] - [ -0.0004555200000000, 0.0002915200000000, 0.0003348300000000 ] - [ -0.0002880500000000, 0.0005055800000000, -0.0001398900000000 ] - [ 0.0001286100000000, -0.0001075100000000, 0.0010495000000000 ] - [ 0.0000643600000000, 0.0000389300000000, 0.0008320800000000 ] - [ -0.0003227200000000, -0.0005171000000000, 0.0014015400000000 ] - [ 0.0001072200000000, -0.0000447100000000, 0.0008441600000000 ] - [ -0.0003388400000000, 0.0003662100000000, 0.0006501400000000 ] - [ -0.0003564900000000, -0.0002624700000000, 0.0005314000000000 ] - [ -0.0003396500000000, 0.0005766100000000, 0.0016264800000000 ] - [ -0.0003937600000000, 0.0002341700000000, 0.0005093200000000 ] - [ 0.0002631200000000, -0.0001479800000000, -0.0004610700000000 ] - [ 0.0015443300000000, 0.0004445600000000, -0.0003020500000000 ] - [ 0.0004130600000000, 0.0002184600000000, -0.0005130700000000 ] - [ 0.0001479500000000, 0.0003555300000000, -0.0003954900000000 ] - [ -0.0000790100000000, 0.0001284300000000, -0.0008926700000000 ] - [ -0.0007332700000000, -0.0001856300000000, -0.0002927900000000 ] - [ -0.0001405400000000, -0.0000545600000000, -0.0007599000000000 ] - [ 0.0002878800000000, -0.0003221100000000, -0.0007377800000000 ] - [ 0.0003103600000000, -0.0006352300000000, 0.0000638000000000 ] - [ 0.0003726200000000, -0.0004997900000000, -0.0001114700000000 ] - [ 0.0002653600000000, 0.0004721800000000, 0.0002702400000000 ] - [ 0.0002148500000000, 0.0005355400000000, 0.0004252300000000 ] - [ -0.0002304600000000, -0.0009771900000000, -0.0004979800000000 ] - [ -0.0006809500000000, -0.0006222000000000, -0.0003132200000000 ] - [ -0.0005707500000000, 0.0005617500000000, -0.0001572000000000 ] - [ -0.0003094700000000, 0.0005681300000000, -0.0002870100000000 ] - [ 0.0001239200000000, 0.0004376300000000, -0.0006057900000000 ] - [ 0.0002663900000000, 0.0003040700000000, -0.0008018500000000 ] - [ 0.0000941600000000, -0.0002194300000000, -0.0004006600000000 ] - [ 0.0000731800000000, -0.0002753800000000, -0.0002930800000000 ] - [ 0.0015116800000000, 0.0003431200000000, 0.0005849300000000 ] - [ -0.0000646500000000, 0.0002751400000000, 0.0007937500000000 ] - [ -0.0000144800000000, -0.0001987300000000, 0.0009138100000000 ] - [ 0.0001818900000000, -0.0001562100000000, 0.0007870100000000 ] - [ -0.0022068700000000, -0.0037909600000000, 0.0030766600000000 ] - [ -0.0002193600000000, 0.0005634100000000, 0.0003810400000000 ] - [ 0.0006354100000000, 0.0006697400000000, 0.0042982900000000 ] - [ -0.0003391900000000, -0.0005772600000000, 0.0003371500000000 ] - [ -0.0002416300000000, -0.0012678300000000, -0.0035355300000000 ] - [ 0.0002254300000000, -0.0001147000000000, -0.0001494800000000 ] - [ 0.0004013000000000, 0.0004273500000000, 0.0007631300000000 ] - [ 0.0002978300000000, 0.0001242300000000, 0.0001256800000000 ] - [ -0.0007832000000000, -0.0005009600000000, -0.0000104800000000 ] - [ -0.0001655500000000, -0.0003704200000000, -0.0008574600000000 ] - [ -0.0003182800000000, 0.0001570900000000, 0.0003363500000000 ] - [ -0.0000996700000000, 0.0001134800000000, 0.0005133700000000 ] - [ 0.0012700700000000, 0.0004109000000000, -0.0003403500000000 ] - [ 0.0001932900000000, 0.0003982700000000, -0.0000885600000000 ] - [ 0.0001679800000000, -0.0005114600000000, -0.0003517300000000 ] - [ 0.0006599300000000, -0.0003777900000000, -0.0003102900000000 ] - [ -0.0002463600000000, -0.0004199900000000, 0.0014140200000000 ] - [ 0.0002207800000000, -0.0002107300000000, 0.0007469400000000 ] - [ 0.0004368100000000, 0.0001593200000000, 0.0001173000000000 ] - [ 0.0002541200000000, 0.0001958500000000, 0.0004366700000000 ] - [ -0.0001405700000000, 0.0005584400000000, 0.0005454200000000 ] - [ 0.0001803500000000, -0.0000908300000000, 0.0003511000000000 ] - [ 0.0001891900000000, -0.0005117000000000, -0.0006089000000000 ] - [ 0.0000034500000000, 0.0000658700000000, 0.0002281600000000 ] - [ 0.0031681100000000, -0.0049064200000000, 0.0087857200000000 ] - [ -0.0000390000000000, 0.0006182200000000, -0.0003776600000000 ] - [ -0.0000977300000000, -0.0004010700000000, -0.0007871800000000 ] - [ -0.0002096800000000, -0.0005814200000000, -0.0004988500000000 ] - [ -0.0010156400000000, 0.0010743300000000, 0.0006348000000000 ] - [ -0.0006853600000000, -0.0003067900000000, 0.0003752600000000 ] - [ 0.0039770800000000, 0.0039649400000000, 0.0175289900000000 ] - [ -0.0003965100000000, -0.0004790800000000, -0.0000666200000000 ] - [ -0.0006251000000000, 0.0006282200000000, -0.0004351300000000 ] - [ -0.0007485500000000, 0.0003177300000000, 0.0003144800000000 ] - [ -0.0001476700000000, 0.0001338600000000, -0.0007383300000000 ] - [ -0.0004376200000000, 0.0004810000000000, -0.0001202500000000 ] - [ -0.0050264600000000, 0.0043154600000000, 0.0053680400000000 ] - [ -0.0002703000000000, -0.0000779300000000, 0.0008518800000000 ] - [ -0.0005066000000000, 0.0005701300000000, -0.0005278200000000 ] - [ -0.0003026700000000, 0.0000874200000000, 0.0007384400000000 ] - [ 0.0002915800000000, -0.0001102400000000, -0.0007430000000000 ] - [ -0.0000436700000000, -0.0002920600000000, -0.0006493200000000 ] - [ 0.0000723800000000, 0.0000637200000000, -0.0010156700000000 ] - [ 0.0003777100000000, 0.0000983500000000, -0.0010405400000000 ] - [ 0.0001475900000000, -0.0000925400000000, 0.0003342900000000 ] - [ 0.0006896300000000, -0.0006900900000000, 0.0001135700000000 ] - [ 0.0005396500000000, -0.0004852800000000, -0.0002220300000000 ] - [ 0.0012319100000000, -0.0000084500000000, -0.0003362100000000 ] - [ 0.0004856000000000, 0.0004334400000000, -0.0000138900000000 ] - [ -0.0000248400000000, 0.0001174500000000, -0.0003020000000000 ] - [ 0.0007547800000000, 0.0003005800000000, -0.0004259100000000 ] - [ 0.0005889400000000, 0.0003332200000000, -0.0005090400000000 ] - [ 0.0005657200000000, 0.0008148300000000, 0.0006791200000000 ] - [ 0.0000048300000000, 0.0005519100000000, 0.0006190200000000 ] - [ -0.0001520200000000, -0.0007881900000000, 0.0002303500000000 ] - [ 0.0002183100000000, -0.0007598500000000, 0.0001265000000000 ] - [ 0.0005241800000000, -0.0001472300000000, -0.0003889700000000 ] - [ -0.0004076500000000, 0.0000481800000000, -0.0000097800000000 ] - [ -0.0002979700000000, 0.0001536900000000, -0.0003887400000000 ] - [ -0.0000404200000000, 0.0002761500000000, -0.0005431800000000 ] - [ 0.0002953400000000, 0.0006763600000000, 0.0013386800000000 ] - [ -0.0003730800000000, -0.0002054600000000, -0.0003713900000000 ] - [ -0.0000149500000000, 0.0002184000000000, -0.0010869000000000 ] - [ -0.0002632000000000, 0.0002197600000000, -0.0006991200000000 ]- atom: 13 displacement: [ 0.0007714822112317, 0.0000000000000000, -0.0099701963470011 ] forces: - [ 0.0001731100000000, 0.0005132800000000, -0.0007452500000000 ] - [ -0.0001291700000000, 0.0002183400000000, -0.0007640000000000 ] - [ -0.0003301200000000, -0.0000105700000000, -0.0011731200000000 ] - [ -0.0000798300000000, -0.0001636900000000, -0.0008003000000000 ] - [ -0.0004713900000000, 0.0010366300000000, 0.0021586300000000 ] - [ -0.0001379600000000, 0.0002924500000000, 0.0005036400000000 ] - [ 0.0000009500000000, -0.0003587000000000, -0.0000751500000000 ] - [ -0.0001299600000000, -0.0002549700000000, 0.0004382600000000 ] - [ 0.0016150500000000, -0.0016809100000000, -0.0003391500000000 ] - [ 0.0004331500000000, -0.0006691000000000, 0.0003125600000000 ] - [ 0.0002927600000000, 0.0005044200000000, 0.0001539800000000 ] - [ 0.0004910200000000, 0.0005909400000000, 0.0002913000000000 ] - [ 0.0023880600000000, 0.0010350300000000, 0.0357905900000000 ] - [ -0.0003080500000000, -0.0005484900000000, -0.0001305100000000 ] - [ -0.0001277700000000, 0.0007254700000000, -0.0006804400000000 ] - [ -0.0002957500000000, 0.0005121700000000, -0.0002059400000000 ] - [ 0.0000296800000000, 0.0002111800000000, 0.0006112100000000 ] - [ 0.0000932000000000, 0.0000652000000000, 0.0008272600000000 ] - [ 0.0004828400000000, 0.0004071600000000, 0.0002559900000000 ] - [ 0.0000534300000000, -0.0000697300000000, 0.0008154800000000 ] - [ -0.0004179500000000, -0.0008415200000000, 0.0003502700000000 ] - [ -0.0004028000000000, -0.0002145500000000, 0.0004718600000000 ] - [ -0.0004215800000000, -0.0001018100000000, -0.0006286300000000 ] - [ -0.0003655300000000, 0.0002440600000000, 0.0004940600000000 ] - [ 0.0004966000000000, -0.0003269400000000, -0.0005445700000000 ] - [ -0.0007853000000000, -0.0009187400000000, -0.0007002800000000 ] - [ 0.0003461300000000, 0.0002581400000000, -0.0004917900000000 ] - [ 0.0006120700000000, 0.0001219200000000, -0.0006087900000000 ] - [ -0.0000780300000000, -0.0000290000000000, -0.0007684300000000 ] - [ 0.0005807500000000, 0.0002790500000000, -0.0013699900000000 ] - [ -0.0000176100000000, -0.0000500100000000, -0.0009020300000000 ] - [ -0.0004453000000000, 0.0002162600000000, -0.0009225200000000 ] - [ 0.0002706200000000, -0.0003806900000000, 0.0002778400000000 ] - [ 0.0002104900000000, -0.0005174500000000, 0.0004543900000000 ] - [ 0.0003164900000000, 0.0005470700000000, 0.0000724200000000 ] - [ 0.0003683500000000, 0.0004838400000000, -0.0000814600000000 ] - [ -0.0007171200000000, -0.0002142400000000, -0.0001309100000000 ] - [ -0.0002667400000000, -0.0005686700000000, -0.0003181700000000 ] - [ -0.0003765000000000, 0.0006298900000000, -0.0004746000000000 ] - [ -0.0006376700000000, 0.0006228700000000, -0.0003443100000000 ] - [ 0.0001272900000000, 0.0000694000000000, -0.0003421200000000 ] - [ -0.0000149400000000, 0.0002031000000000, -0.0001459700000000 ] - [ 0.0001576800000000, -0.0002870800000000, -0.0005479500000000 ] - [ 0.0001789600000000, -0.0002314000000000, -0.0006545000000000 ] - [ -0.0013106100000000, 0.0000066500000000, 0.0009712900000000 ] - [ 0.0002652000000000, 0.0000726500000000, 0.0007518700000000 ] - [ 0.0002143000000000, -0.0001500000000000, 0.0006326800000000 ] - [ 0.0000189400000000, -0.0001920300000000, 0.0007598100000000 ] - [ 0.0015748400000000, 0.0049540100000000, -0.0023249000000000 ] - [ -0.0004044700000000, 0.0006082900000000, 0.0003427800000000 ] - [ -0.0012553800000000, -0.0018674200000000, -0.0036041900000000 ] - [ -0.0002849400000000, -0.0005939200000000, 0.0003874800000000 ] - [ 0.0007609600000000, 0.0010321400000000, 0.0035244800000000 ] - [ 0.0002891900000000, -0.0001105900000000, 0.0001424700000000 ] - [ 0.0001116600000000, -0.0002019400000000, -0.0007682400000000 ] - [ 0.0002167000000000, 0.0001017000000000, -0.0001320400000000 ] - [ 0.0002650600000000, 0.0002696900000000, 0.0000013200000000 ] - [ -0.0003494900000000, 0.0001444500000000, 0.0008588900000000 ] - [ -0.0001978800000000, 0.0000688000000000, -0.0003311100000000 ] - [ -0.0004146700000000, 0.0001124400000000, -0.0005082500000000 ] - [ -0.0006439700000000, 0.0007603400000000, -0.0003856200000000 ] - [ 0.0004315800000000, 0.0007729200000000, -0.0006371800000000 ] - [ 0.0004560700000000, -0.0006597900000000, -0.0003740600000000 ] - [ -0.0000354700000000, -0.0007938600000000, -0.0004148000000000 ] - [ 0.0007323700000000, -0.0000038800000000, -0.0002523700000000 ] - [ 0.0002624800000000, -0.0002111000000000, 0.0004156000000000 ] - [ 0.0000473500000000, 0.0002636300000000, 0.0010430400000000 ] - [ 0.0002299000000000, 0.0002262000000000, 0.0007259400000000 ] - [ 0.0003024200000000, -0.0007924200000000, 0.0000458400000000 ] - [ -0.0000184300000000, -0.0001464700000000, 0.0002390900000000 ] - [ -0.0000269800000000, 0.0007497200000000, 0.0011992100000000 ] - [ 0.0001584100000000, 0.0001718200000000, 0.0003616900000000 ] - [ -0.0035255200000000, 0.0063534400000000, -0.0097561800000000 ] - [ -0.0002327400000000, 0.0006195400000000, -0.0004895700000000 ] - [ -0.0001732500000000, -0.0008349500000000, -0.0000816400000000 ] - [ -0.0000616600000000, -0.0006556600000000, -0.0003685100000000 ] - [ -0.0004038400000000, -0.0017427500000000, 0.0000482600000000 ] - [ -0.0007356600000000, -0.0003651000000000, 0.0003092200000000 ] - [ -0.0046308300000000, -0.0047471700000000, -0.0168132500000000 ] - [ -0.0004439900000000, -0.0004563400000000, -0.0001190000000000 ] - [ -0.0007952100000000, 0.0000433300000000, 0.0011182500000000 ] - [ -0.0006720200000000, 0.0003542300000000, 0.0003695400000000 ] - [ -0.0006981600000000, 0.0008006400000000, 0.0005473900000000 ] - [ -0.0004025400000000, 0.0004551800000000, -0.0000663200000000 ] - [ 0.0046011300000000, -0.0046492300000000, -0.0038234500000000 ] - [ -0.0002898400000000, -0.0000941700000000, 0.0007723900000000 ] - [ -0.0000523800000000, -0.0004040100000000, 0.0021570700000000 ] - [ -0.0002569400000000, 0.0000857000000000, 0.0008864100000000 ] - [ 0.0002683500000000, -0.0000628500000000, -0.0008838900000000 ] - [ 0.0006012600000000, 0.0001187900000000, -0.0009781700000000 ] - [ 0.0004869200000000, 0.0001099400000000, -0.0006123900000000 ] - [ 0.0001808700000000, 0.0000755200000000, -0.0005870400000000 ] - [ 0.0006911700000000, -0.0008426900000000, -0.0001494900000000 ] - [ 0.0001500000000000, -0.0002460000000000, 0.0000710300000000 ] - [ 0.0008809200000000, -0.0001858700000000, -0.0004626100000000 ] - [ 0.0001876100000000, -0.0006629700000000, -0.0003508000000000 ] - [ 0.0003541600000000, 0.0005028000000000, 0.0001980500000000 ] - [ 0.0008652500000000, 0.0008189000000000, 0.0004864000000000 ] - [ 0.0006658500000000, 0.0003708100000000, -0.0002585300000000 ] - [ 0.0008311800000000, 0.0003386700000000, -0.0001767600000000 ] - [ -0.0002913000000000, 0.0004210100000000, 0.0001898900000000 ] - [ 0.0002655000000000, 0.0006858500000000, 0.0002468800000000 ] - [ 0.0004234700000000, -0.0004499400000000, 0.0006344300000000 ] - [ 0.0000517900000000, -0.0004772100000000, 0.0007385300000000 ] - [ -0.0006809200000000, -0.0000858100000000, -0.0002018500000000 ] - [ 0.0002426500000000, -0.0002851500000000, -0.0005822100000000 ] - [ 0.0001359400000000, 0.0000843200000000, -0.0002040100000000 ] - [ -0.0001228700000000, -0.0000388600000000, -0.0000495500000000 ] - [ -0.0007698500000000, -0.0010834200000000, -0.0024822700000000 ] - [ -0.0001118600000000, -0.0002159200000000, -0.0007922400000000 ] - [ -0.0004675700000000, 0.0002036900000000, -0.0000780200000000 ] - [ -0.0002217800000000, 0.0002020500000000, -0.0004655900000000 ]- atom: 17 displacement: [ 0.0099872533903921, 0.0000000000000000, -0.0005047471803797 ] forces: - [ 0.0037061600000000, -0.0016998300000000, 0.0014059900000000 ] - [ 0.0001154600000000, 0.0002141400000000, -0.0008299600000000 ] - [ -0.0002151100000000, 0.0000856200000000, -0.0009739000000000 ] - [ -0.0000039900000000, -0.0002770600000000, -0.0006919000000000 ] - [ 0.0000593900000000, 0.0002489500000000, 0.0006793400000000 ] - [ 0.0000031100000000, 0.0002523700000000, 0.0004706200000000 ] - [ -0.0003915600000000, -0.0000323600000000, 0.0003629500000000 ] - [ 0.0000612900000000, -0.0003101800000000, 0.0005158700000000 ] - [ 0.0006240300000000, -0.0000361900000000, 0.0006565300000000 ] - [ 0.0007015800000000, -0.0006700300000000, 0.0002444100000000 ] - [ 0.0004069500000000, 0.0004061100000000, 0.0000205200000000 ] - [ 0.0006225900000000, 0.0006684700000000, 0.0004107100000000 ] - [ -0.0003861900000000, -0.0005652600000000, -0.0001409900000000 ] - [ -0.0001458200000000, -0.0005067200000000, -0.0001760700000000 ] - [ -0.0009873200000000, -0.0004681700000000, -0.0006587000000000 ] - [ -0.0000773800000000, 0.0005556800000000, -0.0001287700000000 ] - [ -0.0274389000000000, 0.0007737100000000, 0.0003773500000000 ] - [ 0.0004693000000000, -0.0000107800000000, 0.0008133800000000 ] - [ -0.0002648800000000, -0.0001108400000000, 0.0007337300000000 ] - [ 0.0003333800000000, -0.0000015500000000, 0.0008453500000000 ] - [ -0.0005853000000000, -0.0001473200000000, 0.0004490200000000 ] - [ -0.0002050200000000, -0.0002627300000000, 0.0005269700000000 ] - [ -0.0011557900000000, 0.0002249600000000, 0.0004663600000000 ] - [ -0.0000627000000000, 0.0002571500000000, 0.0005159900000000 ] - [ 0.0005652800000000, -0.0001630000000000, -0.0004303600000000 ] - [ -0.0000147200000000, -0.0011334700000000, -0.0003969700000000 ] - [ 0.0005453000000000, 0.0001978200000000, -0.0004823300000000 ] - [ 0.0000933800000000, 0.0002962000000000, -0.0004363800000000 ] - [ 0.0001431800000000, 0.0001065500000000, -0.0008124600000000 ] - [ -0.0004123400000000, -0.0000482100000000, -0.0008702600000000 ] - [ 0.0002081000000000, -0.0001465100000000, -0.0007891700000000 ] - [ 0.0000932600000000, 0.0041222800000000, -0.0012533600000000 ] - [ 0.0004810400000000, -0.0005658600000000, 0.0001902000000000 ] - [ 0.0007979300000000, -0.0000902300000000, -0.0004751600000000 ] - [ 0.0006018600000000, 0.0006229800000000, 0.0001307900000000 ] - [ 0.0001983100000000, 0.0005082000000000, 0.0005274300000000 ] - [ -0.0004601000000000, -0.0005867000000000, -0.0003221300000000 ] - [ -0.0004685600000000, -0.0006437600000000, -0.0002555700000000 ] - [ -0.0002182000000000, 0.0007061300000000, -0.0002052400000000 ] - [ -0.0002727200000000, 0.0004715200000000, -0.0003650400000000 ] - [ 0.0003278500000000, 0.0003490600000000, -0.0004989200000000 ] - [ 0.0007616200000000, -0.0000079300000000, -0.0009735700000000 ] - [ 0.0004502900000000, -0.0003517800000000, -0.0005678600000000 ] - [ 0.0002015800000000, -0.0006095400000000, 0.0005387000000000 ] - [ 0.0001065600000000, 0.0001692000000000, 0.0007759400000000 ] - [ 0.0001323500000000, 0.0002128000000000, 0.0007914000000000 ] - [ 0.0008774800000000, -0.0007069000000000, 0.0010701400000000 ] - [ 0.0008854900000000, 0.0001810100000000, 0.0004666600000000 ] - [ 0.0003478100000000, -0.0007145000000000, 0.0002099100000000 ] - [ 0.0001625500000000, 0.0006022600000000, 0.0004216200000000 ] - [ -0.0001603800000000, -0.0006281100000000, 0.0001744900000000 ] - [ -0.0000610500000000, -0.0006081800000000, 0.0005062800000000 ] - [ -0.0010809600000000, 0.0000320900000000, 0.0004997100000000 ] - [ 0.0006623300000000, -0.0001174000000000, -0.0001967400000000 ] - [ -0.0004974200000000, 0.0039910300000000, -0.0035147000000000 ] - [ 0.0008943900000000, 0.0001201700000000, 0.0001165100000000 ] - [ -0.0002562400000000, -0.0002130500000000, 0.0002333900000000 ] - [ -0.0008520600000000, 0.0000802200000000, -0.0007620900000000 ] - [ 0.0002070600000000, 0.0001534900000000, -0.0001940900000000 ] - [ -0.0004257500000000, 0.0006393400000000, 0.0004833300000000 ] - [ 0.0005476800000000, 0.0005543100000000, -0.0002434200000000 ] - [ 0.0005263200000000, 0.0007111800000000, -0.0004606600000000 ] - [ 0.0016299200000000, -0.0002104500000000, -0.0000007800000000 ] - [ 0.0062079000000000, -0.0046823900000000, 0.0009278000000000 ] - [ -0.0000269000000000, -0.0006302300000000, -0.0006758200000000 ] - [ -0.0003524100000000, -0.0002027200000000, 0.0009747000000000 ] - [ -0.0005382900000000, -0.0003229900000000, 0.0015237800000000 ] - [ -0.0003342800000000, 0.0003870800000000, 0.0002993700000000 ] - [ 0.0002592700000000, -0.0002016200000000, 0.0003227500000000 ] - [ -0.0000562500000000, -0.0001136400000000, 0.0002871600000000 ] - [ -0.0000750400000000, -0.0009664400000000, 0.0002207200000000 ] - [ -0.0004829900000000, 0.0002604600000000, 0.0001518200000000 ] - [ 0.0000740700000000, 0.0006499100000000, -0.0003763400000000 ] - [ -0.0002776000000000, 0.0006008800000000, -0.0004510200000000 ] - [ 0.0083996700000000, -0.0032411200000000, -0.0021361900000000 ] - [ -0.0007289800000000, -0.0006054000000000, -0.0004634300000000 ] - [ 0.0008818000000000, -0.0000803100000000, 0.0010087900000000 ] - [ -0.0010256800000000, -0.0002909500000000, 0.0003558000000000 ] - [ 0.0001329800000000, 0.0001458500000000, -0.0001998600000000 ] - [ -0.0007408100000000, -0.0005427800000000, -0.0000577200000000 ] - [ -0.0005139500000000, 0.0002133000000000, 0.0004877400000000 ] - [ -0.0009433900000000, 0.0003553400000000, 0.0002724000000000 ] - [ -0.0001569800000000, 0.0006583200000000, 0.0002304400000000 ] - [ -0.0006653800000000, 0.0004781000000000, -0.0001441500000000 ] - [ -0.0000345700000000, -0.0000193400000000, 0.0009178700000000 ] - [ -0.0005621800000000, -0.0000873500000000, 0.0006935700000000 ] - [ 0.0004522800000000, 0.0002013000000000, 0.0009224800000000 ] - [ -0.0006830700000000, 0.0001052900000000, 0.0007139800000000 ] - [ -0.0002433800000000, -0.0000720600000000, -0.0011413100000000 ] - [ 0.0027059300000000, -0.0017589900000000, -0.0036090300000000 ] - [ -0.0001037300000000, 0.0000818200000000, -0.0007933900000000 ] - [ 0.0006389300000000, 0.0001608500000000, -0.0008966400000000 ] - [ 0.0001801100000000, -0.0003924600000000, 0.0000363400000000 ] - [ 0.0005490300000000, -0.0005282100000000, 0.0003183400000000 ] - [ 0.0004881800000000, -0.0003929000000000, -0.0004183500000000 ] - [ 0.0007476400000000, -0.0003043000000000, -0.0000405300000000 ] - [ -0.0001910900000000, 0.0001209700000000, 0.0002021200000000 ] - [ 0.0009107500000000, 0.0014639300000000, -0.0004826400000000 ] - [ 0.0001229700000000, 0.0004285700000000, -0.0004197300000000 ] - [ 0.0062064000000000, 0.0034555800000000, 0.0043073100000000 ] - [ -0.0001761000000000, 0.0010763500000000, 0.0001239700000000 ] - [ 0.0000057100000000, -0.0001117500000000, 0.0011339900000000 ] - [ -0.0000180300000000, -0.0007227600000000, 0.0005544000000000 ] - [ 0.0000905100000000, -0.0006861300000000, 0.0001741500000000 ] - [ -0.0002099100000000, -0.0003008400000000, -0.0004185000000000 ] - [ -0.0002417100000000, 0.0004210200000000, -0.0000498000000000 ] - [ -0.0002000300000000, 0.0001915200000000, -0.0001759700000000 ] - [ -0.0001473300000000, -0.0000731000000000, -0.0007550600000000 ] - [ -0.0001431900000000, -0.0002226600000000, -0.0005860000000000 ] - [ -0.0004507900000000, -0.0002584300000000, -0.0003751400000000 ] - [ -0.0006990600000000, 0.0004613900000000, -0.0002767900000000 ] - [ -0.0004827200000000, 0.0000236300000000, -0.0007423800000000 ]- atom: 17 displacement: [ -0.0099872533903921, 0.0000000000000000, 0.0005047471803797 ] forces: - [ -0.0039660200000000, 0.0020781800000000, -0.0029857600000000 ] - [ -0.0003165400000000, 0.0001329600000000, -0.0007174400000000 ] - [ 0.0000129700000000, -0.0004333600000000, -0.0005734700000000 ] - [ -0.0001980700000000, -0.0000699900000000, -0.0008554900000000 ] - [ -0.0003132900000000, 0.0002584100000000, 0.0002689800000000 ] - [ -0.0002560200000000, 0.0002540400000000, 0.0004752300000000 ] - [ 0.0001392300000000, -0.0004760700000000, 0.0005818200000000 ] - [ -0.0003144800000000, -0.0001971400000000, 0.0004298800000000 ] - [ 0.0003228300000000, -0.0011585000000000, -0.0000265600000000 ] - [ 0.0002444700000000, -0.0005206600000000, 0.0003862200000000 ] - [ 0.0005404600000000, 0.0007834800000000, 0.0006100800000000 ] - [ 0.0003253500000000, 0.0005209000000000, 0.0002198300000000 ] - [ -0.0001974000000000, -0.0004549700000000, -0.0002028200000000 ] - [ -0.0004376200000000, -0.0005128600000000, -0.0001689300000000 ] - [ 0.0004047200000000, 0.0014869900000000, 0.0003119700000000 ] - [ -0.0005064800000000, 0.0004614300000000, -0.0002161300000000 ] - [ 0.0277921900000000, -0.0007125400000000, 0.0008840600000000 ] - [ -0.0003122400000000, 0.0001139100000000, 0.0008470800000000 ] - [ 0.0004206300000000, 0.0000118200000000, 0.0009259600000000 ] - [ -0.0001780000000000, -0.0000968900000000, 0.0008142700000000 ] - [ -0.0001747300000000, -0.0003290100000000, 0.0005551900000000 ] - [ -0.0005553300000000, -0.0002138500000000, 0.0004769400000000 ] - [ 0.0003954500000000, 0.0002521600000000, 0.0005364800000000 ] - [ -0.0006974600000000, 0.0002186000000000, 0.0004883400000000 ] - [ 0.0001934600000000, -0.0003126700000000, -0.0005750800000000 ] - [ 0.0007734100000000, 0.0006564000000000, -0.0006068500000000 ] - [ 0.0002133200000000, 0.0002779000000000, -0.0005223900000000 ] - [ 0.0006650700000000, 0.0001796800000000, -0.0005679400000000 ] - [ -0.0003051400000000, 0.0000038000000000, -0.0008485300000000 ] - [ 0.0002517000000000, 0.0001559300000000, -0.0007905600000000 ] - [ -0.0003667100000000, 0.0000441400000000, -0.0008709200000000 ] - [ -0.0002671800000000, -0.0041995400000000, -0.0004005900000000 ] - [ 0.0000994700000000, -0.0004512200000000, 0.0001545400000000 ] - [ -0.0002134100000000, -0.0009295100000000, 0.0008158500000000 ] - [ -0.0000201800000000, 0.0003959200000000, 0.0002134600000000 ] - [ 0.0003838200000000, 0.0005106100000000, -0.0001831000000000 ] - [ -0.0004879300000000, -0.0006043900000000, -0.0003089700000000 ] - [ -0.0004791300000000, -0.0005479800000000, -0.0003758700000000 ] - [ -0.0007305400000000, 0.0004833100000000, -0.0004260700000000 ] - [ -0.0006754500000000, 0.0007181800000000, -0.0002659600000000 ] - [ -0.0000785200000000, 0.0001564600000000, -0.0004456900000000 ] - [ -0.0005085000000000, 0.0005165100000000, 0.0000308900000000 ] - [ -0.0001988900000000, -0.0001551200000000, -0.0003778200000000 ] - [ 0.0000549400000000, 0.0001030900000000, -0.0014871800000000 ] - [ 0.0000934700000000, 0.0001779200000000, 0.0007712900000000 ] - [ 0.0000673200000000, 0.0001344400000000, 0.0007559000000000 ] - [ -0.0006762800000000, 0.0003546100000000, 0.0004801700000000 ] - [ -0.0006829000000000, -0.0005321300000000, 0.0010854600000000 ] - [ -0.0009686900000000, 0.0018778000000000, 0.0005038200000000 ] - [ -0.0007892900000000, 0.0005691300000000, 0.0003027200000000 ] - [ -0.0004680700000000, -0.0005433600000000, 0.0005496900000000 ] - [ -0.0005665000000000, -0.0005638600000000, 0.0002173800000000 ] - [ 0.0016033600000000, -0.0002564200000000, -0.0005076800000000 ] - [ -0.0001472600000000, -0.0001077900000000, 0.0001915800000000 ] - [ 0.0010165000000000, -0.0037747200000000, 0.0035154600000000 ] - [ -0.0003809800000000, 0.0001059900000000, -0.0001221500000000 ] - [ -0.0002580900000000, -0.0000123000000000, -0.0002293300000000 ] - [ 0.0003348500000000, -0.0003009800000000, 0.0007654400000000 ] - [ -0.0007227400000000, 0.0000713100000000, 0.0001987000000000 ] - [ -0.0000902600000000, -0.0004150500000000, -0.0004789800000000 ] - [ 0.0000773200000000, 0.0006171700000000, -0.0004832500000000 ] - [ 0.0001006900000000, 0.0004602000000000, -0.0002632100000000 ] - [ -0.0010034100000000, -0.0009581000000000, -0.0007219400000000 ] - [ -0.0055195300000000, 0.0034731600000000, -0.0016358100000000 ] - [ 0.0005142800000000, 0.0002134600000000, 0.0018514500000000 ] - [ 0.0008356400000000, -0.0002189500000000, 0.0001879900000000 ] - [ 0.0010187400000000, 0.0007432900000000, -0.0003585600000000 ] - [ 0.0008174200000000, 0.0000327200000000, 0.0008666300000000 ] - [ -0.0000978900000000, -0.0000367900000000, 0.0002669400000000 ] - [ 0.0002175300000000, -0.0001229000000000, 0.0003024300000000 ] - [ 0.0002370500000000, 0.0012072400000000, 0.0003691300000000 ] - [ 0.0006438800000000, -0.0000239000000000, 0.0004372500000000 ] - [ -0.0003469500000000, 0.0005877500000000, -0.0004910200000000 ] - [ 0.0000050100000000, 0.0006356200000000, -0.0004166000000000 ] - [ -0.0090780200000000, 0.0021000900000000, 0.0015229200000000 ] - [ 0.0004591700000000, -0.0006321300000000, -0.0004049500000000 ] - [ -0.0023067600000000, -0.0006292000000000, -0.0002803600000000 ] - [ -0.0003959500000000, -0.0003817100000000, 0.0003284500000000 ] - [ -0.0009723000000000, -0.0010750300000000, 0.0000147800000000 ] - [ -0.0000995600000000, -0.0003923700000000, -0.0001268300000000 ] - [ -0.0009071700000000, 0.0004594400000000, 0.0001969400000000 ] - [ -0.0004777800000000, 0.0003166400000000, 0.0004124600000000 ] - [ -0.0006827300000000, 0.0002746500000000, -0.0004162900000000 ] - [ -0.0001747600000000, 0.0004562800000000, -0.0000405200000000 ] - [ -0.0005254200000000, -0.0001540400000000, 0.0007053500000000 ] - [ 0.0000017700000000, -0.0000862400000000, 0.0009308700000000 ] - [ -0.0010111500000000, -0.0000247900000000, 0.0007046900000000 ] - [ 0.0001226400000000, 0.0000678900000000, 0.0009101000000000 ] - [ 0.0008017800000000, -0.0001013300000000, -0.0004844000000000 ] - [ -0.0020691000000000, 0.0014922000000000, 0.0018877400000000 ] - [ 0.0006623900000000, 0.0000912500000000, -0.0008307800000000 ] - [ -0.0000816300000000, 0.0000126300000000, -0.0007295100000000 ] - [ 0.0006585800000000, -0.0005426800000000, 0.0001488200000000 ] - [ 0.0002889100000000, -0.0004067400000000, -0.0001334600000000 ] - [ 0.0009318000000000, -0.0002796000000000, -0.0002663300000000 ] - [ 0.0006712200000000, -0.0003685800000000, -0.0006447300000000 ] - [ 0.0010294000000000, 0.0008129600000000, -0.0000174300000000 ] - [ -0.0000691900000000, -0.0005286900000000, 0.0006663800000000 ] - [ 0.0012954600000000, 0.0002424000000000, -0.0002663700000000 ] - [ -0.0045711800000000, -0.0027066600000000, -0.0047717500000000 ] - [ 0.0004476600000000, 0.0001582600000000, 0.0007435100000000 ] - [ 0.0002614500000000, 0.0013434900000000, -0.0002629200000000 ] - [ 0.0002880400000000, -0.0005145700000000, 0.0003127500000000 ] - [ 0.0001792600000000, -0.0005511400000000, 0.0006932100000000 ] - [ 0.0000457200000000, 0.0000652100000000, -0.0001716600000000 ] - [ 0.0000778400000000, -0.0006617500000000, -0.0005420200000000 ] - [ 0.0000366300000000, 0.0000448300000000, -0.0004139800000000 ] - [ -0.0000168200000000, 0.0003093000000000, 0.0001655800000000 ] - [ -0.0003430900000000, -0.0001985800000000, -0.0005795000000000 ] - [ -0.0000336300000000, -0.0001642200000000, -0.0007887600000000 ] - [ 0.0002149400000000, -0.0000388800000000, -0.0008872500000000 ] - [ -0.0000008400000000, 0.0003982700000000, -0.0004225800000000 ]- atom: 17 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0011562200000000, -0.0009009900000000, -0.0007207000000000 ] - [ -0.0000928800000000, 0.0000322800000000, -0.0007778100000000 ] - [ -0.0000827300000000, -0.0001818900000000, -0.0007825000000000 ] - [ -0.0001143800000000, -0.0001613000000000, -0.0007701600000000 ] - [ -0.0002553100000000, 0.0003458400000000, -0.0005029700000000 ] - [ -0.0001324000000000, 0.0002117900000000, 0.0004554900000000 ] - [ -0.0004167700000000, 0.0000313000000000, 0.0006077200000000 ] - [ -0.0001581800000000, -0.0002219400000000, 0.0004641900000000 ] - [ 0.0009500000000000, 0.0001314000000000, 0.0006155300000000 ] - [ 0.0004347100000000, -0.0005341500000000, 0.0002957700000000 ] - [ 0.0004636200000000, 0.0005956800000000, 0.0002764800000000 ] - [ 0.0004835100000000, 0.0005687500000000, 0.0003329000000000 ] - [ -0.0002873600000000, -0.0003487000000000, -0.0003324600000000 ] - [ -0.0003059800000000, -0.0004678900000000, -0.0001873300000000 ] - [ -0.0007873900000000, 0.0004988700000000, 0.0002593900000000 ] - [ -0.0003126300000000, 0.0004792400000000, -0.0001832500000000 ] - [ 0.0008504700000000, -0.0194478100000000, 0.0028693700000000 ] - [ 0.0000177000000000, 0.0000422600000000, 0.0008468800000000 ] - [ 0.0001458600000000, -0.0000356600000000, 0.0008708600000000 ] - [ 0.0000338700000000, -0.0000500000000000, 0.0008438000000000 ] - [ -0.0002980000000000, -0.0003166300000000, 0.0004137800000000 ] - [ -0.0004134400000000, -0.0002618900000000, 0.0005038400000000 ] - [ -0.0001758900000000, 0.0014075900000000, 0.0004136900000000 ] - [ -0.0004283800000000, 0.0002672000000000, 0.0005147800000000 ] - [ 0.0003079300000000, -0.0002149400000000, -0.0004656000000000 ] - [ 0.0004132800000000, 0.0006636100000000, -0.0003295100000000 ] - [ 0.0003502700000000, 0.0002278400000000, -0.0004990700000000 ] - [ 0.0004225100000000, 0.0002016000000000, -0.0004518500000000 ] - [ -0.0001315700000000, 0.0000693400000000, -0.0008434800000000 ] - [ 0.0000265700000000, 0.0001385900000000, -0.0008308100000000 ] - [ -0.0001729600000000, -0.0000522500000000, -0.0007737700000000 ] - [ 0.0041315000000000, 0.0049140600000000, -0.0007222600000000 ] - [ 0.0003259800000000, -0.0006389200000000, 0.0000964500000000 ] - [ 0.0001680000000000, -0.0013598700000000, 0.0003987200000000 ] - [ 0.0002918200000000, 0.0005505000000000, 0.0001686500000000 ] - [ 0.0002845500000000, 0.0004253400000000, -0.0000970200000000 ] - [ -0.0005074700000000, -0.0006917900000000, -0.0003905800000000 ] - [ -0.0004704200000000, -0.0006422000000000, -0.0003145600000000 ] - [ -0.0003797100000000, 0.0007571100000000, -0.0001528700000000 ] - [ -0.0006516500000000, 0.0007970200000000, -0.0001878600000000 ] - [ 0.0001833300000000, 0.0003998000000000, -0.0005451000000000 ] - [ -0.0002259400000000, 0.0008236800000000, -0.0001251400000000 ] - [ 0.0001232000000000, -0.0002927000000000, -0.0004526700000000 ] - [ 0.0000454700000000, -0.0002263400000000, -0.0002946200000000 ] - [ 0.0001144000000000, 0.0003025400000000, 0.0007150900000000 ] - [ 0.0000827500000000, 0.0002214300000000, 0.0007742900000000 ] - [ 0.0002421600000000, -0.0002002300000000, 0.0009222400000000 ] - [ 0.0001629200000000, -0.0000940800000000, 0.0008338800000000 ] - [ -0.0015582800000000, 0.0042420200000000, 0.0013511100000000 ] - [ -0.0002891100000000, 0.0006285600000000, 0.0003801300000000 ] - [ -0.0004344300000000, -0.0005615800000000, 0.0002203300000000 ] - [ -0.0003231600000000, -0.0005779700000000, 0.0003300900000000 ] - [ 0.0006356900000000, -0.0005696800000000, 0.0007576600000000 ] - [ 0.0002319100000000, -0.0001098100000000, 0.0002266800000000 ] - [ 0.0020259600000000, -0.0007382900000000, -0.0012866200000000 ] - [ 0.0001561800000000, 0.0001010900000000, -0.0001166100000000 ] - [ -0.0005922800000000, -0.0000757900000000, 0.0000494700000000 ] - [ 0.0001629900000000, 0.0003148900000000, 0.0000598200000000 ] - [ -0.0003019100000000, 0.0001044600000000, -0.0000018500000000 ] - [ -0.0000283000000000, 0.0002031700000000, -0.0000025600000000 ] - [ 0.0003350100000000, 0.0006013300000000, -0.0002893900000000 ] - [ 0.0002826000000000, 0.0005250000000000, -0.0002135000000000 ] - [ 0.0001761700000000, -0.0006994200000000, -0.0003712400000000 ] - [ -0.0034035500000000, -0.0017835300000000, -0.0030027200000000 ] - [ -0.0001987200000000, -0.0000670400000000, 0.0001048000000000 ] - [ 0.0007021600000000, -0.0001911000000000, 0.0002910900000000 ] - [ 0.0001371700000000, 0.0004883900000000, 0.0002509200000000 ] - [ 0.0002110700000000, 0.0003532300000000, 0.0006087200000000 ] - [ 0.0000231400000000, 0.0003366700000000, 0.0003882300000000 ] - [ 0.0000559200000000, -0.0000122500000000, 0.0002488500000000 ] - [ -0.0004375400000000, -0.0004070000000000, 0.0008411600000000 ] - [ 0.0002097600000000, 0.0001161600000000, 0.0002901700000000 ] - [ -0.0002360100000000, 0.0004329400000000, -0.0005471200000000 ] - [ -0.0001595400000000, 0.0005230700000000, -0.0004907800000000 ] - [ -0.0020358500000000, 0.0021211500000000, -0.0002865400000000 ] - [ 0.0000222000000000, -0.0005061700000000, -0.0003831700000000 ] - [ -0.0001173200000000, 0.0042335700000000, -0.0041893600000000 ] - [ -0.0006491700000000, -0.0003110900000000, 0.0003309700000000 ] - [ -0.0009573500000000, -0.0019156700000000, 0.0000700000000000 ] - [ -0.0003797600000000, -0.0005254200000000, -0.0000877900000000 ] - [ -0.0007137200000000, 0.0001788000000000, 0.0003599600000000 ] - [ -0.0006847000000000, 0.0003062200000000, 0.0003443100000000 ] - [ -0.0004273300000000, 0.0005439300000000, -0.0001289200000000 ] - [ -0.0003956400000000, 0.0004963700000000, -0.0000932900000000 ] - [ -0.0003084500000000, -0.0001875600000000, 0.0011411300000000 ] - [ -0.0002380500000000, -0.0000791600000000, 0.0008544700000000 ] - [ -0.0002932400000000, -0.0010269700000000, 0.0000386400000000 ] - [ -0.0002485500000000, 0.0000920500000000, 0.0007998000000000 ] - [ 0.0003607000000000, -0.0001160100000000, -0.0007328200000000 ] - [ -0.0001715900000000, 0.0033887300000000, 0.0020578800000000 ] - [ 0.0002712000000000, 0.0000826000000000, -0.0007797900000000 ] - [ 0.0002395000000000, 0.0001389400000000, -0.0008440800000000 ] - [ 0.0004489400000000, -0.0004071500000000, 0.0000709600000000 ] - [ 0.0003689400000000, -0.0002924100000000, -0.0000520500000000 ] - [ 0.0007385200000000, -0.0004139600000000, -0.0003430400000000 ] - [ 0.0007198300000000, -0.0004369800000000, -0.0005671300000000 ] - [ 0.0004899500000000, 0.0005239100000000, -0.0000000400000000 ] - [ 0.0011725500000000, -0.0001838900000000, 0.0004926000000000 ] - [ 0.0007396800000000, 0.0003803700000000, -0.0003658700000000 ] - [ 0.0020038000000000, 0.0039794200000000, 0.0010875200000000 ] - [ 0.0003828500000000, 0.0006606200000000, 0.0003530600000000 ] - [ -0.0003645400000000, 0.0007115000000000, 0.0005975900000000 ] - [ 0.0001528900000000, -0.0006597900000000, 0.0004593500000000 ] - [ 0.0000899900000000, -0.0007737200000000, 0.0004384200000000 ] - [ 0.0001446600000000, -0.0003914300000000, -0.0002698800000000 ] - [ -0.0000706400000000, -0.0005863700000000, -0.0004929900000000 ] - [ -0.0000712800000000, 0.0001770300000000, -0.0003022600000000 ] - [ -0.0001251700000000, 0.0001880300000000, -0.0003491800000000 ] - [ 0.0002122900000000, -0.0004411200000000, -0.0003296900000000 ] - [ -0.0003687600000000, -0.0002618800000000, -0.0005378200000000 ] - [ -0.0001669000000000, 0.0002085200000000, -0.0006513700000000 ] - [ -0.0002520700000000, 0.0001650300000000, -0.0005462700000000 ]- atom: 17 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0009694000000000, 0.0012382300000000, -0.0008187900000000 ] - [ -0.0001075900000000, 0.0003159200000000, -0.0007702100000000 ] - [ -0.0001184900000000, -0.0001653300000000, -0.0007648300000000 ] - [ -0.0000869900000000, -0.0001859100000000, -0.0007779800000000 ] - [ 0.0000046300000000, 0.0001647900000000, 0.0014497500000000 ] - [ -0.0001200000000000, 0.0002950400000000, 0.0004905800000000 ] - [ 0.0001637100000000, -0.0005390500000000, 0.0003409200000000 ] - [ -0.0000941600000000, -0.0002848500000000, 0.0004808300000000 ] - [ -0.0000100600000000, -0.0013271700000000, 0.0000110600000000 ] - [ 0.0005121700000000, -0.0006560500000000, 0.0003347000000000 ] - [ 0.0004830600000000, 0.0005966000000000, 0.0003530800000000 ] - [ 0.0004623300000000, 0.0006235200000000, 0.0002970800000000 ] - [ -0.0002956800000000, -0.0006707100000000, -0.0000130200000000 ] - [ -0.0002778800000000, -0.0005509600000000, -0.0001579400000000 ] - [ 0.0001993100000000, 0.0005145700000000, -0.0006002400000000 ] - [ -0.0002715800000000, 0.0005382800000000, -0.0001621000000000 ] - [ -0.0008234200000000, 0.0193081800000000, -0.0008158800000000 ] - [ 0.0001397300000000, 0.0000616500000000, 0.0008138500000000 ] - [ 0.0000150300000000, -0.0000783500000000, 0.0007896400000000 ] - [ 0.0001251100000000, -0.0000606100000000, 0.0008167900000000 ] - [ -0.0004604100000000, -0.0001607400000000, 0.0005899100000000 ] - [ -0.0003461400000000, -0.0002156100000000, 0.0005005100000000 ] - [ -0.0005832100000000, -0.0009397400000000, 0.0005913300000000 ] - [ -0.0003309500000000, 0.0002104400000000, 0.0004895900000000 ] - [ 0.0004514300000000, -0.0002610200000000, -0.0005387500000000 ] - [ 0.0003508300000000, -0.0011402500000000, -0.0006808400000000 ] - [ 0.0004093000000000, 0.0002487500000000, -0.0005058200000000 ] - [ 0.0003370100000000, 0.0002761000000000, -0.0005529300000000 ] - [ -0.0000265500000000, 0.0000322300000000, -0.0008170700000000 ] - [ -0.0001825800000000, -0.0000403800000000, -0.0008295100000000 ] - [ 0.0000143700000000, -0.0000529900000000, -0.0008866400000000 ] - [ -0.0042142600000000, -0.0049390100000000, -0.0009465400000000 ] - [ 0.0002550500000000, -0.0003775400000000, 0.0002470400000000 ] - [ 0.0004142400000000, 0.0003413300000000, -0.0000535700000000 ] - [ 0.0002898900000000, 0.0004683100000000, 0.0001752700000000 ] - [ 0.0002986600000000, 0.0005948000000000, 0.0004445000000000 ] - [ -0.0004396400000000, -0.0004995300000000, -0.0002399500000000 ] - [ -0.0004770800000000, -0.0005485300000000, -0.0003162000000000 ] - [ -0.0005697000000000, 0.0004322800000000, -0.0004784700000000 ] - [ -0.0002932400000000, 0.0003916600000000, -0.0004442900000000 ] - [ 0.0000684500000000, 0.0001067400000000, -0.0004006200000000 ] - [ 0.0004744100000000, -0.0003161400000000, -0.0008161400000000 ] - [ 0.0001287000000000, -0.0002132400000000, -0.0004951700000000 ] - [ 0.0002069700000000, -0.0002765200000000, -0.0006550100000000 ] - [ 0.0000862500000000, 0.0000455100000000, 0.0008328900000000 ] - [ 0.0001179400000000, 0.0001262200000000, 0.0007725400000000 ] - [ -0.0000388800000000, -0.0001518100000000, 0.0006270100000000 ] - [ 0.0000357600000000, -0.0002569900000000, 0.0007172400000000 ] - [ 0.0009242900000000, -0.0030637700000000, -0.0006513200000000 ] - [ -0.0003357100000000, 0.0005429500000000, 0.0003451200000000 ] - [ -0.0001900000000000, -0.0006108500000000, 0.0005052200000000 ] - [ -0.0003016800000000, -0.0005932400000000, 0.0003949900000000 ] - [ -0.0001196900000000, 0.0003433900000000, -0.0007640600000000 ] - [ 0.0002826300000000, -0.0001155200000000, -0.0002319800000000 ] - [ -0.0015101200000000, 0.0009886000000000, 0.0012865800000000 ] - [ 0.0003576100000000, 0.0001256000000000, 0.0001108500000000 ] - [ 0.0000768500000000, -0.0001508800000000, -0.0000444500000000 ] - [ -0.0006763000000000, -0.0005390100000000, -0.0000536600000000 ] - [ -0.0002127800000000, 0.0001215300000000, 0.0000079000000000 ] - [ -0.0004841700000000, 0.0000176000000000, 0.0000086000000000 ] - [ 0.0002888400000000, 0.0005700400000000, -0.0004361700000000 ] - [ 0.0003417800000000, 0.0006456700000000, -0.0005114100000000 ] - [ 0.0004493600000000, -0.0004682700000000, -0.0003535000000000 ] - [ 0.0040316200000000, 0.0006411500000000, 0.0022703400000000 ] - [ 0.0006837200000000, -0.0003571500000000, 0.0010597000000000 ] - [ -0.0002173300000000, -0.0002303900000000, 0.0008716600000000 ] - [ 0.0003468100000000, -0.0000686000000000, 0.0009131400000000 ] - [ 0.0002736600000000, 0.0000668900000000, 0.0005554800000000 ] - [ 0.0001398600000000, -0.0005734500000000, 0.0002043600000000 ] - [ 0.0001062000000000, -0.0002249500000000, 0.0003419600000000 ] - [ 0.0006081800000000, 0.0006454600000000, -0.0002605600000000 ] - [ -0.0000482900000000, 0.0001211300000000, 0.0003007400000000 ] - [ -0.0000354000000000, 0.0008046000000000, -0.0003194300000000 ] - [ -0.0001118900000000, 0.0007142600000000, -0.0003758300000000 ] - [ 0.0017838900000000, -0.0033656700000000, -0.0005939900000000 ] - [ -0.0002920800000000, -0.0007318400000000, -0.0004838900000000 ] - [ -0.0013756800000000, -0.0046588600000000, 0.0046483600000000 ] - [ -0.0007711700000000, -0.0003608300000000, 0.0003540300000000 ] - [ 0.0001177200000000, 0.0009910900000000, -0.0002494100000000 ] - [ -0.0004596900000000, -0.0004102100000000, -0.0000970600000000 ] - [ -0.0007068300000000, 0.0004932700000000, 0.0003228000000000 ] - [ -0.0007355400000000, 0.0003657200000000, 0.0003409700000000 ] - [ -0.0004128000000000, 0.0003930000000000, -0.0000555400000000 ] - [ -0.0004440500000000, 0.0004396000000000, -0.0000918300000000 ] - [ -0.0002517400000000, 0.0000150900000000, 0.0004840400000000 ] - [ -0.0003211900000000, -0.0000932400000000, 0.0007708900000000 ] - [ -0.0002572500000000, 0.0011873000000000, 0.0015849600000000 ] - [ -0.0003106600000000, 0.0000808400000000, 0.0008257400000000 ] - [ 0.0001992900000000, -0.0000571000000000, -0.0008933600000000 ] - [ 0.0008417700000000, -0.0036341900000000, -0.0037865900000000 ] - [ 0.0002891900000000, 0.0000910500000000, -0.0008458200000000 ] - [ 0.0003195300000000, 0.0000341700000000, -0.0007817300000000 ] - [ 0.0003913600000000, -0.0005285700000000, 0.0001145400000000 ] - [ 0.0004702600000000, -0.0006430300000000, 0.0002375600000000 ] - [ 0.0006827900000000, -0.0002573400000000, -0.0003406800000000 ] - [ 0.0007009800000000, -0.0002350400000000, -0.0001191600000000 ] - [ 0.0003499400000000, 0.0004108300000000, 0.0001859200000000 ] - [ -0.0003491200000000, 0.0011213600000000, -0.0003081600000000 ] - [ 0.0006805600000000, 0.0002903800000000, -0.0003186800000000 ] - [ -0.0005825400000000, -0.0033238800000000, -0.0017838100000000 ] - [ -0.0001114500000000, 0.0005784900000000, 0.0005119600000000 ] - [ 0.0006318100000000, 0.0005265900000000, 0.0002698100000000 ] - [ 0.0001177100000000, -0.0005776000000000, 0.0004070000000000 ] - [ 0.0001805900000000, -0.0004628700000000, 0.0004274800000000 ] - [ -0.0003063300000000, 0.0001554300000000, -0.0003208000000000 ] - [ -0.0000920100000000, 0.0003455300000000, -0.0000981400000000 ] - [ -0.0000916400000000, 0.0000598700000000, -0.0002893400000000 ] - [ -0.0000379600000000, 0.0000507800000000, -0.0002403300000000 ] - [ -0.0006967600000000, 0.0000196500000000, -0.0008336800000000 ] - [ -0.0001158100000000, -0.0001597700000000, -0.0006258900000000 ] - [ -0.0003161400000000, 0.0002161200000000, -0.0005127100000000 ] - [ -0.0002322600000000, 0.0002589400000000, -0.0006173100000000 ]- atom: 17 displacement: [ -0.0007714822112317, 0.0000000000000000, 0.0099701963470011 ] forces: - [ 0.0019927500000000, -0.0001465700000000, -0.0016976600000000 ] - [ -0.0001858100000000, 0.0002241200000000, -0.0008623400000000 ] - [ -0.0000245800000000, -0.0003482600000000, -0.0004604600000000 ] - [ -0.0000906300000000, -0.0001790500000000, -0.0007198000000000 ] - [ -0.0001180100000000, 0.0001508000000000, 0.0010995500000000 ] - [ -0.0001670200000000, 0.0002694000000000, 0.0004684800000000 ] - [ 0.0000336800000000, -0.0004619300000000, 0.0005270600000000 ] - [ -0.0000906500000000, -0.0002659300000000, 0.0004824500000000 ] - [ 0.0007875200000000, -0.0005221900000000, -0.0001284600000000 ] - [ 0.0004097900000000, -0.0006497100000000, 0.0002124200000000 ] - [ 0.0005049100000000, 0.0007325600000000, 0.0006626500000000 ] - [ 0.0005005500000000, 0.0005878900000000, 0.0003864500000000 ] - [ -0.0002775400000000, -0.0004828800000000, 0.0000446500000000 ] - [ -0.0003273100000000, -0.0005208700000000, -0.0001712900000000 ] - [ -0.0003811900000000, 0.0014916000000000, 0.0004269300000000 ] - [ -0.0002561300000000, 0.0005303400000000, -0.0001569600000000 ] - [ 0.0009431400000000, 0.0017505100000000, -0.0188356400000000 ] - [ 0.0000261200000000, 0.0000722700000000, 0.0007246400000000 ] - [ 0.0000189200000000, -0.0000849600000000, 0.0010168700000000 ] - [ 0.0000768400000000, -0.0000659200000000, 0.0008923300000000 ] - [ -0.0004407500000000, -0.0002905400000000, 0.0006755800000000 ] - [ -0.0003740900000000, -0.0002542700000000, 0.0005307300000000 ] - [ -0.0002751600000000, -0.0000383300000000, 0.0000853000000000 ] - [ -0.0004389700000000, 0.0001976700000000, 0.0004260000000000 ] - [ 0.0004181400000000, -0.0003153100000000, -0.0006247900000000 ] - [ 0.0003307200000000, 0.0002912600000000, -0.0009845900000000 ] - [ 0.0003698300000000, 0.0002401300000000, -0.0004526200000000 ] - [ 0.0003911000000000, 0.0002450300000000, -0.0003674100000000 ] - [ -0.0000758900000000, 0.0000629500000000, -0.0007749100000000 ] - [ -0.0000886500000000, 0.0000628700000000, -0.0007414500000000 ] - [ -0.0000659500000000, 0.0000148900000000, -0.0009558200000000 ] - [ -0.0006189700000000, -0.0002741300000000, -0.0026613600000000 ] - [ 0.0004722600000000, -0.0005489600000000, 0.0001242900000000 ] - [ -0.0003401900000000, -0.0007453900000000, 0.0007118800000000 ] - [ 0.0001108100000000, 0.0003816200000000, 0.0002342100000000 ] - [ 0.0003399000000000, 0.0004283000000000, 0.0002403100000000 ] - [ -0.0003597400000000, -0.0006075000000000, -0.0002079300000000 ] - [ -0.0004887500000000, -0.0006089200000000, -0.0002326700000000 ] - [ -0.0005572600000000, 0.0004080400000000, -0.0005113200000000 ] - [ -0.0004397900000000, 0.0005227400000000, -0.0004806000000000 ] - [ 0.0003426200000000, 0.0003029200000000, -0.0005199100000000 ] - [ -0.0002106300000000, 0.0004100600000000, 0.0000644600000000 ] - [ -0.0000891500000000, -0.0001211700000000, -0.0003959200000000 ] - [ 0.0002210300000000, -0.0003626800000000, 0.0001270200000000 ] - [ 0.0002096600000000, 0.0001816700000000, 0.0008666900000000 ] - [ 0.0000840300000000, 0.0001761000000000, 0.0008455400000000 ] - [ -0.0004268500000000, 0.0004646800000000, 0.0005546600000000 ] - [ 0.0005647600000000, 0.0001816400000000, 0.0003486300000000 ] - [ 0.0006181700000000, -0.0011388000000000, -0.0023934900000000 ] - [ -0.0005351100000000, 0.0005989800000000, 0.0002282800000000 ] - [ -0.0003454100000000, -0.0004667400000000, 0.0007137100000000 ] - [ -0.0002845500000000, -0.0005872200000000, 0.0004734700000000 ] - [ 0.0009929900000000, 0.0002058100000000, 0.0014975300000000 ] - [ 0.0002337400000000, -0.0001054900000000, 0.0001555000000000 ] - [ -0.0014253900000000, -0.0026984900000000, 0.0029834500000000 ] - [ 0.0002405700000000, 0.0000883100000000, 0.0000286100000000 ] - [ 0.0001067500000000, -0.0000325400000000, -0.0000197900000000 ] - [ -0.0004467000000000, -0.0000411200000000, 0.0003754200000000 ] - [ -0.0003791100000000, 0.0000938100000000, 0.0001338100000000 ] - [ -0.0003878000000000, 0.0004054200000000, 0.0002302900000000 ] - [ 0.0004949300000000, 0.0005777900000000, 0.0000388100000000 ] - [ 0.0002982500000000, 0.0005892700000000, -0.0000024200000000 ] - [ -0.0006490100000000, -0.0009216900000000, -0.0008150600000000 ] - [ 0.0004363700000000, -0.0029391300000000, -0.0046314100000000 ] - [ -0.0005223800000000, -0.0004507600000000, 0.0003398800000000 ] - [ 0.0005419100000000, -0.0002103300000000, 0.0003976600000000 ] - [ 0.0011133500000000, 0.0003593400000000, 0.0000431500000000 ] - [ 0.0001586400000000, 0.0003230200000000, 0.0005724500000000 ] - [ -0.0001319300000000, 0.0000571000000000, -0.0001981900000000 ] - [ 0.0000768800000000, -0.0001088800000000, 0.0002606500000000 ] - [ 0.0003406000000000, 0.0009920700000000, 0.0008282500000000 ] - [ -0.0000084500000000, 0.0001944100000000, 0.0002926800000000 ] - [ -0.0004263300000000, 0.0003192000000000, -0.0009804800000000 ] - [ -0.0001467100000000, 0.0005999700000000, -0.0004833500000000 ] - [ -0.0042631000000000, 0.0003524000000000, 0.0031592000000000 ] - [ -0.0001934000000000, -0.0005222500000000, -0.0003321600000000 ] - [ -0.0008412600000000, -0.0036501300000000, 0.0080145900000000 ] - [ -0.0006533300000000, -0.0003876000000000, 0.0003929600000000 ] - [ -0.0005405300000000, 0.0002244900000000, 0.0001720200000000 ] - [ -0.0003678700000000, -0.0004244400000000, -0.0000419200000000 ] - [ -0.0006930200000000, 0.0004810800000000, 0.0001351600000000 ] - [ -0.0007165300000000, 0.0003510600000000, 0.0002808500000000 ] - [ -0.0003302400000000, 0.0002201200000000, -0.0004741800000000 ] - [ -0.0004195000000000, 0.0004529500000000, -0.0001560400000000 ] - [ -0.0003182300000000, -0.0000613700000000, 0.0004006000000000 ] - [ -0.0002872200000000, -0.0000812600000000, 0.0007400600000000 ] - [ 0.0002255100000000, -0.0002574700000000, 0.0017724700000000 ] - [ -0.0001747300000000, 0.0001149600000000, 0.0009436100000000 ] - [ 0.0004810000000000, -0.0000768200000000, -0.0003647700000000 ] - [ -0.0008067300000000, 0.0024171600000000, 0.0046969200000000 ] - [ 0.0003471500000000, 0.0000963200000000, -0.0010908900000000 ] - [ 0.0001299200000000, 0.0001476800000000, -0.0012356800000000 ] - [ 0.0003661300000000, -0.0004752400000000, -0.0000233500000000 ] - [ 0.0005725600000000, -0.0005457400000000, -0.0002331700000000 ] - [ 0.0006442400000000, -0.0003226400000000, -0.0004591700000000 ] - [ 0.0008094400000000, -0.0002633300000000, -0.0006155100000000 ] - [ 0.0007582600000000, 0.0007769700000000, 0.0000371100000000 ] - [ 0.0000723300000000, 0.0008028400000000, 0.0006106600000000 ] - [ 0.0009815200000000, 0.0002792700000000, -0.0002131800000000 ] - [ 0.0040988600000000, 0.0030523000000000, 0.0061254400000000 ] - [ -0.0001195600000000, 0.0003885100000000, 0.0007577700000000 ] - [ 0.0005784300000000, 0.0005953100000000, 0.0006639800000000 ] - [ 0.0001495700000000, -0.0006082300000000, 0.0002601100000000 ] - [ 0.0001206000000000, -0.0006633500000000, 0.0003275800000000 ] - [ -0.0004156500000000, 0.0000757300000000, -0.0002555400000000 ] - [ 0.0001959000000000, -0.0005086000000000, -0.0002988600000000 ] - [ -0.0000759900000000, 0.0000870600000000, -0.0004445200000000 ] - [ -0.0000724900000000, 0.0000130500000000, -0.0004609300000000 ] - [ -0.0006747300000000, -0.0000916500000000, -0.0007144500000000 ] - [ -0.0000567100000000, -0.0002459300000000, -0.0006698100000000 ] - [ -0.0001012300000000, 0.0000351600000000, -0.0006665500000000 ] - [ -0.0003130700000000, 0.0000317400000000, -0.0006457000000000 ]- atom: 17 displacement: [ 0.0007714822112317, 0.0000000000000000, -0.0099701963470011 ] forces: - [ -0.0021884700000000, 0.0004951200000000, 0.0001604300000000 ] - [ -0.0000151400000000, 0.0001243700000000, -0.0006851400000000 ] - [ -0.0001762700000000, 0.0000004000000000, -0.0010881100000000 ] - [ -0.0001103600000000, -0.0001681300000000, -0.0008281400000000 ] - [ -0.0001322400000000, 0.0003587800000000, -0.0001515300000000 ] - [ -0.0000852300000000, 0.0002375300000000, 0.0004774000000000 ] - [ -0.0002858800000000, -0.0000442800000000, 0.0004184400000000 ] - [ -0.0001618800000000, -0.0002412300000000, 0.0004643300000000 ] - [ 0.0001610700000000, -0.0006667300000000, 0.0007602200000000 ] - [ 0.0005374200000000, -0.0005402100000000, 0.0004177500000000 ] - [ 0.0004426700000000, 0.0004592100000000, -0.0000329900000000 ] - [ 0.0004454900000000, 0.0006040600000000, 0.0002437200000000 ] - [ -0.0003052500000000, -0.0005377000000000, -0.0003891800000000 ] - [ -0.0002565600000000, -0.0004981300000000, -0.0001742000000000 ] - [ -0.0002082500000000, -0.0004711400000000, -0.0007685600000000 ] - [ -0.0003283000000000, 0.0004875200000000, -0.0001884000000000 ] - [ -0.0008238800000000, -0.0017840200000000, 0.0205603200000000 ] - [ 0.0001310300000000, 0.0000307300000000, 0.0009355000000000 ] - [ 0.0001415000000000, -0.0000245100000000, 0.0006432000000000 ] - [ 0.0000813100000000, -0.0000418100000000, 0.0007679400000000 ] - [ -0.0003172400000000, -0.0001865700000000, 0.0003284200000000 ] - [ -0.0003854100000000, -0.0002220600000000, 0.0004735200000000 ] - [ -0.0004840600000000, 0.0005185000000000, 0.0009178000000000 ] - [ -0.0003203200000000, 0.0002801700000000, 0.0005784400000000 ] - [ 0.0003416900000000, -0.0001593700000000, -0.0003806800000000 ] - [ 0.0004288300000000, -0.0007660000000000, -0.0000216200000000 ] - [ 0.0003903000000000, 0.0002353400000000, -0.0005531300000000 ] - [ 0.0003692200000000, 0.0002319100000000, -0.0006375200000000 ] - [ -0.0000819600000000, 0.0000395900000000, -0.0008855700000000 ] - [ -0.0000677500000000, 0.0000384000000000, -0.0009188900000000 ] - [ -0.0000913700000000, -0.0001159700000000, -0.0007047100000000 ] - [ 0.0004447500000000, 0.0001435500000000, 0.0010052300000000 ] - [ 0.0001102200000000, -0.0004682800000000, 0.0002198500000000 ] - [ 0.0009273700000000, -0.0002758500000000, -0.0003690300000000 ] - [ 0.0004709100000000, 0.0006365400000000, 0.0001092500000000 ] - [ 0.0002443100000000, 0.0005909200000000, 0.0001045800000000 ] - [ -0.0005874700000000, -0.0005834200000000, -0.0004227000000000 ] - [ -0.0004575400000000, -0.0005825400000000, -0.0003986500000000 ] - [ -0.0003895400000000, 0.0007828900000000, -0.0001190300000000 ] - [ -0.0005085800000000, 0.0006662400000000, -0.0001503300000000 ] - [ -0.0000907500000000, 0.0002040600000000, -0.0004247400000000 ] - [ 0.0004591400000000, 0.0001004800000000, -0.0010073700000000 ] - [ 0.0003412200000000, -0.0003844500000000, -0.0005513600000000 ] - [ 0.0000351400000000, -0.0001405300000000, -0.0010754300000000 ] - [ -0.0000097100000000, 0.0001654400000000, 0.0006811500000000 ] - [ 0.0001164700000000, 0.0001716800000000, 0.0007012700000000 ] - [ 0.0006293100000000, -0.0008143400000000, 0.0009956700000000 ] - [ -0.0003648500000000, -0.0005311400000000, 0.0012027900000000 ] - [ -0.0012388100000000, 0.0023038800000000, 0.0031125800000000 ] - [ -0.0000901200000000, 0.0005726000000000, 0.0004955100000000 ] - [ -0.0002784500000000, -0.0007048000000000, 0.0000109600000000 ] - [ -0.0003409600000000, -0.0005841600000000, 0.0002502000000000 ] - [ -0.0004862800000000, -0.0004316200000000, -0.0015123900000000 ] - [ 0.0002805400000000, -0.0001194500000000, -0.0001601600000000 ] - [ 0.0019117700000000, 0.0029152200000000, -0.0029801600000000 ] - [ 0.0002723700000000, 0.0001374300000000, -0.0000332500000000 ] - [ -0.0006202200000000, -0.0001929000000000, 0.0000235700000000 ] - [ -0.0000673500000000, -0.0001828600000000, -0.0003699100000000 ] - [ -0.0001344100000000, 0.0001313500000000, -0.0001290500000000 ] - [ -0.0001255400000000, -0.0001832400000000, -0.0002254100000000 ] - [ 0.0001294500000000, 0.0005942200000000, -0.0007628800000000 ] - [ 0.0003270000000000, 0.0005816500000000, -0.0007208000000000 ] - [ 0.0012740400000000, -0.0002483400000000, 0.0000912400000000 ] - [ 0.0001535300000000, 0.0017843800000000, 0.0039009100000000 ] - [ 0.0010092600000000, 0.0000297300000000, 0.0008213100000000 ] - [ -0.0000543600000000, -0.0002110400000000, 0.0007630400000000 ] - [ -0.0006243500000000, 0.0000592500000000, 0.0011225200000000 ] - [ 0.0003287600000000, 0.0000972600000000, 0.0005905800000000 ] - [ 0.0002960400000000, -0.0002966200000000, 0.0007911500000000 ] - [ 0.0000855700000000, -0.0001282700000000, 0.0003311100000000 ] - [ -0.0001782800000000, -0.0007553300000000, -0.0002323000000000 ] - [ 0.0001703300000000, 0.0000436000000000, 0.0002984700000000 ] - [ 0.0001577800000000, 0.0009209300000000, 0.0001173300000000 ] - [ -0.0001245400000000, 0.0006377000000000, -0.0003824300000000 ] - [ 0.0038213500000000, -0.0015582500000000, -0.0039434900000000 ] - [ -0.0000770800000000, -0.0007155300000000, -0.0005339300000000 ] - [ -0.0006455000000000, 0.0031831500000000, -0.0074715000000000 ] - [ -0.0007676000000000, -0.0002837400000000, 0.0002919800000000 ] - [ -0.0003005600000000, -0.0011604800000000, -0.0003559300000000 ] - [ -0.0004716400000000, -0.0005117500000000, -0.0001438700000000 ] - [ -0.0007286400000000, 0.0001906300000000, 0.0005489300000000 ] - [ -0.0007041100000000, 0.0003202200000000, 0.0004041600000000 ] - [ -0.0005096000000000, 0.0007157900000000, 0.0002877600000000 ] - [ -0.0004202100000000, 0.0004834100000000, -0.0000300600000000 ] - [ -0.0002431300000000, -0.0001102900000000, 0.0012229900000000 ] - [ -0.0002727100000000, -0.0000908100000000, 0.0008854300000000 ] - [ -0.0007874600000000, 0.0004303000000000, -0.0001469000000000 ] - [ -0.0003850900000000, 0.0000577300000000, 0.0006819400000000 ] - [ 0.0000811900000000, -0.0000959600000000, -0.0012610400000000 ] - [ 0.0015126100000000, -0.0027200600000000, -0.0064329300000000 ] - [ 0.0002154000000000, 0.0000770700000000, -0.0005356000000000 ] - [ 0.0004294400000000, 0.0000253700000000, -0.0003909100000000 ] - [ 0.0004750700000000, -0.0004612200000000, 0.0002092100000000 ] - [ 0.0002670500000000, -0.0003903300000000, 0.0004190100000000 ] - [ 0.0007783500000000, -0.0003480500000000, -0.0002249600000000 ] - [ 0.0006123000000000, -0.0004079900000000, -0.0000714100000000 ] - [ 0.0000830700000000, 0.0001599400000000, 0.0001485600000000 ] - [ 0.0007684800000000, 0.0001332200000000, -0.0004243200000000 ] - [ 0.0004401400000000, 0.0003909600000000, -0.0004709100000000 ] - [ -0.0024978600000000, -0.0023317900000000, -0.0067068600000000 ] - [ 0.0003914600000000, 0.0008487100000000, 0.0001081600000000 ] - [ -0.0003076900000000, 0.0006413300000000, 0.0002018500000000 ] - [ 0.0001216500000000, -0.0006287600000000, 0.0006055800000000 ] - [ 0.0001505300000000, -0.0005736400000000, 0.0005381600000000 ] - [ 0.0002544400000000, -0.0003124900000000, -0.0003361500000000 ] - [ -0.0003585700000000, 0.0002700600000000, -0.0002932500000000 ] - [ -0.0000867600000000, 0.0001492800000000, -0.0001479700000000 ] - [ -0.0000903200000000, 0.0002250500000000, -0.0001290500000000 ] - [ 0.0001877200000000, -0.0003291800000000, -0.0004487200000000 ] - [ -0.0004282000000000, -0.0001757800000000, -0.0004925400000000 ] - [ -0.0003841200000000, 0.0003876200000000, -0.0004961000000000 ] - [ -0.0001712900000000, 0.0003906800000000, -0.0005173000000000 ]- atom: 21 displacement: [ 0.0099872533903921, 0.0000000000000000, -0.0005047471803797 ] forces: - [ -0.0001390600000000, 0.0000006400000000, -0.0010954100000000 ] - [ -0.0000019800000000, 0.0002615100000000, -0.0006583400000000 ] - [ -0.0000959700000000, -0.0001062400000000, -0.0005262800000000 ] - [ 0.0000547500000000, -0.0002669600000000, -0.0008763000000000 ] - [ 0.0011945800000000, -0.0022097900000000, -0.0029710000000000 ] - [ 0.0000321900000000, 0.0003119100000000, 0.0005119400000000 ] - [ -0.0001204900000000, -0.0002767100000000, 0.0005033000000000 ] - [ -0.0000375300000000, -0.0002477800000000, 0.0004755500000000 ] - [ 0.0003596000000000, -0.0003489900000000, 0.0001111500000000 ] - [ 0.0005489700000000, -0.0006978800000000, 0.0003996600000000 ] - [ 0.0017015500000000, 0.0008876900000000, 0.0023684600000000 ] - [ 0.0006577400000000, 0.0006015800000000, 0.0002530900000000 ] - [ -0.0004610800000000, -0.0003321800000000, -0.0001529200000000 ] - [ -0.0001234700000000, -0.0005629400000000, -0.0001374900000000 ] - [ -0.0000181400000000, 0.0005841000000000, -0.0001661800000000 ] - [ -0.0001917100000000, 0.0005027000000000, -0.0001789500000000 ] - [ -0.0001280400000000, 0.0001373000000000, 0.0007437800000000 ] - [ 0.0002542400000000, 0.0000174900000000, 0.0008479500000000 ] - [ -0.0006920300000000, -0.0002571200000000, 0.0008960700000000 ] - [ 0.0003948600000000, -0.0000008500000000, 0.0007990600000000 ] - [ -0.0519034000000000, 0.0042625000000000, 0.0071948500000000 ] - [ -0.0001146900000000, -0.0002533000000000, 0.0005083100000000 ] - [ -0.0004899300000000, 0.0001705800000000, 0.0004600700000000 ] - [ -0.0002669300000000, 0.0002554000000000, 0.0005287100000000 ] - [ 0.0005153500000000, -0.0002136400000000, -0.0005033500000000 ] - [ 0.0002114700000000, -0.0002756700000000, -0.0005122300000000 ] - [ 0.0005296300000000, 0.0001846600000000, -0.0004348800000000 ] - [ 0.0055836000000000, -0.0015906400000000, -0.0081237400000000 ] - [ 0.0001068700000000, 0.0001275100000000, -0.0007707600000000 ] - [ -0.0004823400000000, 0.0000311500000000, -0.0008856000000000 ] - [ 0.0000868300000000, -0.0000811100000000, -0.0008295600000000 ] - [ -0.0003688000000000, -0.0000116700000000, -0.0008481800000000 ] - [ 0.0005807600000000, -0.0005942100000000, 0.0000756300000000 ] - [ 0.0003138300000000, -0.0005605500000000, 0.0013318000000000 ] - [ 0.0003358100000000, 0.0005156800000000, 0.0002100000000000 ] - [ 0.0003908200000000, 0.0003437100000000, -0.0000577000000000 ] - [ 0.0002430100000000, -0.0010269600000000, -0.0001165400000000 ] - [ 0.0004700300000000, -0.0001128300000000, -0.0004830000000000 ] - [ -0.0004740300000000, 0.0005865100000000, -0.0003504700000000 ] - [ -0.0004869200000000, 0.0006330900000000, -0.0002905800000000 ] - [ 0.0003912800000000, 0.0003665600000000, -0.0004899000000000 ] - [ 0.0001191600000000, 0.0001155400000000, -0.0001469000000000 ] - [ 0.0001537600000000, -0.0002266500000000, -0.0004222100000000 ] - [ 0.0002227000000000, -0.0002108200000000, -0.0007039800000000 ] - [ 0.0002671900000000, 0.0002639400000000, 0.0008412300000000 ] - [ 0.0002696000000000, 0.0000063000000000, 0.0007442400000000 ] - [ 0.0000866000000000, -0.0001625600000000, 0.0007415700000000 ] - [ 0.0001095600000000, -0.0002348300000000, 0.0007971700000000 ] - [ -0.0001465900000000, 0.0004251400000000, 0.0001787800000000 ] - [ -0.0001582200000000, 0.0005922100000000, 0.0004849100000000 ] - [ 0.0003290800000000, -0.0041827600000000, 0.0022589300000000 ] - [ -0.0000071900000000, -0.0005631400000000, 0.0003992700000000 ] - [ -0.0013920100000000, 0.0037823500000000, -0.0027115300000000 ] - [ 0.0007746100000000, -0.0001008100000000, 0.0000509300000000 ] - [ -0.0002910500000000, 0.0000890100000000, -0.0000805800000000 ] - [ 0.0005981500000000, 0.0001103400000000, -0.0000964200000000 ] - [ 0.0001518700000000, -0.0000414200000000, -0.0001590900000000 ] - [ -0.0003612400000000, 0.0002041400000000, 0.0003965300000000 ] - [ -0.0003334800000000, -0.0000083100000000, 0.0002029900000000 ] - [ -0.0006446500000000, 0.0004486800000000, -0.0005369800000000 ] - [ 0.0015869900000000, 0.0010169700000000, 0.0000175100000000 ] - [ 0.0015363200000000, -0.0027132000000000, -0.0022243800000000 ] - [ 0.0004333400000000, -0.0005763600000000, -0.0004419200000000 ] - [ 0.0004739800000000, -0.0005605100000000, -0.0003479300000000 ] - [ -0.0004755100000000, -0.0006926400000000, 0.0016050600000000 ] - [ -0.0003769900000000, -0.0000082200000000, 0.0002787800000000 ] - [ 0.0004117700000000, 0.0001430900000000, 0.0002101000000000 ] - [ -0.0001466600000000, 0.0002325600000000, 0.0008745600000000 ] - [ 0.0210745200000000, 0.0043610200000000, -0.0035116200000000 ] - [ -0.0004102200000000, -0.0001313900000000, 0.0002894700000000 ] - [ 0.0002172800000000, 0.0002005300000000, 0.0004080100000000 ] - [ -0.0000164200000000, 0.0000937700000000, 0.0002654900000000 ] - [ -0.0000648800000000, -0.0005828200000000, -0.0009845800000000 ] - [ -0.0007293800000000, 0.0007532700000000, -0.0005626600000000 ] - [ -0.0000147500000000, -0.0007260900000000, -0.0002518900000000 ] - [ -0.0002278100000000, -0.0005986300000000, -0.0004552400000000 ] - [ -0.0005110700000000, -0.0001013500000000, 0.0008229900000000 ] - [ -0.0008733700000000, -0.0003617900000000, 0.0002808400000000 ] - [ -0.0002753500000000, -0.0005316300000000, -0.0000389900000000 ] - [ -0.0005976700000000, -0.0004601200000000, -0.0001416300000000 ] - [ -0.0004140800000000, 0.0004200700000000, 0.0002883400000000 ] - [ -0.0009180200000000, 0.0003038800000000, 0.0003670800000000 ] - [ 0.0024459900000000, 0.0003554500000000, 0.0003755100000000 ] - [ -0.0006649000000000, 0.0005009200000000, -0.0000757600000000 ] - [ 0.0023093700000000, 0.0016101500000000, 0.0004715500000000 ] - [ -0.0005749300000000, -0.0001018900000000, 0.0007546500000000 ] - [ -0.0001337500000000, 0.0001460300000000, 0.0009330700000000 ] - [ -0.0004714900000000, 0.0000918500000000, 0.0007147900000000 ] - [ 0.0000053100000000, -0.0000812700000000, -0.0007449200000000 ] - [ 0.0005585300000000, -0.0000191000000000, -0.0009486700000000 ] - [ -0.0001299000000000, 0.0001296200000000, -0.0011647800000000 ] - [ 0.0007004600000000, 0.0007613400000000, 0.0000966300000000 ] - [ -0.0001277100000000, -0.0003986900000000, 0.0000348000000000 ] - [ 0.0167434400000000, -0.0050499200000000, 0.0061524400000000 ] - [ 0.0001890100000000, -0.0006811900000000, -0.0002119800000000 ] - [ 0.0012402800000000, 0.0008873600000000, -0.0005764800000000 ] - [ 0.0002827900000000, 0.0004250700000000, 0.0001005100000000 ] - [ 0.0004757500000000, 0.0004960100000000, 0.0001577700000000 ] - [ 0.0005875400000000, 0.0003700000000000, -0.0003471000000000 ] - [ 0.0008055000000000, 0.0003291700000000, -0.0002494200000000 ] - [ 0.0000227900000000, 0.0006680000000000, 0.0005701400000000 ] - [ 0.0001580900000000, 0.0004586100000000, 0.0001309300000000 ] - [ 0.0000530800000000, -0.0007166400000000, 0.0003174300000000 ] - [ 0.0001642600000000, -0.0004396600000000, 0.0006571100000000 ] - [ -0.0002050900000000, -0.0002053600000000, -0.0001824600000000 ] - [ -0.0001203800000000, -0.0001760800000000, -0.0004910600000000 ] - [ -0.0002334500000000, 0.0004561900000000, -0.0006023800000000 ] - [ -0.0004125400000000, -0.0003792300000000, 0.0004325800000000 ] - [ -0.0006484400000000, 0.0001137200000000, -0.0003584500000000 ] - [ -0.0004127000000000, -0.0003526500000000, -0.0007492400000000 ] - [ -0.0000117900000000, 0.0001285600000000, -0.0005106400000000 ] - [ -0.0003861900000000, 0.0001326600000000, -0.0004328000000000 ]- atom: 21 displacement: [ -0.0099872533903921, 0.0000000000000000, 0.0005047471803797 ] forces: - [ -0.0000619600000000, 0.0003488800000000, -0.0004520300000000 ] - [ -0.0001991300000000, 0.0000888900000000, -0.0008901300000000 ] - [ -0.0001050100000000, -0.0002416300000000, -0.0010217900000000 ] - [ -0.0002550800000000, -0.0000800000000000, -0.0006706200000000 ] - [ -0.0014435900000000, 0.0027314900000000, 0.0039548400000000 ] - [ -0.0002837900000000, 0.0001946900000000, 0.0004338700000000 ] - [ -0.0001317300000000, -0.0002309300000000, 0.0004430600000000 ] - [ -0.0002139500000000, -0.0002591000000000, 0.0004703100000000 ] - [ 0.0005862600000000, -0.0008427300000000, 0.0005207200000000 ] - [ 0.0003989900000000, -0.0004921300000000, 0.0002315100000000 ] - [ -0.0007652000000000, 0.0002940100000000, -0.0017551800000000 ] - [ 0.0002897500000000, 0.0005894700000000, 0.0003786500000000 ] - [ -0.0001186100000000, -0.0006880100000000, -0.0001917800000000 ] - [ -0.0004587000000000, -0.0004564300000000, -0.0002073500000000 ] - [ -0.0005653700000000, 0.0004329800000000, -0.0001765500000000 ] - [ -0.0003906300000000, 0.0005148500000000, -0.0001655600000000 ] - [ 0.0002855300000000, -0.0000341800000000, 0.0009169200000000 ] - [ -0.0000961700000000, 0.0000851300000000, 0.0008122300000000 ] - [ 0.0008489700000000, 0.0001560000000000, 0.0007637200000000 ] - [ -0.0002363700000000, -0.0000999800000000, 0.0008610800000000 ] - [ 0.0512768600000000, -0.0039050600000000, -0.0066668600000000 ] - [ -0.0006437700000000, -0.0002236100000000, 0.0004966700000000 ] - [ -0.0002697100000000, 0.0003060500000000, 0.0005439900000000 ] - [ -0.0004918500000000, 0.0002210100000000, 0.0004757400000000 ] - [ 0.0002445800000000, -0.0002617600000000, -0.0005018500000000 ] - [ 0.0005480400000000, -0.0002010900000000, -0.0004924200000000 ] - [ 0.0002300900000000, 0.0002926900000000, -0.0005686200000000 ] - [ -0.0047788300000000, 0.0020275400000000, 0.0070161200000000 ] - [ -0.0002647500000000, -0.0000196900000000, -0.0008888900000000 ] - [ 0.0003210300000000, 0.0000766900000000, -0.0007744600000000 ] - [ -0.0002440800000000, -0.0000209500000000, -0.0008303600000000 ] - [ 0.0002100300000000, -0.0000920800000000, -0.0008119400000000 ] - [ 0.0000020300000000, -0.0004234000000000, 0.0002681800000000 ] - [ 0.0002727400000000, -0.0004563100000000, -0.0009850400000000 ] - [ 0.0002469300000000, 0.0005036800000000, 0.0001346700000000 ] - [ 0.0001924700000000, 0.0006758200000000, 0.0004022400000000 ] - [ -0.0011929100000000, -0.0001701200000000, -0.0005137100000000 ] - [ -0.0014069400000000, -0.0010797700000000, -0.0001455500000000 ] - [ -0.0004722000000000, 0.0006043300000000, -0.0002804900000000 ] - [ -0.0004611600000000, 0.0005566500000000, -0.0003409900000000 ] - [ -0.0001393400000000, 0.0001402800000000, -0.0004561800000000 ] - [ 0.0001341000000000, 0.0003908800000000, -0.0007982900000000 ] - [ 0.0000986100000000, -0.0002802900000000, -0.0005234300000000 ] - [ 0.0000297000000000, -0.0002973600000000, -0.0002422800000000 ] - [ -0.0000666900000000, 0.0000843400000000, 0.0007061600000000 ] - [ -0.0000679500000000, 0.0003415000000000, 0.0008032700000000 ] - [ 0.0001146500000000, -0.0001859100000000, 0.0008060500000000 ] - [ 0.0000916800000000, -0.0001139500000000, 0.0007497800000000 ] - [ -0.0004805800000000, 0.0007458500000000, 0.0005450500000000 ] - [ -0.0004680000000000, 0.0005795000000000, 0.0002385300000000 ] - [ -0.0009323200000000, 0.0030236700000000, -0.0015471300000000 ] - [ -0.0006177400000000, -0.0006082800000000, 0.0003245300000000 ] - [ 0.0019049500000000, -0.0040110200000000, 0.0027072800000000 ] - [ -0.0002603000000000, -0.0001235300000000, -0.0000560500000000 ] - [ 0.0008060500000000, 0.0001372100000000, 0.0000751500000000 ] - [ -0.0000821800000000, 0.0001144800000000, 0.0000909400000000 ] - [ -0.0006668500000000, -0.0001835700000000, 0.0001654800000000 ] - [ -0.0001548700000000, -0.0004281400000000, -0.0003900200000000 ] - [ -0.0001790900000000, 0.0002334300000000, -0.0001979700000000 ] - [ 0.0001287200000000, -0.0002201500000000, 0.0005397600000000 ] - [ -0.0009539700000000, 0.0001592300000000, -0.0007393400000000 ] - [ -0.0008815900000000, 0.0038767000000000, 0.0015009000000000 ] - [ 0.0001942400000000, -0.0005953900000000, -0.0002815300000000 ] - [ 0.0001542300000000, -0.0006110600000000, -0.0003739700000000 ] - [ 0.0009599400000000, 0.0002688900000000, -0.0004382800000000 ] - [ 0.0008615000000000, -0.0004149200000000, 0.0008860400000000 ] - [ 0.0000720700000000, 0.0002784400000000, 0.0009545900000000 ] - [ 0.0006297600000000, 0.0001892200000000, 0.0002896300000000 ] - [ -0.0217786400000000, -0.0049816200000000, 0.0043617100000000 ] - [ 0.0005730500000000, -0.0001053700000000, 0.0003003200000000 ] - [ -0.0000545200000000, 0.0000360100000000, 0.0001825700000000 ] - [ 0.0001785000000000, 0.0001428900000000, 0.0003252200000000 ] - [ -0.0002049700000000, 0.0018268800000000, 0.0001199700000000 ] - [ 0.0004577300000000, 0.0004840500000000, -0.0003039700000000 ] - [ -0.0002560000000000, -0.0005122000000000, -0.0006156200000000 ] - [ -0.0000434300000000, -0.0006387200000000, -0.0004112500000000 ] - [ -0.0009110200000000, -0.0005707600000000, -0.0001376600000000 ] - [ -0.0005475200000000, -0.0003103300000000, 0.0004043300000000 ] - [ -0.0005637400000000, -0.0004023800000000, -0.0001459600000000 ] - [ -0.0002419500000000, -0.0004752700000000, -0.0000435700000000 ] - [ -0.0010074900000000, 0.0002544600000000, 0.0003953100000000 ] - [ -0.0005034600000000, 0.0003676200000000, 0.0003179900000000 ] - [ -0.0032803600000000, 0.0005679500000000, -0.0005084000000000 ] - [ -0.0001756500000000, 0.0004344500000000, -0.0001098600000000 ] - [ -0.0028812100000000, -0.0018650900000000, 0.0011376400000000 ] - [ 0.0000139000000000, -0.0000709000000000, 0.0008694100000000 ] - [ -0.0004255800000000, 0.0000271900000000, 0.0006911000000000 ] - [ -0.0000889300000000, 0.0000810400000000, 0.0009099100000000 ] - [ 0.0005547300000000, -0.0000914500000000, -0.0008793900000000 ] - [ 0.0000006400000000, -0.0001534500000000, -0.0006789000000000 ] - [ 0.0006880200000000, 0.0000440500000000, -0.0004620900000000 ] - [ -0.0001414200000000, -0.0005832500000000, -0.0017216200000000 ] - [ 0.0009648600000000, -0.0005363000000000, 0.0001506500000000 ] - [ -0.0152612500000000, 0.0037662200000000, -0.0057133700000000 ] - [ 0.0012298100000000, 0.0000056600000000, -0.0004709600000000 ] - [ 0.0001795400000000, -0.0015527100000000, -0.0001062000000000 ] - [ 0.0005569300000000, 0.0005099600000000, 0.0000848200000000 ] - [ 0.0003644000000000, 0.0004393800000000, 0.0000274000000000 ] - [ 0.0008332700000000, 0.0003021200000000, -0.0003376800000000 ] - [ 0.0006161400000000, 0.0003425900000000, -0.0004353100000000 ] - [ 0.0002483600000000, 0.0005699200000000, 0.0002963200000000 ] - [ 0.0001128300000000, 0.0007787200000000, 0.0007354300000000 ] - [ 0.0002171800000000, -0.0005209800000000, 0.0005489100000000 ] - [ 0.0001061200000000, -0.0007987800000000, 0.0002093700000000 ] - [ 0.0000426300000000, -0.0000319800000000, -0.0004087200000000 ] - [ -0.0000424600000000, -0.0000611600000000, -0.0000998500000000 ] - [ 0.0000712400000000, -0.0002197900000000, 0.0000123900000000 ] - [ 0.0002448100000000, 0.0006135700000000, -0.0010177100000000 ] - [ 0.0001671000000000, -0.0005363700000000, -0.0008056500000000 ] - [ -0.0000715700000000, -0.0000694200000000, -0.0004154800000000 ] - [ -0.0004735800000000, 0.0002934100000000, -0.0006529800000000 ] - [ -0.0000986200000000, 0.0002881600000000, -0.0007295600000000 ]- atom: 21 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0001527600000000, 0.0000732900000000, -0.0009886800000000 ] - [ -0.0000974000000000, 0.0001177700000000, -0.0008410600000000 ] - [ -0.0002601000000000, 0.0000841900000000, -0.0005631100000000 ] - [ -0.0000844500000000, -0.0001086700000000, -0.0007330900000000 ] - [ -0.0025910600000000, -0.0005203600000000, 0.0028504100000000 ] - [ -0.0001355000000000, 0.0001595900000000, 0.0004390500000000 ] - [ -0.0001679000000000, -0.0003465000000000, 0.0002130900000000 ] - [ -0.0001278400000000, -0.0002389800000000, 0.0004718300000000 ] - [ 0.0004186800000000, -0.0004432100000000, 0.0001864100000000 ] - [ 0.0005109600000000, -0.0005153400000000, 0.0002772500000000 ] - [ 0.0014301700000000, 0.0000808000000000, 0.0017569500000000 ] - [ 0.0004925400000000, 0.0005547900000000, 0.0003761600000000 ] - [ -0.0010056400000000, 0.0002569700000000, 0.0003746700000000 ] - [ -0.0002862900000000, -0.0004484300000000, -0.0001968000000000 ] - [ -0.0003048400000000, 0.0008389400000000, -0.0005133100000000 ] - [ -0.0002954300000000, 0.0004898700000000, -0.0001684300000000 ] - [ 0.0001678900000000, -0.0000256500000000, 0.0007843600000000 ] - [ 0.0000538400000000, 0.0000292200000000, 0.0008116800000000 ] - [ 0.0001081200000000, 0.0011138700000000, 0.0011104000000000 ] - [ 0.0000616000000000, -0.0000261700000000, 0.0008694500000000 ] - [ 0.0037833100000000, -0.0300032200000000, 0.0013338900000000 ] - [ -0.0003917200000000, -0.0003397000000000, 0.0005487900000000 ] - [ -0.0003111000000000, 0.0002765800000000, 0.0005140000000000 ] - [ -0.0003972000000000, 0.0002444500000000, 0.0004983400000000 ] - [ 0.0003551000000000, -0.0002103300000000, -0.0005092500000000 ] - [ 0.0004181200000000, -0.0001422200000000, -0.0004744200000000 ] - [ 0.0003292800000000, 0.0001912900000000, -0.0004115100000000 ] - [ -0.0013465400000000, -0.0022397400000000, 0.0014740700000000 ] - [ -0.0001500200000000, 0.0000731500000000, -0.0007573600000000 ] - [ 0.0007941300000000, 0.0009556500000000, -0.0012922100000000 ] - [ -0.0001193300000000, -0.0000631300000000, -0.0008313900000000 ] - [ -0.0000203000000000, -0.0000900200000000, -0.0008187300000000 ] - [ 0.0004041700000000, -0.0006034800000000, 0.0000904100000000 ] - [ 0.0002554300000000, -0.0004261400000000, -0.0005160400000000 ] - [ 0.0002508800000000, 0.0005829300000000, 0.0001494500000000 ] - [ 0.0002305500000000, 0.0007606100000000, 0.0002842300000000 ] - [ -0.0000777500000000, -0.0011969700000000, -0.0000242800000000 ] - [ -0.0006351300000000, -0.0012587900000000, 0.0000186800000000 ] - [ -0.0005178300000000, 0.0006441100000000, -0.0003550700000000 ] - [ -0.0004631200000000, 0.0005991800000000, -0.0002827500000000 ] - [ 0.0002152400000000, 0.0003732300000000, -0.0004855300000000 ] - [ 0.0001092100000000, 0.0003738500000000, -0.0005446900000000 ] - [ 0.0000813900000000, -0.0003079900000000, -0.0004841300000000 ] - [ 0.0000483000000000, -0.0004320500000000, -0.0003694100000000 ] - [ 0.0001088100000000, 0.0003308900000000, 0.0008577200000000 ] - [ 0.0001461000000000, 0.0002888300000000, 0.0008097700000000 ] - [ 0.0000438700000000, -0.0002239700000000, 0.0007244500000000 ] - [ 0.0001080300000000, -0.0001711300000000, 0.0007990500000000 ] - [ -0.0003694400000000, 0.0004845300000000, 0.0003799800000000 ] - [ -0.0002640100000000, 0.0005683400000000, 0.0003557500000000 ] - [ -0.0055457600000000, 0.0036091100000000, -0.0057586600000000 ] - [ -0.0002783600000000, -0.0006221100000000, 0.0003791600000000 ] - [ 0.0019140700000000, 0.0025650200000000, -0.0014200900000000 ] - [ 0.0001363500000000, 0.0000046500000000, -0.0000468500000000 ] - [ 0.0002567500000000, 0.0000093700000000, 0.0000296200000000 ] - [ 0.0002186400000000, 0.0001263600000000, 0.0000741600000000 ] - [ -0.0002145700000000, -0.0001030700000000, 0.0001552600000000 ] - [ 0.0007051800000000, -0.0003246700000000, 0.0005177400000000 ] - [ -0.0006470300000000, -0.0000134900000000, -0.0000761300000000 ] - [ 0.0000485500000000, -0.0000243700000000, -0.0000509200000000 ] - [ 0.0006899500000000, 0.0009601600000000, -0.0001183400000000 ] - [ -0.0009426100000000, 0.0028011400000000, -0.0003785900000000 ] - [ 0.0002651600000000, -0.0006003600000000, -0.0004826400000000 ] - [ 0.0002747600000000, -0.0006177400000000, -0.0004501300000000 ] - [ -0.0002483800000000, -0.0003657600000000, 0.0007736300000000 ] - [ 0.0003886300000000, -0.0003587900000000, 0.0007272900000000 ] - [ 0.0002908900000000, 0.0001661100000000, 0.0003946700000000 ] - [ 0.0003719300000000, 0.0002047500000000, 0.0004983700000000 ] - [ 0.0067046500000000, 0.0040802300000000, -0.0013145000000000 ] - [ 0.0003521100000000, -0.0001223300000000, 0.0002377800000000 ] - [ 0.0001310400000000, -0.0000041600000000, 0.0003860300000000 ] - [ 0.0000619300000000, 0.0000402300000000, 0.0002535400000000 ] - [ -0.0003876500000000, -0.0003837300000000, -0.0008746100000000 ] - [ -0.0000747400000000, 0.0005047500000000, -0.0004536300000000 ] - [ -0.0000992500000000, -0.0004530300000000, -0.0002447800000000 ] - [ -0.0001430600000000, -0.0005507100000000, -0.0004613100000000 ] - [ -0.0006419200000000, -0.0000246500000000, 0.0002300200000000 ] - [ -0.0006956600000000, -0.0002788500000000, 0.0003681500000000 ] - [ -0.0003512300000000, -0.0006237800000000, -0.0003477400000000 ] - [ -0.0004040500000000, -0.0005141100000000, -0.0000813600000000 ] - [ -0.0007185200000000, -0.0005807200000000, 0.0011190600000000 ] - [ -0.0006716400000000, 0.0003136100000000, 0.0003139600000000 ] - [ -0.0007093200000000, 0.0032786300000000, -0.0007438500000000 ] - [ -0.0004066900000000, 0.0005248500000000, -0.0001284200000000 ] - [ 0.0015043800000000, 0.0148262600000000, 0.0061937200000000 ] - [ -0.0002944000000000, -0.0000676400000000, 0.0008147800000000 ] - [ -0.0003255900000000, 0.0000894100000000, 0.0009231100000000 ] - [ -0.0002669300000000, 0.0000863300000000, 0.0008256100000000 ] - [ 0.0002482800000000, -0.0000897000000000, -0.0006720800000000 ] - [ 0.0003123400000000, -0.0001493500000000, -0.0005833900000000 ] - [ 0.0002201100000000, 0.0001002000000000, -0.0009765200000000 ] - [ 0.0010329300000000, -0.0005759200000000, -0.0017187200000000 ] - [ 0.0001987500000000, -0.0004756400000000, -0.0000169900000000 ] - [ -0.0052911700000000, 0.0026879900000000, -0.0018309500000000 ] - [ 0.0006445600000000, -0.0005229100000000, -0.0003273100000000 ] - [ 0.0004307900000000, -0.0013001900000000, -0.0001006400000000 ] - [ 0.0004525200000000, 0.0004211100000000, 0.0001112200000000 ] - [ 0.0003717900000000, 0.0003523900000000, 0.0000690500000000 ] - [ 0.0007419800000000, 0.0003971500000000, -0.0003190600000000 ] - [ 0.0006465700000000, 0.0004513800000000, -0.0003577300000000 ] - [ 0.0001102900000000, 0.0007511300000000, 0.0004711500000000 ] - [ -0.0000480700000000, 0.0009933000000000, 0.0003569700000000 ] - [ 0.0004670300000000, -0.0007631800000000, 0.0004477700000000 ] - [ -0.0000887900000000, -0.0007993600000000, 0.0004908100000000 ] - [ -0.0001156300000000, -0.0002525600000000, -0.0002774800000000 ] - [ -0.0002531700000000, -0.0003682000000000, -0.0004569700000000 ] - [ 0.0001423400000000, 0.0004779600000000, -0.0004465100000000 ] - [ -0.0002433300000000, 0.0005060900000000, -0.0004994000000000 ] - [ 0.0001831700000000, 0.0000490300000000, -0.0008153500000000 ] - [ -0.0005022500000000, -0.0000765900000000, -0.0005051100000000 ] - [ 0.0000415800000000, 0.0002165000000000, -0.0004210100000000 ] - [ -0.0003032300000000, 0.0002477400000000, -0.0006039400000000 ]- atom: 21 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0000476600000000, 0.0002764900000000, -0.0005594900000000 ] - [ -0.0001034600000000, 0.0002316100000000, -0.0007075000000000 ] - [ 0.0000580100000000, -0.0004303200000000, -0.0009841500000000 ] - [ -0.0001165300000000, -0.0002369100000000, -0.0008144200000000 ] - [ 0.0023436100000000, 0.0010099000000000, -0.0019007700000000 ] - [ -0.0001167800000000, 0.0003475200000000, 0.0005063500000000 ] - [ -0.0000837300000000, -0.0001608500000000, 0.0007329600000000 ] - [ -0.0001241800000000, -0.0002666700000000, 0.0004743300000000 ] - [ 0.0005292400000000, -0.0007453800000000, 0.0004442400000000 ] - [ 0.0004358100000000, -0.0006737800000000, 0.0003528500000000 ] - [ -0.0004876700000000, 0.0011196800000000, -0.0011277900000000 ] - [ 0.0004544100000000, 0.0006375600000000, 0.0002548700000000 ] - [ 0.0004281400000000, -0.0012701900000000, -0.0007238300000000 ] - [ -0.0002966500000000, -0.0005688200000000, -0.0001480800000000 ] - [ -0.0002783500000000, 0.0001827100000000, 0.0001702900000000 ] - [ -0.0002880900000000, 0.0005286900000000, -0.0001762300000000 ] - [ -0.0000097400000000, 0.0001316100000000, 0.0008759000000000 ] - [ 0.0001036900000000, 0.0000759200000000, 0.0008487000000000 ] - [ 0.0000528600000000, -0.0012353000000000, 0.0005492700000000 ] - [ 0.0000979100000000, -0.0000844300000000, 0.0007914200000000 ] - [ -0.0044925500000000, 0.0285082200000000, -0.0006466100000000 ] - [ -0.0003677500000000, -0.0001361200000000, 0.0004555400000000 ] - [ -0.0004484600000000, 0.0002021000000000, 0.0004900500000000 ] - [ -0.0003622100000000, 0.0002339000000000, 0.0005059900000000 ] - [ 0.0004044100000000, -0.0002644300000000, -0.0004953000000000 ] - [ 0.0003412700000000, -0.0003332600000000, -0.0005301000000000 ] - [ 0.0004298700000000, 0.0002866100000000, -0.0005924100000000 ] - [ 0.0020777600000000, 0.0027433700000000, -0.0024474900000000 ] - [ -0.0000073600000000, 0.0000274300000000, -0.0009029100000000 ] - [ -0.0009502500000000, -0.0008483600000000, -0.0003662100000000 ] - [ -0.0000387700000000, -0.0000396100000000, -0.0008290800000000 ] - [ -0.0001382700000000, -0.0000137000000000, -0.0008417400000000 ] - [ 0.0001771300000000, -0.0004118000000000, 0.0002522000000000 ] - [ 0.0003282500000000, -0.0005903500000000, 0.0008571400000000 ] - [ 0.0003306700000000, 0.0004368300000000, 0.0001944000000000 ] - [ 0.0003531100000000, 0.0002579300000000, 0.0000589200000000 ] - [ -0.0008707000000000, 0.0000042700000000, -0.0006067800000000 ] - [ -0.0003111700000000, 0.0000655700000000, -0.0006485700000000 ] - [ -0.0004293100000000, 0.0005476300000000, -0.0002756100000000 ] - [ -0.0004841100000000, 0.0005925000000000, -0.0003478900000000 ] - [ 0.0000361500000000, 0.0001352400000000, -0.0004606400000000 ] - [ 0.0001427000000000, 0.0001343500000000, -0.0004010900000000 ] - [ 0.0001700300000000, -0.0001971000000000, -0.0004629500000000 ] - [ 0.0002047600000000, -0.0000720500000000, -0.0005772100000000 ] - [ 0.0000910700000000, 0.0000179300000000, 0.0006898200000000 ] - [ 0.0000553500000000, 0.0000608300000000, 0.0007359800000000 ] - [ 0.0001569100000000, -0.0001234000000000, 0.0008235800000000 ] - [ 0.0000927600000000, -0.0001761100000000, 0.0007487500000000 ] - [ -0.0002541700000000, 0.0006871000000000, 0.0003466500000000 ] - [ -0.0003600900000000, 0.0006042200000000, 0.0003696300000000 ] - [ 0.0048669500000000, -0.0047345000000000, 0.0064273400000000 ] - [ -0.0003456400000000, -0.0005482700000000, 0.0003462700000000 ] - [ -0.0014209100000000, -0.0027929400000000, 0.0014254300000000 ] - [ 0.0003768200000000, -0.0002292100000000, 0.0000414300000000 ] - [ 0.0002571700000000, 0.0002180200000000, -0.0000374700000000 ] - [ 0.0002954200000000, 0.0001005400000000, -0.0000802800000000 ] - [ -0.0003006000000000, -0.0001214800000000, -0.0001476300000000 ] - [ -0.0012188300000000, 0.0000997000000000, -0.0005108300000000 ] - [ 0.0001326700000000, 0.0002403800000000, 0.0000805000000000 ] - [ -0.0005639700000000, 0.0002501000000000, 0.0000557500000000 ] - [ -0.0000612900000000, 0.0002155500000000, -0.0006061500000000 ] - [ 0.0015886600000000, -0.0016190500000000, -0.0003295700000000 ] - [ 0.0003590400000000, -0.0005701500000000, -0.0002430500000000 ] - [ 0.0003494900000000, -0.0005524000000000, -0.0002759300000000 ] - [ 0.0007330800000000, -0.0000576400000000, 0.0003957400000000 ] - [ 0.0000977500000000, -0.0000636600000000, 0.0004379700000000 ] - [ 0.0001942400000000, 0.0002569600000000, 0.0007699600000000 ] - [ 0.0001109600000000, 0.0002180800000000, 0.0006661600000000 ] - [ -0.0066101900000000, -0.0042870400000000, 0.0019193600000000 ] - [ -0.0001887400000000, -0.0001135900000000, 0.0003527900000000 ] - [ 0.0000320300000000, 0.0002420200000000, 0.0002057700000000 ] - [ 0.0001006200000000, 0.0001980700000000, 0.0003372400000000 ] - [ 0.0001185700000000, 0.0016277000000000, 0.0000077300000000 ] - [ -0.0001953500000000, 0.0007331900000000, -0.0004122900000000 ] - [ -0.0001714700000000, -0.0007837800000000, -0.0006209400000000 ] - [ -0.0001276700000000, -0.0006856200000000, -0.0004050500000000 ] - [ -0.0007799800000000, -0.0006444200000000, 0.0004558200000000 ] - [ -0.0007248200000000, -0.0003919300000000, 0.0003173800000000 ] - [ -0.0004886000000000, -0.0003107100000000, 0.0001626600000000 ] - [ -0.0004354700000000, -0.0004205900000000, -0.0001030200000000 ] - [ -0.0006994600000000, 0.0012501500000000, -0.0004314200000000 ] - [ -0.0007488300000000, 0.0003593100000000, 0.0003713200000000 ] - [ -0.0001358200000000, -0.0023440600000000, 0.0005913600000000 ] - [ -0.0004333500000000, 0.0004121500000000, -0.0000565300000000 ] - [ -0.0020417500000000, -0.0141930200000000, -0.0043321000000000 ] - [ -0.0002654600000000, -0.0001038700000000, 0.0008102400000000 ] - [ -0.0002346800000000, 0.0000856900000000, 0.0007015600000000 ] - [ -0.0002926900000000, 0.0000878900000000, 0.0007997200000000 ] - [ 0.0003127700000000, -0.0000826300000000, -0.0009533500000000 ] - [ 0.0002474700000000, -0.0000231700000000, -0.0010411500000000 ] - [ 0.0003390800000000, 0.0000750400000000, -0.0006508000000000 ] - [ -0.0004939700000000, 0.0007548300000000, 0.0000942900000000 ] - [ 0.0006403200000000, -0.0004585400000000, 0.0002021200000000 ] - [ 0.0062218500000000, -0.0036133600000000, 0.0020457900000000 ] - [ 0.0007762200000000, -0.0001496900000000, -0.0003552500000000 ] - [ 0.0009870600000000, 0.0006304300000000, -0.0005849900000000 ] - [ 0.0003875700000000, 0.0005158300000000, 0.0000734900000000 ] - [ 0.0004678300000000, 0.0005842800000000, 0.0001163300000000 ] - [ 0.0006790800000000, 0.0002755300000000, -0.0003646800000000 ] - [ 0.0007742400000000, 0.0002212300000000, -0.0003262100000000 ] - [ 0.0001605300000000, 0.0004879000000000, 0.0003951400000000 ] - [ 0.0003185100000000, 0.0002470000000000, 0.0005092500000000 ] - [ -0.0001958100000000, -0.0004731000000000, 0.0004186900000000 ] - [ 0.0003586000000000, -0.0004366800000000, 0.0003764100000000 ] - [ -0.0000478000000000, 0.0000168600000000, -0.0003144800000000 ] - [ 0.0000893300000000, 0.0001315400000000, -0.0001349300000000 ] - [ -0.0003042100000000, -0.0002401900000000, -0.0001437800000000 ] - [ 0.0000807400000000, -0.0002678600000000, -0.0000919300000000 ] - [ -0.0006633200000000, -0.0004704000000000, -0.0003505800000000 ] - [ 0.0000166300000000, -0.0003439600000000, -0.0006585700000000 ] - [ -0.0005276800000000, 0.0002076800000000, -0.0007431300000000 ] - [ -0.0001807700000000, 0.0001750900000000, -0.0005598700000000 ]- atom: 21 displacement: [ -0.0007714822112317, 0.0000000000000000, 0.0099701963470011 ] forces: - [ -0.0001722700000000, 0.0001367900000000, -0.0005652900000000 ] - [ -0.0000893000000000, 0.0001660800000000, -0.0007596300000000 ] - [ 0.0000136700000000, -0.0003127200000000, -0.0009947900000000 ] - [ -0.0001043300000000, -0.0002526200000000, -0.0008518800000000 ] - [ -0.0046456600000000, 0.0036112100000000, 0.0043495500000000 ] - [ -0.0001130500000000, 0.0002675700000000, 0.0004887100000000 ] - [ -0.0001094000000000, -0.0004790600000000, 0.0007137600000000 ] - [ -0.0001553100000000, -0.0002889300000000, 0.0004700800000000 ] - [ 0.0004718700000000, -0.0006427200000000, 0.0004593600000000 ] - [ 0.0004895700000000, -0.0005835000000000, 0.0003289500000000 ] - [ 0.0026303700000000, 0.0016124500000000, 0.0001419800000000 ] - [ 0.0004131900000000, 0.0007087500000000, 0.0002420400000000 ] - [ -0.0002367400000000, -0.0006006200000000, -0.0000242000000000 ] - [ -0.0002967100000000, -0.0005513000000000, -0.0001451700000000 ] - [ -0.0002369300000000, 0.0004260800000000, 0.0009589800000000 ] - [ -0.0003215500000000, 0.0005411600000000, -0.0001663000000000 ] - [ 0.0000515500000000, -0.0000429000000000, 0.0010062900000000 ] - [ 0.0000922400000000, 0.0000563700000000, 0.0008586100000000 ] - [ 0.0000827300000000, 0.0000518700000000, 0.0004067000000000 ] - [ 0.0000647100000000, -0.0000694400000000, 0.0007567200000000 ] - [ 0.0092410000000000, 0.0003756700000000, -0.0257958400000000 ] - [ -0.0003971800000000, -0.0001909700000000, 0.0004498700000000 ] - [ -0.0004098900000000, 0.0002312500000000, 0.0005600000000000 ] - [ -0.0003609600000000, 0.0002404800000000, 0.0005207900000000 ] - [ 0.0003705800000000, -0.0002331800000000, -0.0004605400000000 ] - [ 0.0003856700000000, -0.0002631200000000, -0.0004461100000000 ] - [ 0.0004304700000000, 0.0003318200000000, -0.0005851800000000 ] - [ -0.0072895700000000, 0.0023143400000000, 0.0042168600000000 ] - [ -0.0000267600000000, 0.0000090800000000, -0.0009514700000000 ] - [ 0.0000333100000000, -0.0001220800000000, -0.0012983300000000 ] - [ -0.0000689700000000, -0.0000459400000000, -0.0007791700000000 ] - [ 0.0000171400000000, -0.0000047700000000, -0.0006887600000000 ] - [ 0.0002051500000000, -0.0004613600000000, 0.0002153100000000 ] - [ 0.0007045800000000, -0.0006452900000000, 0.0003119300000000 ] - [ 0.0003888700000000, 0.0004587900000000, 0.0001663300000000 ] - [ 0.0001691700000000, 0.0005429400000000, 0.0002867800000000 ] - [ -0.0007668700000000, -0.0002383200000000, -0.0004312100000000 ] - [ -0.0004389600000000, -0.0004087000000000, -0.0004130900000000 ] - [ -0.0004414000000000, 0.0005313300000000, -0.0001978300000000 ] - [ -0.0004818700000000, 0.0005684900000000, -0.0002608200000000 ] - [ 0.0000651300000000, 0.0002102400000000, -0.0004285200000000 ] - [ 0.0001731400000000, 0.0002580700000000, -0.0004307000000000 ] - [ 0.0002422500000000, -0.0002095600000000, -0.0004751000000000 ] - [ -0.0000317600000000, -0.0001984700000000, -0.0003643200000000 ] - [ 0.0000869800000000, 0.0000440000000000, 0.0006256200000000 ] - [ 0.0001334100000000, 0.0000658400000000, 0.0007158600000000 ] - [ 0.0001943000000000, -0.0001377900000000, 0.0009195400000000 ] - [ 0.0000930800000000, -0.0001581100000000, 0.0008299700000000 ] - [ -0.0003546200000000, 0.0012110900000000, 0.0007991800000000 ] - [ -0.0002890300000000, 0.0005812000000000, 0.0004418000000000 ] - [ 0.0020511900000000, -0.0070501600000000, -0.0024771100000000 ] - [ -0.0004590200000000, -0.0006192600000000, 0.0002513800000000 ] - [ -0.0007928400000000, -0.0021092500000000, 0.0011306800000000 ] - [ 0.0002459300000000, -0.0000542200000000, 0.0001526100000000 ] - [ 0.0004081100000000, 0.0005307900000000, 0.0003772100000000 ] - [ 0.0002746700000000, 0.0001082600000000, -0.0000027300000000 ] - [ -0.0003062900000000, -0.0001786000000000, 0.0001373200000000 ] - [ -0.0000500000000000, -0.0000461400000000, 0.0001669000000000 ] - [ 0.0000838500000000, 0.0001493800000000, -0.0000809400000000 ] - [ -0.0007236500000000, -0.0001685100000000, 0.0001756400000000 ] - [ -0.0003689100000000, 0.0004009100000000, -0.0005614300000000 ] - [ -0.0008571900000000, -0.0002745200000000, -0.0010694700000000 ] - [ 0.0003921000000000, -0.0005861500000000, -0.0001805900000000 ] - [ 0.0003171500000000, -0.0005221900000000, -0.0001821900000000 ] - [ 0.0005917400000000, -0.0003386200000000, 0.0005046500000000 ] - [ 0.0003154600000000, -0.0002580100000000, 0.0005898500000000 ] - [ -0.0000153900000000, 0.0000277000000000, 0.0005769000000000 ] - [ 0.0002855700000000, 0.0001855700000000, 0.0005614600000000 ] - [ -0.0053946600000000, -0.0017595400000000, 0.0034210400000000 ] - [ -0.0000000700000000, -0.0001384000000000, 0.0003044300000000 ] - [ 0.0000057600000000, 0.0000142200000000, 0.0001095200000000 ] - [ 0.0000809800000000, 0.0001471900000000, 0.0002972200000000 ] - [ 0.0000281500000000, 0.0011695100000000, 0.0000399400000000 ] - [ -0.0003444700000000, 0.0007033700000000, -0.0005302300000000 ] - [ -0.0002024800000000, -0.0007050600000000, -0.0009310500000000 ] - [ -0.0001419600000000, -0.0006529300000000, -0.0004327600000000 ] - [ -0.0002903600000000, -0.0009014300000000, -0.0007452200000000 ] - [ -0.0007092400000000, -0.0003532800000000, 0.0003107800000000 ] - [ -0.0004725500000000, -0.0004425600000000, -0.0001894600000000 ] - [ -0.0004148900000000, -0.0004509600000000, -0.0001348700000000 ] - [ -0.0005108400000000, 0.0011564800000000, 0.0008982700000000 ] - [ -0.0007057800000000, 0.0003901000000000, 0.0003756600000000 ] - [ -0.0021726500000000, 0.0020375400000000, 0.0082610700000000 ] - [ -0.0004048200000000, 0.0004356800000000, -0.0000394700000000 ] - [ -0.0000908200000000, 0.0033935800000000, 0.0050184000000000 ] - [ -0.0002163600000000, -0.0000770900000000, 0.0009094500000000 ] - [ -0.0003611400000000, 0.0000910100000000, 0.0001601200000000 ] - [ -0.0002957700000000, 0.0000850400000000, 0.0007434100000000 ] - [ 0.0002976900000000, -0.0000925100000000, -0.0009685200000000 ] - [ 0.0001558600000000, -0.0000524400000000, -0.0010317400000000 ] - [ 0.0004444900000000, 0.0000380000000000, -0.0005033700000000 ] - [ 0.0014367400000000, -0.0007985800000000, -0.0006965800000000 ] - [ 0.0005721800000000, -0.0005500600000000, 0.0001435500000000 ] - [ 0.0057518600000000, -0.0016302100000000, 0.0041416200000000 ] - [ 0.0009009100000000, -0.0000620500000000, -0.0004214000000000 ] - [ 0.0009019400000000, -0.0002889100000000, -0.0003610300000000 ] - [ 0.0003756000000000, 0.0004959200000000, 0.0000192700000000 ] - [ 0.0004710700000000, 0.0005180100000000, -0.0000304800000000 ] - [ 0.0006659800000000, 0.0003018100000000, -0.0004102100000000 ] - [ 0.0007860200000000, 0.0002313100000000, -0.0005282700000000 ] - [ 0.0001396200000000, 0.0006207100000000, 0.0003102700000000 ] - [ 0.0000720500000000, 0.0005897700000000, 0.0003993400000000 ] - [ -0.0001970100000000, -0.0004228600000000, 0.0004423300000000 ] - [ 0.0002898000000000, -0.0004818900000000, 0.0006028000000000 ] - [ -0.0000475600000000, -0.0001506200000000, -0.0003884400000000 ] - [ -0.0001250400000000, -0.0001190700000000, -0.0003612600000000 ] - [ -0.0004674300000000, -0.0000546400000000, -0.0000699200000000 ] - [ 0.0005138500000000, 0.0000842500000000, -0.0002813100000000 ] - [ -0.0000020800000000, -0.0003980600000000, -0.0006075200000000 ] - [ -0.0002835100000000, -0.0002100500000000, -0.0005900900000000 ] - [ -0.0008266000000000, 0.0004648700000000, -0.0007773400000000 ] - [ -0.0000100000000000, 0.0002163600000000, -0.0006754800000000 ]- atom: 21 displacement: [ 0.0007714822112317, 0.0000000000000000, -0.0099701963470011 ] forces: - [ -0.0000314900000000, 0.0002103400000000, -0.0009827800000000 ] - [ -0.0001117000000000, 0.0001819900000000, -0.0007889900000000 ] - [ -0.0002151500000000, -0.0000340700000000, -0.0005524000000000 ] - [ -0.0000967000000000, -0.0000941200000000, -0.0006958000000000 ] - [ 0.0043086500000000, -0.0030462000000000, -0.0033571400000000 ] - [ -0.0001394400000000, 0.0002392200000000, 0.0004574600000000 ] - [ -0.0001433800000000, -0.0000293300000000, 0.0002329100000000 ] - [ -0.0000965800000000, -0.0002182300000000, 0.0004756600000000 ] - [ 0.0004745900000000, -0.0005473900000000, 0.0001708300000000 ] - [ 0.0004573400000000, -0.0006067300000000, 0.0003010200000000 ] - [ -0.0016962900000000, -0.0004248300000000, 0.0004872400000000 ] - [ 0.0005336600000000, 0.0004822500000000, 0.0003886600000000 ] - [ -0.0003443200000000, -0.0004171800000000, -0.0003249100000000 ] - [ -0.0002859800000000, -0.0004674100000000, -0.0002001800000000 ] - [ -0.0003441600000000, 0.0005917600000000, -0.0012972900000000 ] - [ -0.0002611300000000, 0.0004759000000000, -0.0001788700000000 ] - [ 0.0001072400000000, 0.0001449200000000, 0.0006548300000000 ] - [ 0.0000659200000000, 0.0000479400000000, 0.0008010000000000 ] - [ 0.0000756500000000, -0.0001567100000000, 0.0012558900000000 ] - [ 0.0000936900000000, -0.0000363000000000, 0.0009034200000000 ] - [ -0.0098708600000000, -0.0009645800000000, 0.0275576500000000 ] - [ -0.0003623200000000, -0.0002857000000000, 0.0005545000000000 ] - [ -0.0003493600000000, 0.0002451000000000, 0.0004438800000000 ] - [ -0.0003984900000000, 0.0002357800000000, 0.0004829900000000 ] - [ 0.0003886500000000, -0.0002428300000000, -0.0005440700000000 ] - [ 0.0003743000000000, -0.0002135600000000, -0.0005585000000000 ] - [ 0.0003288700000000, 0.0001433700000000, -0.0004191600000000 ] - [ 0.0081460300000000, -0.0018599500000000, -0.0052642700000000 ] - [ -0.0001312800000000, 0.0000931200000000, -0.0007089300000000 ] - [ -0.0001911600000000, 0.0002244700000000, -0.0003588200000000 ] - [ -0.0000889300000000, -0.0000568700000000, -0.0008814900000000 ] - [ -0.0001728200000000, -0.0000988900000000, -0.0009707800000000 ] - [ 0.0003772700000000, -0.0005560300000000, 0.0001278600000000 ] - [ -0.0001164700000000, -0.0003742700000000, 0.0000305800000000 ] - [ 0.0001929300000000, 0.0005601000000000, 0.0001777300000000 ] - [ 0.0004141000000000, 0.0004754000000000, 0.0000567100000000 ] - [ -0.0001790300000000, -0.0009566000000000, -0.0001990300000000 ] - [ -0.0005105900000000, -0.0007849400000000, -0.0002152400000000 ] - [ -0.0005064900000000, 0.0006585700000000, -0.0004331400000000 ] - [ -0.0004651000000000, 0.0006216900000000, -0.0003705600000000 ] - [ 0.0001869300000000, 0.0002963600000000, -0.0005183000000000 ] - [ 0.0000789600000000, 0.0002485800000000, -0.0005171100000000 ] - [ 0.0000090000000000, -0.0002965500000000, -0.0004710200000000 ] - [ 0.0002848100000000, -0.0003091300000000, -0.0005828800000000 ] - [ 0.0001141400000000, 0.0003043000000000, 0.0009217000000000 ] - [ 0.0000666600000000, 0.0002819800000000, 0.0008313600000000 ] - [ 0.0000064600000000, -0.0002104000000000, 0.0006277000000000 ] - [ 0.0001080800000000, -0.0001903500000000, 0.0007168400000000 ] - [ -0.0002741200000000, -0.0000281200000000, -0.0000719200000000 ] - [ -0.0003370000000000, 0.0005900400000000, 0.0002827300000000 ] - [ -0.0026818000000000, 0.0058801600000000, 0.0032310100000000 ] - [ -0.0001666200000000, -0.0005522500000000, 0.0004740800000000 ] - [ 0.0012959300000000, 0.0018782800000000, -0.0011499200000000 ] - [ 0.0002689700000000, -0.0001712200000000, -0.0001590900000000 ] - [ 0.0001081200000000, -0.0003049800000000, -0.0003846700000000 ] - [ 0.0002412400000000, 0.0001172900000000, -0.0000034100000000 ] - [ -0.0002107200000000, -0.0000477300000000, -0.0001324400000000 ] - [ -0.0004641800000000, -0.0001792700000000, -0.0001642500000000 ] - [ -0.0005992000000000, 0.0000763600000000, 0.0000841500000000 ] - [ 0.0002084100000000, 0.0003958600000000, -0.0001710300000000 ] - [ 0.0010003800000000, 0.0007732900000000, -0.0001627900000000 ] - [ 0.0014881300000000, 0.0014508400000000, 0.0003612500000000 ] - [ 0.0002339500000000, -0.0005854800000000, -0.0005458900000000 ] - [ 0.0003106100000000, -0.0006494400000000, -0.0005436100000000 ] - [ -0.0001104000000000, -0.0000834000000000, 0.0006646900000000 ] - [ 0.0001673300000000, -0.0001647500000000, 0.0005765500000000 ] - [ 0.0004982700000000, 0.0003948500000000, 0.0005882300000000 ] - [ 0.0001956900000000, 0.0002361600000000, 0.0006032100000000 ] - [ 0.0055337900000000, 0.0015178700000000, -0.0028755400000000 ] - [ 0.0001643000000000, -0.0000984100000000, 0.0002836700000000 ] - [ 0.0001569800000000, 0.0002218600000000, 0.0004791100000000 ] - [ 0.0000810000000000, 0.0000891700000000, 0.0002911600000000 ] - [ -0.0002986200000000, 0.0000676000000000, -0.0009078600000000 ] - [ 0.0000738000000000, 0.0005331900000000, -0.0003384400000000 ] - [ -0.0000690200000000, -0.0005315200000000, 0.0000596600000000 ] - [ -0.0001295800000000, -0.0005840500000000, -0.0004360600000000 ] - [ -0.0011205600000000, 0.0002185400000000, 0.0014119100000000 ] - [ -0.0007100700000000, -0.0003201000000000, 0.0003740700000000 ] - [ -0.0003674100000000, -0.0004937500000000, 0.0000068200000000 ] - [ -0.0004233700000000, -0.0004834800000000, -0.0000489100000000 ] - [ -0.0009063200000000, -0.0004870300000000, -0.0002135000000000 ] - [ -0.0007137000000000, 0.0002827500000000, 0.0003088500000000 ] - [ 0.0012626800000000, -0.0009959000000000, -0.0090392900000000 ] - [ -0.0004339900000000, 0.0004984600000000, -0.0001452400000000 ] - [ -0.0004747100000000, -0.0035774200000000, -0.0034247400000000 ] - [ -0.0003423200000000, -0.0000968700000000, 0.0007143700000000 ] - [ -0.0001980900000000, 0.0000814300000000, 0.0014597300000000 ] - [ -0.0002626200000000, 0.0000886800000000, 0.0008810100000000 ] - [ 0.0002610400000000, -0.0000815700000000, -0.0006564100000000 ] - [ 0.0004011300000000, -0.0001206800000000, -0.0005931800000000 ] - [ 0.0001129000000000, 0.0001360700000000, -0.0011235300000000 ] - [ -0.0008873700000000, 0.0009822700000000, -0.0009294400000000 ] - [ 0.0002645300000000, -0.0003839700000000, 0.0000397400000000 ] - [ -0.0049343700000000, 0.0007031100000000, -0.0040286600000000 ] - [ 0.0005172900000000, -0.0006131600000000, -0.0002626600000000 ] - [ 0.0005181100000000, -0.0003864200000000, -0.0003255000000000 ] - [ 0.0004630400000000, 0.0004379700000000, 0.0001640600000000 ] - [ 0.0003668000000000, 0.0004157600000000, 0.0002137700000000 ] - [ 0.0007536600000000, 0.0003713100000000, -0.0002748200000000 ] - [ 0.0006326300000000, 0.0004422600000000, -0.0001571800000000 ] - [ 0.0001324100000000, 0.0006163000000000, 0.0005576800000000 ] - [ 0.0001979900000000, 0.0006468800000000, 0.0004697500000000 ] - [ 0.0004698600000000, -0.0008146600000000, 0.0004260800000000 ] - [ -0.0000191700000000, -0.0007559900000000, 0.0002637900000000 ] - [ -0.0001135600000000, -0.0000868600000000, -0.0002005000000000 ] - [ -0.0000380300000000, -0.0001178600000000, -0.0002278200000000 ] - [ 0.0003074100000000, 0.0002905300000000, -0.0005193900000000 ] - [ -0.0006810300000000, 0.0001511500000000, -0.0003078900000000 ] - [ -0.0004767800000000, -0.0000252300000000, -0.0005572400000000 ] - [ -0.0001985800000000, -0.0002111200000000, -0.0005749700000000 ] - [ 0.0003427000000000, -0.0000424900000000, -0.0003898400000000 ] - [ -0.0004724500000000, 0.0002048500000000, -0.0004902400000000 ]- atom: 49 displacement: [ 0.0099872533903921, 0.0000000000000000, -0.0005047471803797 ] forces: - [ -0.0031874300000000, 0.0034708100000000, 0.0006865800000000 ] - [ 0.0003197900000000, 0.0002308700000000, -0.0008100700000000 ] - [ -0.0005445300000000, -0.0002181100000000, -0.0010816000000000 ] - [ 0.0000191100000000, -0.0002503700000000, -0.0007151000000000 ] - [ -0.0017654900000000, 0.0010020400000000, -0.0016615400000000 ] - [ 0.0001790200000000, 0.0001826500000000, 0.0006143900000000 ] - [ -0.0031942200000000, 0.0009648000000000, 0.0009859100000000 ] - [ 0.0001034100000000, -0.0002840000000000, 0.0004741400000000 ] - [ -0.0028913800000000, -0.0021604200000000, 0.0015209600000000 ] - [ 0.0008730500000000, -0.0006435700000000, 0.0002877700000000 ] - [ 0.0000965200000000, 0.0005783400000000, -0.0000006000000000 ] - [ 0.0005790500000000, 0.0006784600000000, 0.0003701100000000 ] - [ -0.0012809500000000, -0.0012853900000000, -0.0022699200000000 ] - [ 0.0000439200000000, -0.0004669200000000, -0.0000550800000000 ] - [ -0.0029353200000000, -0.0010841300000000, 0.0003589100000000 ] - [ -0.0000486100000000, 0.0005338800000000, -0.0001774900000000 ] - [ 0.0008064000000000, -0.0012351700000000, 0.0019490400000000 ] - [ 0.0005395900000000, 0.0000748800000000, 0.0006519400000000 ] - [ 0.0002408700000000, 0.0000680400000000, 0.0007922000000000 ] - [ 0.0003242000000000, -0.0000384900000000, 0.0008720400000000 ] - [ -0.0002069300000000, -0.0002953300000000, 0.0004550600000000 ] - [ -0.0002320900000000, -0.0001891300000000, 0.0005336000000000 ] - [ 0.0002736100000000, 0.0051334400000000, 0.0030671300000000 ] - [ -0.0000846200000000, 0.0002040600000000, 0.0003851900000000 ] - [ 0.0015920600000000, -0.0005976000000000, -0.0010796000000000 ] - [ 0.0016200100000000, 0.0010337000000000, -0.0015517600000000 ] - [ 0.0005057400000000, 0.0001975500000000, -0.0004227900000000 ] - [ 0.0005397100000000, 0.0002034000000000, -0.0004957300000000 ] - [ 0.0001580900000000, 0.0000323100000000, -0.0006506500000000 ] - [ 0.0001392300000000, 0.0000900500000000, -0.0008475100000000 ] - [ 0.0011678400000000, -0.0001828700000000, -0.0016682300000000 ] - [ 0.0057913400000000, -0.0036600900000000, -0.0000102300000000 ] - [ -0.0000291900000000, 0.0008259000000000, 0.0010961100000000 ] - [ 0.0003644500000000, -0.0004488000000000, 0.0000466500000000 ] - [ 0.0001778800000000, 0.0004246700000000, 0.0000183300000000 ] - [ 0.0004415500000000, 0.0005557500000000, 0.0005274500000000 ] - [ -0.0007797200000000, 0.0002380000000000, 0.0000143400000000 ] - [ -0.0003356300000000, -0.0006491000000000, -0.0003993100000000 ] - [ 0.0001387400000000, -0.0007911700000000, -0.0020975100000000 ] - [ 0.0000217800000000, 0.0005375900000000, -0.0002507000000000 ] - [ -0.0002920700000000, -0.0010677400000000, 0.0003782100000000 ] - [ 0.0002840600000000, 0.0002354400000000, -0.0006147200000000 ] - [ -0.0000472100000000, -0.0001572800000000, -0.0006462400000000 ] - [ 0.0002779100000000, -0.0002598700000000, -0.0001090300000000 ] - [ -0.0002848100000000, -0.0007226600000000, 0.0011158700000000 ] - [ 0.0002336000000000, 0.0002290500000000, 0.0006906300000000 ] - [ 0.0005181800000000, 0.0013033400000000, -0.0010275600000000 ] - [ 0.0005257900000000, -0.0000798500000000, 0.0008124800000000 ] - [ -0.1060043700000000, -0.0025179700000000, 0.0018811700000000 ] - [ 0.0003956700000000, 0.0005567900000000, 0.0002813400000000 ] - [ -0.0021250100000000, -0.0006334300000000, 0.0001656100000000 ] - [ -0.0000668300000000, -0.0006329500000000, 0.0006156400000000 ] - [ -0.0007620600000000, -0.0003034700000000, -0.0019360600000000 ] - [ 0.0007948900000000, -0.0000854300000000, 0.0000112300000000 ] - [ 0.0009530900000000, 0.0000064400000000, 0.0001118100000000 ] - [ 0.0006842500000000, 0.0001262000000000, -0.0000190200000000 ] - [ 0.0040802400000000, -0.0006253200000000, 0.0053422200000000 ] - [ 0.0009838800000000, -0.0000613200000000, -0.0005823500000000 ] - [ 0.0017621600000000, 0.0002001800000000, -0.0007916000000000 ] - [ 0.0010048700000000, -0.0000214600000000, 0.0014621000000000 ] - [ -0.0009949500000000, 0.0005033800000000, -0.0003795800000000 ] - [ 0.0007766500000000, 0.0006088100000000, -0.0004225400000000 ] - [ -0.0007266300000000, -0.0004680500000000, -0.0010301700000000 ] - [ 0.0008890200000000, -0.0005812000000000, -0.0007167300000000 ] - [ 0.0026696900000000, -0.0001279900000000, 0.0002603100000000 ] - [ -0.0004184200000000, -0.0002276900000000, 0.0008280400000000 ] - [ 0.0006540900000000, 0.0002267500000000, 0.0004422000000000 ] - [ -0.0002889000000000, 0.0002111000000000, 0.0004812700000000 ] - [ 0.0010316900000000, -0.0003857300000000, 0.0014692300000000 ] - [ -0.0001717900000000, -0.0001779300000000, 0.0002609100000000 ] - [ 0.0017659600000000, 0.0000552000000000, 0.0003083900000000 ] - [ -0.0003832200000000, 0.0002144000000000, 0.0002590500000000 ] - [ 0.0007816100000000, 0.0009488800000000, 0.0007020600000000 ] - [ -0.0004118400000000, 0.0006211400000000, -0.0004833900000000 ] - [ 0.0009266500000000, -0.0008467800000000, -0.0004289200000000 ] - [ -0.0006361100000000, -0.0006765700000000, -0.0004405900000000 ] - [ 0.0306398800000000, -0.0265035900000000, -0.0162408100000000 ] - [ -0.0016768700000000, -0.0002519300000000, 0.0004183300000000 ] - [ 0.0296657200000000, 0.0253205000000000, -0.0145233900000000 ] - [ -0.0012048000000000, -0.0005292700000000, -0.0000151800000000 ] - [ -0.0000827100000000, 0.0001793100000000, -0.0003066400000000 ] - [ -0.0008580800000000, 0.0004159300000000, 0.0002698700000000 ] - [ 0.0001944600000000, 0.0006018700000000, -0.0007317500000000 ] - [ -0.0005941600000000, 0.0004247900000000, -0.0001566700000000 ] - [ 0.0002796100000000, -0.0000744300000000, 0.0015350900000000 ] - [ -0.0008584500000000, -0.0000956900000000, 0.0004622400000000 ] - [ 0.0394992200000000, 0.0010212100000000, 0.0282845600000000 ] - [ -0.0008459600000000, 0.0001409200000000, 0.0009613700000000 ] - [ 0.0000547500000000, 0.0000974300000000, -0.0005482700000000 ] - [ -0.0001496000000000, -0.0002217000000000, -0.0004102700000000 ] - [ 0.0003932900000000, 0.0000910200000000, -0.0008950700000000 ] - [ 0.0002151900000000, 0.0000709600000000, -0.0008016500000000 ] - [ 0.0006742600000000, -0.0010261700000000, -0.0002882100000000 ] - [ 0.0001526600000000, -0.0003433000000000, 0.0002161500000000 ] - [ 0.0009065900000000, 0.0003730000000000, -0.0008192400000000 ] - [ 0.0004655800000000, -0.0004670000000000, -0.0002370000000000 ] - [ 0.0002921600000000, 0.0008459100000000, 0.0006224300000000 ] - [ -0.0003906300000000, -0.0001757000000000, -0.0001347200000000 ] - [ 0.0005714900000000, -0.0001917300000000, 0.0002192900000000 ] - [ -0.0000028500000000, 0.0009989800000000, -0.0006242800000000 ] - [ -0.0012697400000000, 0.0005078600000000, -0.0009033900000000 ] - [ -0.0004901900000000, 0.0008376300000000, 0.0007786500000000 ] - [ 0.0002762200000000, -0.0002388500000000, 0.0006432000000000 ] - [ 0.0000237700000000, -0.0004106400000000, 0.0004249900000000 ] - [ -0.0012830400000000, 0.0007948700000000, -0.0015361700000000 ] - [ -0.0008159100000000, -0.0002074100000000, -0.0001096400000000 ] - [ 0.0000687500000000, -0.0003484600000000, 0.0001191800000000 ] - [ -0.0001380200000000, -0.0001045100000000, -0.0003111900000000 ] - [ 0.0013760800000000, -0.0000450700000000, -0.0033676800000000 ] - [ -0.0012048700000000, -0.0002026300000000, -0.0003259000000000 ] - [ -0.0008839700000000, 0.0003420400000000, 0.0013214800000000 ] - [ -0.0009204100000000, 0.0002068800000000, -0.0007033800000000 ]- atom: 49 displacement: [ -0.0099872533903921, 0.0000000000000000, 0.0005047471803797 ] forces: - [ 0.0030234200000000, -0.0031068100000000, -0.0022250000000000 ] - [ -0.0005252600000000, 0.0001155400000000, -0.0007364100000000 ] - [ 0.0003462100000000, -0.0001277500000000, -0.0004640400000000 ] - [ -0.0002239100000000, -0.0000968200000000, -0.0008328400000000 ] - [ 0.0015230900000000, -0.0004949700000000, 0.0026321600000000 ] - [ -0.0004346900000000, 0.0003241700000000, 0.0003293300000000 ] - [ 0.0029452300000000, -0.0014691500000000, -0.0000579100000000 ] - [ -0.0003599000000000, -0.0002230100000000, 0.0004724300000000 ] - [ 0.0038677500000000, 0.0009580200000000, -0.0008813200000000 ] - [ 0.0000688600000000, -0.0005460300000000, 0.0003441800000000 ] - [ 0.0008522000000000, 0.0006120400000000, 0.0006326700000000 ] - [ 0.0003631600000000, 0.0005127700000000, 0.0002604700000000 ] - [ 0.0007133600000000, 0.0002725600000000, 0.0019443800000000 ] - [ -0.0006304500000000, -0.0005521600000000, -0.0002915800000000 ] - [ 0.0023566000000000, 0.0021029500000000, -0.0007284200000000 ] - [ -0.0005384500000000, 0.0004834700000000, -0.0001665000000000 ] - [ -0.0006405900000000, 0.0013460400000000, -0.0003043400000000 ] - [ -0.0003889100000000, 0.0000297500000000, 0.0010109900000000 ] - [ -0.0000817000000000, -0.0001671100000000, 0.0008687300000000 ] - [ -0.0001718100000000, -0.0000612800000000, 0.0007872800000000 ] - [ -0.0005504700000000, -0.0001810500000000, 0.0005526600000000 ] - [ -0.0005299700000000, -0.0002875300000000, 0.0004702200000000 ] - [ -0.0010534300000000, -0.0046479800000000, -0.0020653800000000 ] - [ -0.0006788900000000, 0.0002725100000000, 0.0006206000000000 ] - [ -0.0008520100000000, 0.0001257700000000, 0.0000842300000000 ] - [ -0.0008768200000000, -0.0014950900000000, 0.0005305100000000 ] - [ 0.0002514100000000, 0.0002800600000000, -0.0005827000000000 ] - [ 0.0002230100000000, 0.0002717300000000, -0.0005084600000000 ] - [ -0.0003182900000000, 0.0000722200000000, -0.0010110600000000 ] - [ -0.0002948800000000, 0.0000162300000000, -0.0008123800000000 ] - [ -0.0013445700000000, 0.0000843500000000, 0.0000209500000000 ] - [ -0.0058875300000000, 0.0034991700000000, -0.0016269400000000 ] - [ 0.0006122300000000, -0.0018631000000000, -0.0007668500000000 ] - [ 0.0002050700000000, -0.0005674700000000, 0.0003024200000000 ] - [ 0.0004065900000000, 0.0005952500000000, 0.0003282700000000 ] - [ 0.0001401200000000, 0.0004612600000000, -0.0001851900000000 ] - [ -0.0001647300000000, -0.0014338500000000, -0.0006487100000000 ] - [ -0.0006131000000000, -0.0005438500000000, -0.0002338800000000 ] - [ -0.0010837200000000, 0.0019974600000000, 0.0014882600000000 ] - [ -0.0009733700000000, 0.0006524000000000, -0.0003789900000000 ] - [ 0.0005451600000000, 0.0015925600000000, -0.0013371400000000 ] - [ -0.0000411700000000, 0.0002705100000000, -0.0003275500000000 ] - [ 0.0003024800000000, -0.0003510300000000, -0.0002965700000000 ] - [ -0.0000266800000000, -0.0002451600000000, -0.0008382800000000 ] - [ 0.0004881100000000, 0.0010744400000000, 0.0004278700000000 ] - [ -0.0000356700000000, 0.0001188200000000, 0.0008545400000000 ] - [ -0.0003111400000000, -0.0016675200000000, 0.0025967100000000 ] - [ -0.0003291100000000, -0.0002685300000000, 0.0007362900000000 ] - [ 0.1041517600000000, 0.0037225800000000, -0.0014341500000000 ] - [ -0.0010337300000000, 0.0006156100000000, 0.0004461300000000 ] - [ 0.0015106500000000, -0.0005380300000000, 0.0005659500000000 ] - [ -0.0005679200000000, -0.0005384100000000, 0.0001030600000000 ] - [ 0.0013098000000000, 0.0000785900000000, 0.0019471300000000 ] - [ -0.0002858300000000, -0.0001400600000000, -0.0000176000000000 ] - [ -0.0004458600000000, 0.0002187400000000, -0.0001322600000000 ] - [ -0.0001766100000000, 0.0000985400000000, 0.0000145600000000 ] - [ -0.0046427200000000, 0.0004101400000000, -0.0054467500000000 ] - [ -0.0015061600000000, -0.0001607300000000, 0.0005927700000000 ] - [ -0.0023003100000000, 0.0000248500000000, 0.0008110700000000 ] - [ -0.0015506100000000, 0.0002480400000000, -0.0014790800000000 ] - [ 0.0016353100000000, 0.0006689400000000, -0.0003477600000000 ] - [ -0.0001524400000000, 0.0005621800000000, -0.0003031400000000 ] - [ 0.0013691700000000, -0.0007061100000000, 0.0003175300000000 ] - [ -0.0002758300000000, -0.0005916000000000, -0.0000223600000000 ] - [ -0.0022120900000000, -0.0002933600000000, 0.0009123100000000 ] - [ 0.0009092000000000, -0.0001936000000000, 0.0003345800000000 ] - [ -0.0001807900000000, 0.0001954500000000, 0.0007274700000000 ] - [ 0.0007796800000000, 0.0002100400000000, 0.0006824700000000 ] - [ -0.0008809400000000, 0.0001545100000000, -0.0008860200000000 ] - [ 0.0003391600000000, -0.0000587800000000, 0.0003312800000000 ] - [ -0.0016071200000000, 0.0001821100000000, 0.0002865000000000 ] - [ 0.0005520800000000, 0.0000203700000000, 0.0003302500000000 ] - [ -0.0010653800000000, 0.0002824000000000, -0.0015790300000000 ] - [ 0.0001453200000000, 0.0006166000000000, -0.0003819600000000 ] - [ -0.0012024800000000, -0.0003911200000000, -0.0004334800000000 ] - [ 0.0003720000000000, -0.0005595700000000, -0.0004279000000000 ] - [ -0.0317771600000000, 0.0251083600000000, 0.0165474000000000 ] - [ 0.0002719200000000, -0.0004227300000000, 0.0002654300000000 ] - [ -0.0302495100000000, -0.0255912900000000, 0.0139849100000000 ] - [ 0.0003771900000000, -0.0004044200000000, -0.0001704300000000 ] - [ -0.0013431700000000, 0.0004906000000000, 0.0009900700000000 ] - [ -0.0005588500000000, 0.0002561200000000, 0.0004160400000000 ] - [ -0.0010398900000000, 0.0003345200000000, 0.0005466000000000 ] - [ -0.0002410900000000, 0.0005093200000000, -0.0000268000000000 ] - [ -0.0008477000000000, -0.0000996800000000, 0.0000842900000000 ] - [ 0.0003079400000000, -0.0000779700000000, 0.0011705000000000 ] - [ -0.0393954700000000, -0.0008187200000000, -0.0256406800000000 ] - [ 0.0002961300000000, 0.0000317700000000, 0.0006605500000000 ] - [ 0.0005097000000000, -0.0002735800000000, -0.0010816600000000 ] - [ 0.0007342100000000, 0.0000477000000000, -0.0012042200000000 ] - [ 0.0001662200000000, 0.0000827000000000, -0.0007269500000000 ] - [ 0.0003427100000000, 0.0001028400000000, -0.0008233500000000 ] - [ 0.0001630900000000, 0.0000981900000000, 0.0004798900000000 ] - [ 0.0006880600000000, -0.0005930700000000, -0.0000346300000000 ] - [ 0.0005127000000000, -0.0010537200000000, 0.0001420600000000 ] - [ 0.0009561500000000, -0.0002040500000000, -0.0004505100000000 ] - [ 0.0005487200000000, 0.0000838100000000, -0.0004464700000000 ] - [ 0.0012326600000000, 0.0011086900000000, 0.0003241200000000 ] - [ 0.0008507100000000, 0.0008713800000000, -0.0009127800000000 ] - [ 0.0014246100000000, -0.0003228500000000, -0.0000569000000000 ] - [ 0.0015525300000000, 0.0007272700000000, 0.0017992300000000 ] - [ 0.0007657300000000, 0.0004046100000000, 0.0000903200000000 ] - [ -0.0000065000000000, -0.0010015500000000, 0.0002205000000000 ] - [ 0.0002550200000000, -0.0008135100000000, 0.0004544400000000 ] - [ 0.0011351800000000, -0.0010392000000000, 0.0009685500000000 ] - [ 0.0006609700000000, -0.0000351800000000, -0.0004797700000000 ] - [ -0.0002327300000000, 0.0005881500000000, -0.0007137200000000 ] - [ -0.0000156500000000, 0.0003253900000000, -0.0002657800000000 ] - [ -0.0019026800000000, -0.0003754800000000, 0.0022168300000000 ] - [ 0.0007307600000000, -0.0002196200000000, -0.0008407700000000 ] - [ 0.0004145100000000, 0.0000773700000000, -0.0025180200000000 ] - [ 0.0004528900000000, 0.0002147000000000, -0.0004675600000000 ]- atom: 49 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0042739400000000, 0.0061027100000000, -0.0007913500000000 ] - [ -0.0001922000000000, 0.0003462300000000, -0.0007959900000000 ] - [ -0.0001437200000000, -0.0002371100000000, -0.0007974400000000 ] - [ -0.0000558200000000, -0.0001467600000000, -0.0007692200000000 ] - [ 0.0010593300000000, -0.0017649200000000, 0.0048832300000000 ] - [ -0.0001178300000000, 0.0002117900000000, 0.0005206900000000 ] - [ 0.0003699000000000, -0.0004416300000000, 0.0013708800000000 ] - [ -0.0001024400000000, -0.0002633700000000, 0.0004768500000000 ] - [ -0.0029741800000000, 0.0044582500000000, 0.0006610300000000 ] - [ 0.0005814400000000, -0.0004293200000000, 0.0003527500000000 ] - [ 0.0005004600000000, 0.0005677600000000, 0.0004727600000000 ] - [ 0.0004675200000000, 0.0006187500000000, 0.0003185900000000 ] - [ -0.0013081800000000, -0.0017849000000000, -0.0046479800000000 ] - [ -0.0002435700000000, -0.0004862400000000, -0.0001909600000000 ] - [ -0.0010890200000000, 0.0000915400000000, -0.0015106100000000 ] - [ -0.0002714400000000, 0.0004897200000000, -0.0001790600000000 ] - [ -0.0013017600000000, 0.0036921500000000, -0.0010043300000000 ] - [ 0.0000956600000000, 0.0000943700000000, 0.0008442100000000 ] - [ 0.0001161400000000, -0.0000297700000000, 0.0007132000000000 ] - [ 0.0001005500000000, -0.0000453300000000, 0.0008330400000000 ] - [ -0.0005083600000000, -0.0003388800000000, 0.0011122100000000 ] - [ -0.0003740600000000, -0.0002547500000000, 0.0004986300000000 ] - [ 0.0036031700000000, 0.0044268700000000, 0.0073308100000000 ] - [ -0.0004017000000000, 0.0002026400000000, 0.0005348400000000 ] - [ -0.0000434200000000, 0.0001368600000000, -0.0003483600000000 ] - [ 0.0037444400000000, 0.0019810800000000, 0.0006220400000000 ] - [ 0.0003898300000000, 0.0002247200000000, -0.0005019400000000 ] - [ 0.0004094600000000, 0.0002082900000000, -0.0004366600000000 ] - [ -0.0000463800000000, 0.0000660700000000, -0.0008199600000000 ] - [ -0.0002031000000000, -0.0000086700000000, -0.0008457000000000 ] - [ 0.0002789000000000, -0.0001681400000000, -0.0011401100000000 ] - [ -0.0042930200000000, -0.0012512000000000, -0.0035129900000000 ] - [ 0.0004062100000000, -0.0001853600000000, 0.0003574200000000 ] - [ -0.0005606500000000, 0.0001096600000000, 0.0002939500000000 ] - [ 0.0002997500000000, 0.0005165500000000, 0.0002484800000000 ] - [ 0.0002258800000000, 0.0005507600000000, 0.0003770000000000 ] - [ -0.0003100100000000, -0.0008172200000000, -0.0002464900000000 ] - [ -0.0005242300000000, -0.0006689500000000, -0.0003232500000000 ] - [ -0.0009007400000000, 0.0004403400000000, 0.0001739900000000 ] - [ -0.0003081500000000, 0.0005045300000000, -0.0002377700000000 ] - [ 0.0000918200000000, 0.0006837100000000, -0.0007286500000000 ] - [ 0.0004803200000000, 0.0006104700000000, -0.0005119300000000 ] - [ 0.0001415400000000, -0.0002435600000000, -0.0005302100000000 ] - [ 0.0001278900000000, -0.0001843000000000, -0.0006640700000000 ] - [ -0.0000628500000000, 0.0000462900000000, 0.0005955900000000 ] - [ 0.0001461000000000, 0.0001600600000000, 0.0007891000000000 ] - [ 0.0006465400000000, -0.0001633100000000, 0.0002868300000000 ] - [ -0.0000544700000000, -0.0002223700000000, 0.0007010900000000 ] - [ -0.0046617400000000, -0.1086348600000000, -0.0027334200000000 ] - [ -0.0003429500000000, 0.0002799600000000, 0.0003729200000000 ] - [ -0.0002685000000000, -0.0002729200000000, 0.0003772800000000 ] - [ -0.0002685600000000, -0.0006327500000000, 0.0003517100000000 ] - [ 0.0003453600000000, 0.0042403600000000, 0.0004482800000000 ] - [ 0.0002617700000000, -0.0000944500000000, 0.0000070600000000 ] - [ 0.0007171400000000, 0.0051105500000000, -0.0001311700000000 ] - [ 0.0002924100000000, 0.0002257800000000, -0.0000145300000000 ] - [ -0.0004413800000000, -0.0029015000000000, 0.0000404800000000 ] - [ 0.0000530600000000, -0.0021360000000000, 0.0000507500000000 ] - [ -0.0002198900000000, 0.0002145300000000, -0.0000123700000000 ] - [ -0.0001277000000000, -0.0002500800000000, 0.0000576300000000 ] - [ 0.0003968500000000, 0.0006319100000000, -0.0003274100000000 ] - [ 0.0002904700000000, 0.0012682300000000, -0.0003623900000000 ] - [ 0.0004266300000000, 0.0001259500000000, -0.0003383900000000 ] - [ 0.0003207900000000, 0.0005886900000000, -0.0003027100000000 ] - [ 0.0000721900000000, -0.0022129400000000, 0.0005015200000000 ] - [ 0.0002406800000000, -0.0003617300000000, 0.0005844500000000 ] - [ 0.0001509100000000, -0.0005117400000000, 0.0005525100000000 ] - [ 0.0001981000000000, 0.0000800400000000, 0.0005818100000000 ] - [ -0.0001111800000000, -0.0011795700000000, -0.0006613900000000 ] - [ 0.0000600100000000, -0.0001485700000000, 0.0002815800000000 ] - [ -0.0003537400000000, -0.0038122800000000, -0.0033231500000000 ] - [ 0.0000239100000000, 0.0000422500000000, 0.0002584600000000 ] - [ -0.0002045900000000, -0.0005697800000000, 0.0000968800000000 ] - [ -0.0001306700000000, 0.0005509600000000, -0.0004401800000000 ] - [ 0.0004331200000000, -0.0044321300000000, 0.0031957400000000 ] - [ -0.0001072300000000, -0.0007148200000000, -0.0003741100000000 ] - [ -0.0260288200000000, 0.0400764300000000, 0.0198502100000000 ] - [ -0.0009675200000000, -0.0002612500000000, 0.0003718900000000 ] - [ 0.0254180200000000, 0.0418906800000000, -0.0204319800000000 ] - [ -0.0002131600000000, -0.0003162300000000, -0.0001760400000000 ] - [ -0.0008713700000000, 0.0004545800000000, 0.0002923600000000 ] - [ -0.0007354000000000, 0.0003325200000000, 0.0003384200000000 ] - [ -0.0002424300000000, 0.0006363700000000, -0.0001459300000000 ] - [ -0.0004470600000000, 0.0004884000000000, -0.0000859400000000 ] - [ -0.0002373100000000, 0.0007742100000000, 0.0007474000000000 ] - [ -0.0003158700000000, -0.0000987300000000, 0.0008161800000000 ] - [ 0.0003949600000000, 0.0106218700000000, 0.0014683700000000 ] - [ -0.0003125600000000, 0.0001088900000000, 0.0008500900000000 ] - [ 0.0002679800000000, -0.0002679600000000, -0.0008442600000000 ] - [ 0.0003526700000000, -0.0019157600000000, -0.0009102500000000 ] - [ 0.0002302600000000, 0.0000820400000000, -0.0008336300000000 ] - [ 0.0003182100000000, -0.0000091100000000, -0.0007939600000000 ] - [ 0.0003926300000000, -0.0004521200000000, 0.0000225600000000 ] - [ 0.0008092600000000, -0.0008563500000000, -0.0003019700000000 ] - [ 0.0006820500000000, -0.0003483400000000, -0.0002557400000000 ] - [ 0.0004417600000000, -0.0007205500000000, -0.0000261700000000 ] - [ 0.0004261600000000, 0.0001136400000000, 0.0000152200000000 ] - [ -0.0005406600000000, -0.0002748500000000, -0.0009428100000000 ] - [ 0.0006938900000000, 0.0000143500000000, -0.0003542600000000 ] - [ 0.0017870800000000, -0.0004295200000000, 0.0005167800000000 ] - [ 0.0001113200000000, 0.0032540900000000, 0.0006047400000000 ] - [ 0.0013907400000000, 0.0010751500000000, 0.0000478100000000 ] - [ 0.0000826400000000, -0.0006560200000000, 0.0004070900000000 ] - [ 0.0000027700000000, -0.0006994300000000, 0.0002162300000000 ] - [ 0.0002597500000000, 0.0021873500000000, -0.0003710100000000 ] - [ -0.0010900700000000, 0.0001291600000000, -0.0000034700000000 ] - [ -0.0000499200000000, 0.0001143100000000, -0.0002640200000000 ] - [ -0.0000291000000000, 0.0002609500000000, -0.0002650500000000 ] - [ -0.0001401400000000, 0.0019917000000000, -0.0005820000000000 ] - [ -0.0004299600000000, -0.0000815700000000, -0.0005392900000000 ] - [ -0.0002679700000000, 0.0005255600000000, -0.0005060100000000 ] - [ -0.0003535700000000, 0.0003563300000000, -0.0005035700000000 ]- atom: 49 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0045184000000000, -0.0058271800000000, -0.0007723000000000 ] - [ -0.0000082800000000, 0.0000014900000000, -0.0007519500000000 ] - [ -0.0000565100000000, -0.0001155100000000, -0.0007473400000000 ] - [ -0.0001474500000000, -0.0002013800000000, -0.0007787000000000 ] - [ -0.0013199800000000, 0.0022815800000000, -0.0039493100000000 ] - [ -0.0001340100000000, 0.0002946900000000, 0.0004264700000000 ] - [ -0.0006052900000000, -0.0000918500000000, -0.0004345600000000 ] - [ -0.0001510600000000, -0.0002445300000000, 0.0004698200000000 ] - [ 0.0038937200000000, -0.0055898700000000, -0.0000417300000000 ] - [ 0.0003659000000000, -0.0007599400000000, 0.0002778200000000 ] - [ 0.0004471200000000, 0.0006294100000000, 0.0001596400000000 ] - [ 0.0004759100000000, 0.0005748500000000, 0.0003116800000000 ] - [ 0.0007194300000000, 0.0007655900000000, 0.0042797900000000 ] - [ -0.0003392600000000, -0.0005320400000000, -0.0001538300000000 ] - [ 0.0005173600000000, 0.0009561000000000, 0.0011584900000000 ] - [ -0.0003140600000000, 0.0005294200000000, -0.0001653700000000 ] - [ 0.0014786600000000, -0.0036119500000000, 0.0026635300000000 ] - [ 0.0000608200000000, 0.0000107500000000, 0.0008157300000000 ] - [ 0.0000453400000000, -0.0000859500000000, 0.0009475600000000 ] - [ 0.0000581400000000, -0.0000669400000000, 0.0008272000000000 ] - [ -0.0002501400000000, -0.0001407800000000, -0.0001094000000000 ] - [ -0.0003864300000000, -0.0002215200000000, 0.0005058700000000 ] - [ -0.0042994400000000, -0.0039176900000000, -0.0062494400000000 ] - [ -0.0003593600000000, 0.0002738000000000, 0.0004695200000000 ] - [ 0.0007997600000000, -0.0006099300000000, -0.0006572800000000 ] - [ -0.0029680900000000, -0.0024410300000000, -0.0016274500000000 ] - [ 0.0003701000000000, 0.0002520700000000, -0.0005033700000000 ] - [ 0.0003519500000000, 0.0002716200000000, -0.0005690400000000 ] - [ -0.0001109700000000, 0.0000371300000000, -0.0008413900000000 ] - [ 0.0000484800000000, 0.0001131800000000, -0.0008174700000000 ] - [ -0.0004388900000000, 0.0000633200000000, -0.0005207300000000 ] - [ 0.0041450600000000, 0.0011741600000000, 0.0018779600000000 ] - [ 0.0001731800000000, -0.0008297300000000, -0.0000130900000000 ] - [ 0.0011416400000000, -0.0011267800000000, 0.0000505800000000 ] - [ 0.0002794300000000, 0.0004994400000000, 0.0000975500000000 ] - [ 0.0003575300000000, 0.0004654200000000, -0.0000309400000000 ] - [ -0.0006380400000000, -0.0003717300000000, -0.0003858800000000 ] - [ -0.0004232600000000, -0.0005223900000000, -0.0003102400000000 ] - [ -0.0000479900000000, 0.0007415100000000, -0.0008023300000000 ] - [ -0.0006408800000000, 0.0006820800000000, -0.0003909000000000 ] - [ 0.0001561800000000, -0.0001773400000000, -0.0002175300000000 ] - [ -0.0002289400000000, -0.0001024200000000, -0.0004334900000000 ] - [ 0.0001066400000000, -0.0002601500000000, -0.0004161700000000 ] - [ 0.0001249300000000, -0.0003194700000000, -0.0002801500000000 ] - [ 0.0002624400000000, 0.0002989400000000, 0.0009499100000000 ] - [ 0.0000538800000000, 0.0001877100000000, 0.0007550700000000 ] - [ -0.0004460300000000, -0.0001747300000000, 0.0012599500000000 ] - [ 0.0002545400000000, -0.0001233700000000, 0.0008483600000000 ] - [ 0.0020112400000000, 0.1097070700000000, 0.0055848000000000 ] - [ -0.0002831100000000, 0.0008908100000000, 0.0003540700000000 ] - [ -0.0003637600000000, -0.0008979400000000, 0.0003380900000000 ] - [ -0.0003600300000000, -0.0005385300000000, 0.0003704100000000 ] - [ 0.0001890200000000, -0.0044631900000000, -0.0004423100000000 ] - [ 0.0002533300000000, -0.0001306300000000, -0.0000129300000000 ] - [ -0.0001905300000000, -0.0048841100000000, 0.0001585900000000 ] - [ 0.0002196500000000, 0.0000000300000000, 0.0000091500000000 ] - [ -0.0000565700000000, 0.0026686800000000, -0.0000337300000000 ] - [ -0.0005666600000000, 0.0019105400000000, -0.0000411200000000 ] - [ -0.0002872900000000, 0.0000118600000000, 0.0000074600000000 ] - [ -0.0004185100000000, 0.0004762800000000, -0.0000724700000000 ] - [ 0.0002254700000000, 0.0005394700000000, -0.0003980000000000 ] - [ 0.0003351500000000, -0.0000970300000000, -0.0003625800000000 ] - [ 0.0001833600000000, -0.0012956400000000, -0.0003908100000000 ] - [ 0.0003019300000000, -0.0017597600000000, -0.0004258000000000 ] - [ 0.0004089300000000, 0.0017915000000000, 0.0006710400000000 ] - [ 0.0002431400000000, -0.0000601600000000, 0.0005784100000000 ] - [ 0.0003462900000000, 0.0009321000000000, 0.0005973000000000 ] - [ 0.0002878400000000, 0.0003414700000000, 0.0005802000000000 ] - [ 0.0002710100000000, 0.0009451700000000, 0.0012539200000000 ] - [ 0.0001032100000000, -0.0000912300000000, 0.0003116700000000 ] - [ 0.0005171500000000, 0.0040280200000000, 0.0038818700000000 ] - [ 0.0001397000000000, 0.0001961200000000, 0.0003324600000000 ] - [ -0.0000699700000000, 0.0018034000000000, -0.0009642600000000 ] - [ -0.0001401800000000, 0.0006885300000000, -0.0004244000000000 ] - [ -0.0007035800000000, 0.0032231300000000, -0.0040982700000000 ] - [ -0.0001622600000000, -0.0005229100000000, -0.0004925500000000 ] - [ 0.0256678700000000, -0.0421862000000000, -0.0201462000000000 ] - [ -0.0004527100000000, -0.0004100300000000, 0.0003139500000000 ] - [ -0.0252089400000000, -0.0413604200000000, 0.0192652800000000 ] - [ -0.0006251000000000, -0.0006194600000000, -0.0000094300000000 ] - [ -0.0005521800000000, 0.0002221000000000, 0.0003991600000000 ] - [ -0.0006843500000000, 0.0003399700000000, 0.0003472300000000 ] - [ -0.0005998600000000, 0.0002958500000000, -0.0000319400000000 ] - [ -0.0003920900000000, 0.0004470600000000, -0.0000986900000000 ] - [ -0.0003202900000000, -0.0009465200000000, 0.0008921900000000 ] - [ -0.0002415900000000, -0.0000737300000000, 0.0008122900000000 ] - [ -0.0009837300000000, -0.0104482500000000, 0.0000400900000000 ] - [ -0.0002449800000000, 0.0000638800000000, 0.0007735000000000 ] - [ 0.0002961000000000, 0.0000953600000000, -0.0007781900000000 ] - [ 0.0002113200000000, 0.0017405500000000, -0.0007073900000000 ] - [ 0.0003324100000000, 0.0000911200000000, -0.0007935200000000 ] - [ 0.0002371300000000, 0.0001819100000000, -0.0008363500000000 ] - [ 0.0004487000000000, -0.0004852400000000, 0.0001638900000000 ] - [ 0.0000297700000000, -0.0000805300000000, 0.0004886300000000 ] - [ 0.0007402600000000, -0.0003208300000000, -0.0004274500000000 ] - [ 0.0009780100000000, 0.0000499400000000, -0.0006564100000000 ] - [ 0.0004190300000000, 0.0008252100000000, 0.0001688500000000 ] - [ 0.0013736400000000, 0.0012119700000000, 0.0011202900000000 ] - [ 0.0007311100000000, 0.0006530200000000, -0.0003303200000000 ] - [ -0.0003742100000000, 0.0011016800000000, -0.0012083600000000 ] - [ 0.0001154100000000, -0.0020400200000000, 0.0002415000000000 ] - [ -0.0011241400000000, 0.0001626400000000, 0.0008157000000000 ] - [ 0.0001899200000000, -0.0005761800000000, 0.0004601700000000 ] - [ 0.0002751900000000, -0.0005239500000000, 0.0006621000000000 ] - [ -0.0004552300000000, -0.0023870700000000, -0.0002374200000000 ] - [ 0.0009237800000000, -0.0003664500000000, -0.0005895400000000 ] - [ -0.0001111300000000, 0.0001166400000000, -0.0003259000000000 ] - [ -0.0001254400000000, -0.0000389000000000, -0.0003145000000000 ] - [ -0.0003527000000000, -0.0024094500000000, -0.0005922700000000 ] - [ -0.0000562400000000, -0.0003396900000000, -0.0006236100000000 ] - [ -0.0002353600000000, -0.0001025400000000, -0.0006434600000000 ] - [ -0.0001187100000000, 0.0000654700000000, -0.0006652400000000 ]- atom: 49 displacement: [ -0.0007714822112317, 0.0000000000000000, 0.0099701963470011 ] forces: - [ 0.0017634200000000, 0.0015866900000000, -0.0024686100000000 ] - [ -0.0001227100000000, 0.0002976500000000, -0.0008404200000000 ] - [ -0.0000744300000000, -0.0000699700000000, -0.0003081900000000 ] - [ 0.0000370900000000, -0.0001101700000000, -0.0007384100000000 ] - [ -0.0010504100000000, 0.0023917400000000, 0.0047294300000000 ] - [ -0.0001475700000000, 0.0003583900000000, 0.0004664300000000 ] - [ -0.0018578300000000, 0.0019436700000000, 0.0040408800000000 ] - [ -0.0000063100000000, -0.0001589800000000, 0.0004750400000000 ] - [ 0.0022614300000000, -0.0017186600000000, -0.0012260600000000 ] - [ 0.0004451800000000, -0.0007333000000000, 0.0002278800000000 ] - [ 0.0005033400000000, 0.0004877500000000, 0.0007813800000000 ] - [ 0.0006165000000000, 0.0005198000000000, 0.0003582900000000 ] - [ -0.0012435600000000, -0.0020104100000000, 0.0025968900000000 ] - [ -0.0002949200000000, -0.0006029800000000, -0.0001601200000000 ] - [ -0.0016734600000000, -0.0022767600000000, 0.0036200200000000 ] - [ -0.0001931000000000, 0.0004287500000000, -0.0001872900000000 ] - [ -0.0002585800000000, 0.0011434700000000, -0.0020255300000000 ] - [ 0.0000959600000000, 0.0000680000000000, 0.0007148100000000 ] - [ -0.0001025900000000, 0.0000805100000000, 0.0011725700000000 ] - [ 0.0002093400000000, -0.0000202700000000, 0.0009498900000000 ] - [ -0.0005536700000000, -0.0002187700000000, 0.0009292800000000 ] - [ -0.0002645300000000, -0.0002480800000000, 0.0005888700000000 ] - [ 0.0013211800000000, 0.0059170400000000, -0.0024200800000000 ] - [ -0.0003711200000000, 0.0002247900000000, 0.0004029700000000 ] - [ 0.0006536900000000, -0.0004531900000000, -0.0006284700000000 ] - [ -0.0016156400000000, -0.0003105600000000, -0.0012884100000000 ] - [ 0.0002982400000000, 0.0001219700000000, -0.0003314300000000 ] - [ 0.0003907600000000, 0.0001542400000000, -0.0003204200000000 ] - [ 0.0000406100000000, -0.0000204000000000, -0.0004349000000000 ] - [ -0.0001760000000000, -0.0000996200000000, -0.0004771000000000 ] - [ 0.0001612100000000, -0.0000499500000000, -0.0011935000000000 ] - [ 0.0005302100000000, -0.0023953000000000, -0.0050754500000000 ] - [ 0.0006880600000000, -0.0004568800000000, 0.0001536200000000 ] - [ -0.0000728300000000, -0.0004658300000000, 0.0004288200000000 ] - [ 0.0001106500000000, 0.0005307500000000, 0.0001808200000000 ] - [ 0.0003881600000000, 0.0006450300000000, 0.0002057200000000 ] - [ -0.0002323700000000, 0.0003288200000000, 0.0005103600000000 ] - [ -0.0004850800000000, -0.0005245000000000, -0.0000841200000000 ] - [ -0.0013064700000000, 0.0010822700000000, -0.0008919300000000 ] - [ -0.0000388600000000, 0.0008525300000000, -0.0005584500000000 ] - [ 0.0005499900000000, 0.0001956400000000, -0.0004869000000000 ] - [ -0.0001122500000000, 0.0002419500000000, -0.0002450700000000 ] - [ -0.0000842400000000, -0.0002803900000000, -0.0004798300000000 ] - [ 0.0001716500000000, -0.0003279300000000, -0.0004666800000000 ] - [ 0.0002914700000000, -0.0007524900000000, 0.0016075800000000 ] - [ 0.0001249900000000, 0.0001147200000000, 0.0010199100000000 ] - [ -0.0007721300000000, -0.0007181600000000, 0.0002734300000000 ] - [ 0.0002909900000000, -0.0002842900000000, 0.0005494500000000 ] - [ 0.0039174800000000, -0.0033324000000000, -0.0898638600000000 ] - [ -0.0004701200000000, 0.0005971400000000, -0.0000179600000000 ] - [ -0.0002698900000000, -0.0006012600000000, 0.0023763500000000 ] - [ -0.0000551500000000, -0.0005728600000000, 0.0007968000000000 ] - [ 0.0003218000000000, 0.0000537200000000, 0.0015202100000000 ] - [ 0.0003006500000000, -0.0001206800000000, 0.0000422100000000 ] - [ 0.0006416700000000, 0.0004920600000000, 0.0022900600000000 ] - [ 0.0003981600000000, 0.0001066900000000, 0.0000334900000000 ] - [ 0.0035336100000000, -0.0001213600000000, -0.0023620900000000 ] - [ -0.0015076000000000, -0.0000380600000000, 0.0000023900000000 ] - [ -0.0014469000000000, 0.0002007500000000, 0.0021438500000000 ] - [ 0.0026153700000000, -0.0000797700000000, 0.0024093000000000 ] - [ 0.0004353400000000, 0.0005572600000000, 0.0003399100000000 ] - [ 0.0002400100000000, 0.0005837200000000, 0.0000937500000000 ] - [ -0.0003088500000000, -0.0005689500000000, -0.0009117800000000 ] - [ -0.0001739400000000, -0.0005249300000000, -0.0022051000000000 ] - [ -0.0004636800000000, -0.0002769100000000, 0.0003280000000000 ] - [ 0.0003110000000000, -0.0002033300000000, 0.0005205800000000 ] - [ 0.0007840900000000, 0.0001374100000000, 0.0001196000000000 ] - [ 0.0000652700000000, 0.0002200600000000, 0.0006465000000000 ] - [ 0.0000845700000000, -0.0002248900000000, -0.0006288500000000 ] - [ -0.0000064800000000, -0.0000999300000000, 0.0001892500000000 ] - [ 0.0001176300000000, -0.0019895900000000, 0.0003323400000000 ] - [ -0.0000553600000000, 0.0001463000000000, 0.0003277700000000 ] - [ -0.0001516000000000, 0.0005952300000000, -0.0014351700000000 ] - [ -0.0002353600000000, 0.0005899700000000, -0.0005337200000000 ] - [ -0.0001617200000000, 0.0007797900000000, -0.0002364200000000 ] - [ -0.0002548200000000, -0.0006410900000000, -0.0004053800000000 ] - [ -0.0195069300000000, 0.0223614900000000, 0.0245875300000000 ] - [ -0.0008000600000000, -0.0003685500000000, 0.0004435900000000 ] - [ -0.0186336700000000, -0.0242329200000000, 0.0228388400000000 ] - [ -0.0005734200000000, -0.0004599300000000, 0.0000555000000000 ] - [ -0.0003594500000000, 0.0004546100000000, -0.0011207600000000 ] - [ -0.0007355900000000, 0.0003033500000000, 0.0001992200000000 ] - [ -0.0000475600000000, 0.0003400400000000, -0.0016508800000000 ] - [ -0.0004026100000000, 0.0005007700000000, -0.0002813300000000 ] - [ -0.0001972400000000, -0.0000156100000000, -0.0011513300000000 ] - [ -0.0005607500000000, -0.0000833600000000, 0.0005181800000000 ] - [ 0.0312012900000000, 0.0007023000000000, 0.0430571600000000 ] - [ -0.0002242500000000, 0.0001023000000000, 0.0012028300000000 ] - [ 0.0003211200000000, -0.0000289200000000, -0.0003505300000000 ] - [ 0.0022425300000000, -0.0001025000000000, -0.0001885000000000 ] - [ 0.0002259700000000, 0.0001255100000000, -0.0012262500000000 ] - [ 0.0001245000000000, 0.0001052700000000, -0.0012370100000000 ] - [ 0.0002475400000000, -0.0006184300000000, -0.0002691000000000 ] - [ 0.0006548000000000, -0.0005744700000000, -0.0002630600000000 ] - [ 0.0004944900000000, -0.0001310800000000, -0.0007262800000000 ] - [ 0.0009151100000000, -0.0002416200000000, -0.0006795700000000 ] - [ 0.0005527800000000, 0.0005133700000000, 0.0003727800000000 ] - [ -0.0000945000000000, -0.0006124700000000, 0.0014878900000000 ] - [ 0.0008560700000000, 0.0002717700000000, -0.0000600800000000 ] - [ 0.0005357000000000, 0.0011774600000000, 0.0009227000000000 ] - [ -0.0001348400000000, 0.0003088900000000, 0.0018402700000000 ] - [ 0.0005876600000000, 0.0006064400000000, 0.0009256400000000 ] - [ -0.0000553900000000, -0.0011112300000000, -0.0007143200000000 ] - [ -0.0002638300000000, -0.0013246600000000, -0.0002805600000000 ] - [ -0.0004728700000000, 0.0003296700000000, 0.0008853100000000 ] - [ 0.0004702800000000, -0.0001376400000000, 0.0000190000000000 ] - [ -0.0002438800000000, 0.0006321100000000, -0.0011775800000000 ] - [ -0.0004982300000000, 0.0009120700000000, -0.0009634800000000 ] - [ -0.0046446700000000, 0.0000481800000000, -0.0028605100000000 ] - [ 0.0002822300000000, -0.0002175900000000, -0.0007841300000000 ] - [ 0.0026858700000000, 0.0001728300000000, -0.0024684700000000 ] - [ -0.0009869000000000, 0.0002201300000000, -0.0004617200000000 ]- atom: 49 displacement: [ 0.0007714822112317, 0.0000000000000000, -0.0099701963470011 ] forces: - [ -0.0019553800000000, -0.0012127000000000, 0.0009256000000000 ] - [ -0.0000788000000000, 0.0000516300000000, -0.0007073000000000 ] - [ -0.0001251400000000, -0.0002759700000000, -0.0012354100000000 ] - [ -0.0002386000000000, -0.0002367000000000, -0.0008089700000000 ] - [ 0.0008127300000000, -0.0019222500000000, -0.0038184100000000 ] - [ -0.0001053300000000, 0.0001485100000000, 0.0004803600000000 ] - [ 0.0016032500000000, -0.0024303900000000, -0.0030554500000000 ] - [ -0.0002463000000000, -0.0003483500000000, 0.0004704400000000 ] - [ -0.0013076700000000, 0.0005114200000000, 0.0018532100000000 ] - [ 0.0005009300000000, -0.0004584500000000, 0.0004027200000000 ] - [ 0.0004439900000000, 0.0007027800000000, -0.0001474700000000 ] - [ 0.0003305000000000, 0.0006704600000000, 0.0002730600000000 ] - [ 0.0006760500000000, 0.0010175800000000, -0.0029503500000000 ] - [ -0.0002885200000000, -0.0004162200000000, -0.0001842400000000 ] - [ 0.0010902000000000, 0.0032696600000000, -0.0039223300000000 ] - [ -0.0003903900000000, 0.0005890100000000, -0.0001576100000000 ] - [ 0.0004233300000000, -0.0010440900000000, 0.0036753600000000 ] - [ 0.0000612900000000, 0.0000355500000000, 0.0009441000000000 ] - [ 0.0002597000000000, -0.0001795600000000, 0.0004898400000000 ] - [ -0.0000528600000000, -0.0000811600000000, 0.0007103600000000 ] - [ -0.0002055000000000, -0.0002599300000000, 0.0000788600000000 ] - [ -0.0004955200000000, -0.0002287900000000, 0.0004155500000000 ] - [ -0.0020864400000000, -0.0054292300000000, 0.0033903100000000 ] - [ -0.0003886200000000, 0.0002511700000000, 0.0006006300000000 ] - [ 0.0001085000000000, -0.0000246300000000, -0.0003793200000000 ] - [ 0.0023681500000000, -0.0001634600000000, 0.0002681200000000 ] - [ 0.0004596100000000, 0.0003534600000000, -0.0006724300000000 ] - [ 0.0003709100000000, 0.0003215800000000, -0.0006824800000000 ] - [ -0.0002020900000000, 0.0001245600000000, -0.0012250000000000 ] - [ 0.0000210200000000, 0.0002047800000000, -0.0011826500000000 ] - [ -0.0003172800000000, -0.0000536900000000, -0.0004709200000000 ] - [ -0.0006942100000000, 0.0022890500000000, 0.0033870800000000 ] - [ -0.0001038900000000, -0.0005584400000000, 0.0001936200000000 ] - [ 0.0006485500000000, -0.0005499700000000, -0.0000815500000000 ] - [ 0.0004701400000000, 0.0004895500000000, 0.0001630800000000 ] - [ 0.0001949700000000, 0.0003734300000000, 0.0001398200000000 ] - [ -0.0007131900000000, -0.0015316600000000, -0.0011443300000000 ] - [ -0.0004618900000000, -0.0006673300000000, -0.0005468500000000 ] - [ 0.0003580600000000, 0.0001091600000000, 0.0002519800000000 ] - [ -0.0009068700000000, 0.0003377900000000, -0.0000733600000000 ] - [ -0.0002963300000000, 0.0003094500000000, -0.0004561000000000 ] - [ 0.0003603400000000, 0.0002640400000000, -0.0006988200000000 ] - [ 0.0003347600000000, -0.0002270200000000, -0.0004666500000000 ] - [ 0.0000811700000000, -0.0001782400000000, -0.0004779500000000 ] - [ -0.0000881300000000, 0.0011111600000000, -0.0000633800000000 ] - [ 0.0000752200000000, 0.0002327000000000, 0.0005275100000000 ] - [ 0.0009714000000000, 0.0003690300000000, 0.0012645300000000 ] - [ -0.0000891100000000, -0.0000636100000000, 0.0009968600000000 ] - [ -0.0065557400000000, 0.0044474900000000, 0.0895200800000000 ] - [ -0.0001588900000000, 0.0005737400000000, 0.0007395500000000 ] - [ -0.0003563100000000, -0.0005695100000000, -0.0016488100000000 ] - [ -0.0005737900000000, -0.0005987900000000, -0.0000721000000000 ] - [ 0.0002066900000000, -0.0002786800000000, -0.0015011500000000 ] - [ 0.0002143200000000, -0.0001045200000000, -0.0000467900000000 ] - [ -0.0001209900000000, -0.0002652400000000, -0.0022789900000000 ] - [ 0.0001161100000000, 0.0001184900000000, -0.0000392700000000 ] - [ -0.0040724500000000, -0.0001055700000000, 0.0024158800000000 ] - [ 0.0009868900000000, -0.0001857900000000, 0.0000083600000000 ] - [ 0.0009180800000000, 0.0000238600000000, -0.0021137900000000 ] - [ -0.0031327300000000, 0.0003044700000000, -0.0024028600000000 ] - [ 0.0001949800000000, 0.0006146000000000, -0.0010624500000000 ] - [ 0.0003866500000000, 0.0005874600000000, -0.0008164000000000 ] - [ 0.0009312600000000, -0.0006027000000000, 0.0001822700000000 ] - [ 0.0007962700000000, -0.0006463600000000, 0.0014610600000000 ] - [ 0.0009401700000000, -0.0001444500000000, 0.0008350400000000 ] - [ 0.0001728900000000, -0.0002183200000000, 0.0006429800000000 ] - [ -0.0002998300000000, 0.0002842100000000, 0.0010429200000000 ] - [ 0.0004177500000000, 0.0002013400000000, 0.0005179100000000 ] - [ 0.0000713000000000, -0.0000033100000000, 0.0012093200000000 ] - [ 0.0001699300000000, -0.0001370300000000, 0.0004003900000000 ] - [ 0.0000512300000000, 0.0022113700000000, 0.0002569800000000 ] - [ 0.0002180600000000, 0.0000908400000000, 0.0002623300000000 ] - [ -0.0001271500000000, 0.0006346000000000, 0.0005558100000000 ] - [ -0.0000353400000000, 0.0006474700000000, -0.0003341200000000 ] - [ -0.0001034600000000, -0.0020035200000000, -0.0006336400000000 ] - [ -0.0000160000000000, -0.0005968500000000, -0.0004617900000000 ] - [ 0.0184465800000000, -0.0236153400000000, -0.0240206700000000 ] - [ -0.0006214100000000, -0.0003043300000000, 0.0002417700000000 ] - [ 0.0181559600000000, 0.0238841300000000, -0.0231365000000000 ] - [ -0.0002651700000000, -0.0004741200000000, -0.0002397200000000 ] - [ -0.0010627200000000, 0.0002160400000000, 0.0018009100000000 ] - [ -0.0006829300000000, 0.0003692300000000, 0.0004856100000000 ] - [ -0.0007927400000000, 0.0005956800000000, 0.0014608200000000 ] - [ -0.0004346100000000, 0.0004335400000000, 0.0000964400000000 ] - [ -0.0003675700000000, -0.0001585000000000, 0.0027785200000000 ] - [ 0.0000031500000000, -0.0000901100000000, 0.0011045000000000 ] - [ -0.0305101500000000, -0.0004821700000000, -0.0401223700000000 ] - [ -0.0003331100000000, 0.0000714500000000, 0.0004254100000000 ] - [ 0.0002385500000000, -0.0001438700000000, -0.0012697800000000 ] - [ -0.0016663400000000, -0.0000704000000000, -0.0014235800000000 ] - [ 0.0003339200000000, 0.0000485200000000, -0.0003997500000000 ] - [ 0.0004322800000000, 0.0000686500000000, -0.0003905500000000 ] - [ 0.0005919800000000, -0.0003138300000000, 0.0004516800000000 ] - [ 0.0001850700000000, -0.0003608800000000, 0.0004443100000000 ] - [ 0.0009267500000000, -0.0005443100000000, 0.0000396100000000 ] - [ 0.0005059400000000, -0.0004303000000000, -0.0000082200000000 ] - [ 0.0002880300000000, 0.0004207500000000, -0.0001858700000000 ] - [ 0.0009261100000000, 0.0015326300000000, -0.0012962700000000 ] - [ 0.0005663700000000, 0.0004008900000000, -0.0006217300000000 ] - [ 0.0008759700000000, -0.0004905400000000, -0.0016021000000000 ] - [ 0.0003951900000000, 0.0009401900000000, -0.0009789100000000 ] - [ -0.0003135100000000, 0.0006324300000000, -0.0000554800000000 ] - [ 0.0003240400000000, -0.0001309500000000, 0.0015815800000000 ] - [ 0.0005355100000000, 0.0000917300000000, 0.0011508800000000 ] - [ 0.0003010300000000, -0.0005744000000000, -0.0014829900000000 ] - [ -0.0006291400000000, -0.0001009600000000, -0.0006080700000000 ] - [ 0.0000782800000000, -0.0003910700000000, 0.0005859800000000 ] - [ 0.0003373700000000, -0.0006806400000000, 0.0003768600000000 ] - [ 0.0042064300000000, -0.0004699200000000, 0.0016772600000000 ] - [ -0.0007623100000000, -0.0002042100000000, -0.0003820400000000 ] - [ -0.0031473000000000, 0.0002487000000000, 0.0012957500000000 ] - [ 0.0005078600000000, 0.0002012800000000, -0.0007056700000000 ]- atom: 53 displacement: [ 0.0099872533903921, 0.0000000000000000, -0.0005047471803797 ] forces: - [ -0.0014291000000000, -0.0034562100000000, -0.0032187800000000 ] - [ 0.0001333900000000, 0.0002832600000000, -0.0007266400000000 ] - [ 0.0006143400000000, 0.0002192700000000, -0.0015297300000000 ] - [ 0.0000954200000000, -0.0002718400000000, -0.0007841500000000 ] - [ -0.0007513400000000, 0.0001775900000000, -0.0001049700000000 ] - [ 0.0001367200000000, 0.0002817200000000, 0.0004864500000000 ] - [ -0.0002205600000000, 0.0000146000000000, 0.0005445300000000 ] - [ 0.0000340200000000, -0.0002739100000000, 0.0005248300000000 ] - [ -0.0013351500000000, 0.0027977200000000, -0.0019795700000000 ] - [ 0.0007197900000000, -0.0006966300000000, 0.0003563400000000 ] - [ 0.0010812500000000, 0.0004900100000000, 0.0005625000000000 ] - [ 0.0007055300000000, 0.0006674200000000, 0.0002960300000000 ] - [ -0.0008232600000000, -0.0012078000000000, -0.0005444000000000 ] - [ 0.0000131400000000, -0.0005171300000000, -0.0001733200000000 ] - [ -0.0004434100000000, 0.0002188000000000, -0.0000756700000000 ] - [ -0.0001112600000000, 0.0005143100000000, -0.0001247100000000 ] - [ -0.0012653500000000, 0.0003943900000000, 0.0013903100000000 ] - [ 0.0004961400000000, 0.0000131300000000, 0.0008307500000000 ] - [ -0.0006096300000000, -0.0018787000000000, -0.0010456800000000 ] - [ 0.0007121400000000, 0.0000460300000000, 0.0008605500000000 ] - [ -0.0019677900000000, 0.0014970800000000, -0.0007229500000000 ] - [ 0.0001362500000000, -0.0003563600000000, 0.0005219900000000 ] - [ -0.0009215800000000, 0.0002385000000000, 0.0005899900000000 ] - [ -0.0000322300000000, 0.0002821400000000, 0.0005460700000000 ] - [ 0.0007968400000000, -0.0002752000000000, -0.0005244000000000 ] - [ 0.0002636100000000, -0.0011790300000000, -0.0003124800000000 ] - [ 0.0003108400000000, -0.0001454800000000, -0.0001626600000000 ] - [ -0.0000101300000000, 0.0005490000000000, -0.0010120200000000 ] - [ -0.0000708300000000, 0.0003894800000000, -0.0004655400000000 ] - [ -0.0006543500000000, -0.0003642900000000, -0.0010844000000000 ] - [ 0.0003921500000000, -0.0000942400000000, -0.0009223400000000 ] - [ -0.0002828500000000, 0.0001785600000000, -0.0009893700000000 ] - [ 0.0027781400000000, -0.0009053300000000, -0.0001535700000000 ] - [ 0.0014138100000000, 0.0000257100000000, 0.0003971600000000 ] - [ 0.0001574700000000, 0.0008298600000000, 0.0000856800000000 ] - [ 0.0003448200000000, 0.0004740700000000, 0.0003098400000000 ] - [ -0.0013825300000000, -0.0005741400000000, 0.0007408700000000 ] - [ 0.0000710500000000, -0.0002096700000000, -0.0004532600000000 ] - [ -0.0005772400000000, 0.0007357500000000, -0.0006398800000000 ] - [ -0.0002605800000000, 0.0005063100000000, -0.0003078100000000 ] - [ 0.0032320000000000, 0.0009102600000000, -0.0009088500000000 ] - [ 0.0010775100000000, -0.0001159700000000, -0.0004166900000000 ] - [ -0.0000393900000000, -0.0005231900000000, -0.0005251100000000 ] - [ 0.0002560900000000, -0.0002608700000000, -0.0003407000000000 ] - [ -0.0009815600000000, 0.0005404800000000, 0.0021966300000000 ] - [ 0.0006233600000000, -0.0000509400000000, 0.0006590000000000 ] - [ 0.0000228200000000, -0.0003542300000000, 0.0004856400000000 ] - [ 0.0003313200000000, -0.0000613300000000, 0.0007708900000000 ] - [ -0.0012479500000000, 0.0006412900000000, 0.0002666300000000 ] - [ 0.0002317800000000, 0.0005889900000000, 0.0004451400000000 ] - [ 0.0003864500000000, -0.0010433500000000, 0.0006929800000000 ] - [ 0.0001276100000000, -0.0006222800000000, 0.0005348200000000 ] - [ -0.0998492600000000, 0.0039192000000000, 0.0076400100000000 ] - [ 0.0009494500000000, -0.0001464700000000, -0.0001641900000000 ] - [ -0.0003414100000000, 0.0003104900000000, -0.0005598400000000 ] - [ 0.0011962600000000, 0.0000922600000000, 0.0002013200000000 ] - [ -0.0005605900000000, 0.0000440900000000, 0.0017373900000000 ] - [ -0.0005701500000000, -0.0001679700000000, -0.0002043000000000 ] - [ 0.0009436700000000, 0.0000962300000000, 0.0001345600000000 ] - [ -0.0004944100000000, 0.0001632500000000, -0.0000776200000000 ] - [ 0.0046091000000000, 0.0007768300000000, 0.0038869600000000 ] - [ 0.0015348400000000, 0.0002752000000000, -0.0015250900000000 ] - [ 0.0023295400000000, -0.0005511300000000, -0.0015003100000000 ] - [ 0.0016711700000000, -0.0004423600000000, 0.0025204500000000 ] - [ 0.0648017200000000, 0.0006660500000000, -0.0304877800000000 ] - [ -0.0007107800000000, -0.0001967800000000, 0.0007869100000000 ] - [ 0.0004380900000000, 0.0001234200000000, 0.0006128200000000 ] - [ -0.0004746300000000, 0.0002324500000000, 0.0005842700000000 ] - [ 0.0168814800000000, -0.0179555600000000, 0.0144384600000000 ] - [ -0.0004964400000000, -0.0001587100000000, 0.0002573500000000 ] - [ 0.0005601500000000, -0.0002437600000000, 0.0010519100000000 ] - [ -0.0005270800000000, 0.0001204700000000, 0.0000754200000000 ] - [ 0.0137243200000000, 0.0141131000000000, 0.0110211400000000 ] - [ -0.0007472800000000, 0.0006595000000000, -0.0004481800000000 ] - [ 0.0004748100000000, -0.0004048400000000, 0.0008338600000000 ] - [ -0.0008190300000000, -0.0006041200000000, -0.0006431700000000 ] - [ 0.0011263700000000, -0.0007399600000000, 0.0002919900000000 ] - [ -0.0011383500000000, -0.0002668500000000, 0.0003211600000000 ] - [ 0.0011251600000000, -0.0001696200000000, -0.0002654700000000 ] - [ -0.0008822300000000, -0.0005616600000000, -0.0000834700000000 ] - [ -0.0002470600000000, -0.0000287800000000, -0.0003640900000000 ] - [ -0.0009487300000000, 0.0002742200000000, 0.0002141800000000 ] - [ 0.0001839700000000, 0.0008616000000000, -0.0007982300000000 ] - [ -0.0007168300000000, 0.0005854500000000, -0.0002103600000000 ] - [ 0.0008058200000000, 0.0002184800000000, 0.0008273300000000 ] - [ -0.0007907500000000, -0.0001056800000000, 0.0006107000000000 ] - [ 0.0000464100000000, 0.0000444300000000, 0.0006265800000000 ] - [ -0.0006782000000000, 0.0001070200000000, 0.0008310800000000 ] - [ 0.0001415900000000, -0.0001018300000000, -0.0008266600000000 ] - [ -0.0008598500000000, -0.0000234100000000, -0.0029712200000000 ] - [ -0.0009335900000000, 0.0002001700000000, -0.0019291900000000 ] - [ 0.0004807700000000, 0.0000977700000000, -0.0000643800000000 ] - [ -0.0005526400000000, 0.0000796600000000, -0.0008953700000000 ] - [ -0.0014581200000000, -0.0011597500000000, 0.0014166400000000 ] - [ -0.0003770700000000, -0.0010655000000000, -0.0012173600000000 ] - [ -0.0006797900000000, 0.0005466200000000, 0.0005577600000000 ] - [ -0.0003696800000000, -0.0001963200000000, 0.0004910800000000 ] - [ 0.0007872800000000, 0.0011419700000000, -0.0005013500000000 ] - [ 0.0000026700000000, 0.0010704000000000, 0.0000257200000000 ] - [ 0.0011014400000000, -0.0004563200000000, -0.0008543900000000 ] - [ -0.0004983800000000, 0.0020361600000000, 0.0006438600000000 ] - [ 0.0000211900000000, 0.0002735500000000, 0.0004104200000000 ] - [ 0.0004221700000000, -0.0000114300000000, 0.0010052100000000 ] - [ 0.0000828800000000, -0.0002902200000000, 0.0006353600000000 ] - [ -0.0007549700000000, -0.0018873900000000, -0.0002720500000000 ] - [ -0.0003130200000000, 0.0003492900000000, -0.0002981200000000 ] - [ 0.0002632500000000, -0.0003945300000000, 0.0003514800000000 ] - [ -0.0001906800000000, -0.0002349300000000, -0.0000474900000000 ] - [ 0.0007596600000000, -0.0001766100000000, -0.0012422400000000 ] - [ -0.0006302700000000, -0.0002082200000000, -0.0005474300000000 ] - [ -0.0005863600000000, 0.0002120200000000, -0.0003617100000000 ] - [ -0.0005453100000000, 0.0001917500000000, -0.0005282800000000 ]- atom: 53 displacement: [ -0.0099872533903921, 0.0000000000000000, 0.0005047471803797 ] forces: - [ 0.0012406200000000, 0.0038265300000000, 0.0016794700000000 ] - [ -0.0003325400000000, 0.0000671000000000, -0.0008211700000000 ] - [ -0.0008080100000000, -0.0005726100000000, 0.0000092100000000 ] - [ -0.0002944800000000, -0.0000774300000000, -0.0007641900000000 ] - [ 0.0004912800000000, 0.0003082500000000, 0.0010379900000000 ] - [ -0.0003867300000000, 0.0002253500000000, 0.0004597600000000 ] - [ -0.0000311000000000, -0.0005238500000000, 0.0004061200000000 ] - [ -0.0002843800000000, -0.0002343700000000, 0.0004216300000000 ] - [ 0.0023014400000000, -0.0040069700000000, 0.0026131900000000 ] - [ 0.0002292800000000, -0.0004952400000000, 0.0002746100000000 ] - [ -0.0001333300000000, 0.0007059200000000, 0.0000920700000000 ] - [ 0.0002417900000000, 0.0005258000000000, 0.0003348200000000 ] - [ 0.0002273300000000, 0.0002090300000000, 0.0001861500000000 ] - [ -0.0005942300000000, -0.0005032900000000, -0.0001708400000000 ] - [ -0.0001401100000000, 0.0008018900000000, -0.0002641300000000 ] - [ -0.0004695900000000, 0.0005042400000000, -0.0002191700000000 ] - [ 0.0014133300000000, -0.0002853500000000, 0.0002683600000000 ] - [ -0.0003345000000000, 0.0000884100000000, 0.0008290500000000 ] - [ 0.0007372400000000, 0.0017837000000000, 0.0027041700000000 ] - [ -0.0005546400000000, -0.0001419900000000, 0.0007986700000000 ] - [ 0.0011809000000000, -0.0019747600000000, 0.0017289700000000 ] - [ -0.0008944900000000, -0.0001194800000000, 0.0004824700000000 ] - [ 0.0001581200000000, 0.0002334200000000, 0.0004123400000000 ] - [ -0.0007239800000000, 0.0001947600000000, 0.0004580600000000 ] - [ -0.0000361100000000, -0.0002014600000000, -0.0004794200000000 ] - [ 0.0004913300000000, 0.0006903200000000, -0.0006916100000000 ] - [ 0.0004537600000000, 0.0006251500000000, -0.0008437700000000 ] - [ 0.0007612100000000, -0.0000694800000000, -0.0000005100000000 ] - [ -0.0000827500000000, -0.0002824100000000, -0.0011975500000000 ] - [ 0.0004842400000000, 0.0004663500000000, -0.0005799500000000 ] - [ -0.0005469200000000, -0.0000059200000000, -0.0007362600000000 ] - [ 0.0001187200000000, -0.0002764100000000, -0.0006733200000000 ] - [ -0.0022113000000000, -0.0001116800000000, 0.0005082900000000 ] - [ -0.0008189300000000, -0.0010359900000000, -0.0000490400000000 ] - [ 0.0004289400000000, 0.0001851900000000, 0.0002592800000000 ] - [ 0.0002365200000000, 0.0005444000000000, 0.0000372000000000 ] - [ 0.0004605300000000, -0.0006145600000000, -0.0013789100000000 ] - [ -0.0010100800000000, -0.0009764500000000, -0.0001799000000000 ] - [ -0.0003688900000000, 0.0004534100000000, 0.0000111100000000 ] - [ -0.0006861200000000, 0.0006816700000000, -0.0003236300000000 ] - [ -0.0030058200000000, -0.0004099300000000, -0.0000230600000000 ] - [ -0.0008148900000000, 0.0006171600000000, -0.0005281800000000 ] - [ 0.0002952000000000, 0.0000199400000000, -0.0004214000000000 ] - [ -0.0000040100000000, -0.0002467600000000, -0.0006025200000000 ] - [ 0.0012065600000000, -0.0001971200000000, -0.0006577300000000 ] - [ -0.0004172600000000, 0.0003945500000000, 0.0008874800000000 ] - [ 0.0001776500000000, 0.0000075700000000, 0.0010637000000000 ] - [ -0.0001288400000000, -0.0002859800000000, 0.0007758800000000 ] - [ 0.0006360300000000, 0.0005313700000000, 0.0004502100000000 ] - [ -0.0008565100000000, 0.0005827800000000, 0.0002792500000000 ] - [ -0.0010335400000000, -0.0001233000000000, 0.0000518300000000 ] - [ -0.0007530200000000, -0.0005496100000000, 0.0001886000000000 ] - [ 0.1025134500000000, -0.0042271900000000, -0.0093781600000000 ] - [ -0.0004295600000000, -0.0000788000000000, 0.0001589700000000 ] - [ 0.0008454900000000, -0.0000883600000000, 0.0005660100000000 ] - [ -0.0006760800000000, 0.0001322000000000, -0.0002046900000000 ] - [ 0.0000602800000000, -0.0002703600000000, -0.0017511400000000 ] - [ 0.0000481300000000, -0.0000575000000000, 0.0002070600000000 ] - [ -0.0014680300000000, 0.0001278600000000, -0.0001282000000000 ] - [ -0.0000278600000000, 0.0000625200000000, 0.0000825900000000 ] - [ -0.0039988200000000, 0.0003900700000000, -0.0046411200000000 ] - [ -0.0008972500000000, 0.0008907600000000, 0.0007843000000000 ] - [ -0.0016980600000000, -0.0006206800000000, 0.0007713300000000 ] - [ -0.0010255000000000, -0.0007274800000000, -0.0032033400000000 ] - [ -0.0665714300000000, -0.0010968600000000, 0.0333861900000000 ] - [ 0.0011859400000000, -0.0002248000000000, 0.0003781200000000 ] - [ 0.0000472800000000, 0.0002990000000000, 0.0005386600000000 ] - [ 0.0009556700000000, 0.0001889000000000, 0.0005778900000000 ] - [ -0.0166279800000000, 0.0178034800000000, -0.0138974800000000 ] - [ 0.0006556600000000, -0.0000784300000000, 0.0003329100000000 ] - [ -0.0003952800000000, 0.0004838600000000, -0.0004684400000000 ] - [ 0.0006852700000000, 0.0001186800000000, 0.0005149000000000 ] - [ -0.0139275500000000, -0.0128573100000000, -0.0118591600000000 ] - [ 0.0004727400000000, 0.0005788800000000, -0.0004186800000000 ] - [ -0.0007436000000000, -0.0008368000000000, -0.0017130600000000 ] - [ 0.0005427200000000, -0.0006362500000000, -0.0002232700000000 ] - [ -0.0025480500000000, 0.0000662200000000, 0.0004026900000000 ] - [ -0.0002849400000000, -0.0004065100000000, 0.0003634800000000 ] - [ -0.0019653400000000, -0.0007690000000000, 0.0000924900000000 ] - [ 0.0000406100000000, -0.0003729400000000, -0.0001016600000000 ] - [ -0.0011565400000000, 0.0007016700000000, 0.0010362300000000 ] - [ -0.0004756700000000, 0.0003985100000000, 0.0004712600000000 ] - [ -0.0010077500000000, 0.0000671400000000, 0.0006040300000000 ] - [ -0.0001257900000000, 0.0003479400000000, 0.0000259900000000 ] - [ -0.0013492400000000, -0.0003931900000000, 0.0007981600000000 ] - [ 0.0002276300000000, -0.0000681100000000, 0.0010137600000000 ] - [ -0.0006035300000000, 0.0001288400000000, 0.0010036000000000 ] - [ 0.0001142200000000, 0.0000662900000000, 0.0007913300000000 ] - [ 0.0004063500000000, -0.0000726500000000, -0.0007975400000000 ] - [ 0.0013951400000000, -0.0001497900000000, 0.0013084600000000 ] - [ 0.0014916500000000, -0.0000278400000000, 0.0003040400000000 ] - [ 0.0000903800000000, 0.0000760300000000, -0.0015533700000000 ] - [ 0.0013919700000000, -0.0010172000000000, 0.0010915000000000 ] - [ 0.0022805700000000, 0.0002114200000000, -0.0012125200000000 ] - [ 0.0017980900000000, 0.0003967900000000, 0.0005406900000000 ] - [ 0.0020900200000000, -0.0012048700000000, -0.0012297400000000 ] - [ 0.0012062400000000, 0.0011295900000000, -0.0003071600000000 ] - [ 0.0000575900000000, -0.0001978700000000, 0.0006792100000000 ] - [ 0.0014158100000000, -0.0003980700000000, -0.0007121800000000 ] - [ 0.0003248500000000, 0.0011176700000000, 0.0001635400000000 ] - [ 0.0007742000000000, -0.0008091800000000, 0.0002232300000000 ] - [ 0.0002507400000000, 0.0009582500000000, 0.0004569400000000 ] - [ -0.0001594500000000, -0.0012340700000000, -0.0001468600000000 ] - [ 0.0001907300000000, -0.0009428500000000, 0.0002345000000000 ] - [ 0.0005978300000000, 0.0016656700000000, -0.0003178300000000 ] - [ 0.0001497700000000, -0.0005794200000000, -0.0002910800000000 ] - [ -0.0004346600000000, 0.0006368700000000, -0.0009504400000000 ] - [ 0.0000290600000000, 0.0004661100000000, -0.0005386400000000 ] - [ -0.0012665200000000, -0.0002429300000000, 0.0000965500000000 ] - [ 0.0001452600000000, -0.0002138000000000, -0.0006168800000000 ] - [ 0.0001067200000000, 0.0002089100000000, -0.0008064800000000 ] - [ 0.0000615100000000, 0.0002291700000000, -0.0006351400000000 ]- atom: 53 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0018790300000000, -0.0000566800000000, 0.0011032800000000 ] - [ -0.0000671800000000, 0.0001400100000000, -0.0007596600000000 ] - [ 0.0013490000000000, 0.0007213400000000, 0.0033514600000000 ] - [ -0.0001013000000000, -0.0001963500000000, -0.0007809200000000 ] - [ 0.0005260500000000, 0.0054224300000000, 0.0016989400000000 ] - [ -0.0001119200000000, 0.0002530900000000, 0.0004763600000000 ] - [ -0.0000322700000000, -0.0001148100000000, 0.0007859900000000 ] - [ -0.0001325700000000, -0.0002399600000000, 0.0004841500000000 ] - [ 0.0019909700000000, -0.0005079900000000, -0.0015948400000000 ] - [ 0.0004536000000000, -0.0006150100000000, 0.0003091500000000 ] - [ -0.0002707300000000, 0.0000904100000000, -0.0040079300000000 ] - [ 0.0004653400000000, 0.0005591500000000, 0.0003202200000000 ] - [ -0.0012920700000000, 0.0047319500000000, -0.0014043700000000 ] - [ -0.0003208500000000, -0.0005137600000000, -0.0001765700000000 ] - [ -0.0003623600000000, 0.0005178900000000, -0.0004938300000000 ] - [ -0.0002907200000000, 0.0005036400000000, -0.0001839800000000 ] - [ 0.0002395900000000, -0.0004115000000000, 0.0011615700000000 ] - [ 0.0000751300000000, 0.0000543300000000, 0.0008363600000000 ] - [ -0.0036723900000000, -0.0009101500000000, 0.0033519300000000 ] - [ 0.0000727100000000, -0.0000646700000000, 0.0008532200000000 ] - [ 0.0034449800000000, 0.0024500500000000, -0.0012115100000000 ] - [ -0.0003648100000000, -0.0001202500000000, 0.0005615800000000 ] - [ -0.0003767200000000, 0.0001388900000000, 0.0000862600000000 ] - [ -0.0003764400000000, 0.0002522200000000, 0.0005072900000000 ] - [ 0.0003111200000000, -0.0002267600000000, -0.0004424700000000 ] - [ 0.0000615400000000, -0.0004451000000000, -0.0005936900000000 ] - [ 0.0002596000000000, 0.0001127100000000, -0.0004748600000000 ] - [ 0.0007029200000000, 0.0001019500000000, -0.0007602200000000 ] - [ 0.0000171200000000, 0.0000902600000000, -0.0009031500000000 ] - [ -0.0002724800000000, 0.0004792400000000, -0.0009165900000000 ] - [ -0.0000391800000000, -0.0000613200000000, -0.0008448600000000 ] - [ 0.0004714200000000, 0.0000387200000000, -0.0004898700000000 ] - [ 0.0011159300000000, -0.0008524300000000, 0.0006236800000000 ] - [ 0.0005010400000000, -0.0006709800000000, 0.0004486600000000 ] - [ 0.0003478400000000, 0.0004595900000000, 0.0002197400000000 ] - [ 0.0002457100000000, 0.0004752100000000, 0.0001689200000000 ] - [ -0.0033141700000000, 0.0016604900000000, -0.0007922100000000 ] - [ -0.0002776500000000, -0.0003845000000000, -0.0003928700000000 ] - [ -0.0004674500000000, 0.0006758900000000, -0.0002746300000000 ] - [ -0.0004977600000000, 0.0006102600000000, -0.0003302700000000 ] - [ -0.0002854200000000, 0.0000187700000000, -0.0012233000000000 ] - [ -0.0000182100000000, 0.0001146700000000, -0.0007369600000000 ] - [ 0.0001471200000000, -0.0004625700000000, -0.0005829500000000 ] - [ 0.0001138600000000, -0.0003144100000000, -0.0004224700000000 ] - [ 0.0032741100000000, 0.0025798000000000, 0.0011338200000000 ] - [ -0.0001280800000000, 0.0003399900000000, 0.0008678500000000 ] - [ 0.0000867000000000, -0.0001737100000000, 0.0007014700000000 ] - [ 0.0001316900000000, -0.0001805300000000, 0.0007921800000000 ] - [ -0.0005108300000000, 0.0049396800000000, 0.0005232600000000 ] - [ -0.0002851500000000, 0.0006037900000000, 0.0003570900000000 ] - [ -0.0002363000000000, 0.0044132100000000, -0.0000067100000000 ] - [ -0.0003265400000000, -0.0004725500000000, 0.0003675400000000 ] - [ 0.0049283000000000, -0.1025477400000000, 0.0032804300000000 ] - [ 0.0002263400000000, -0.0001853600000000, 0.0000056000000000 ] - [ 0.0000723900000000, -0.0002292500000000, 0.0002279900000000 ] - [ 0.0002794700000000, 0.0001079300000000, 0.0000216600000000 ] - [ -0.0004169100000000, -0.0008053400000000, 0.0001004700000000 ] - [ -0.0001994800000000, 0.0003565800000000, -0.0000017500000000 ] - [ -0.0002729500000000, 0.0014524500000000, 0.0000841600000000 ] - [ -0.0002041300000000, 0.0004479500000000, 0.0000395500000000 ] - [ 0.0008483100000000, -0.0021999100000000, -0.0003028700000000 ] - [ 0.0002593100000000, -0.0014364200000000, -0.0004409400000000 ] - [ 0.0004094200000000, -0.0004842100000000, -0.0002790900000000 ] - [ 0.0001647900000000, -0.0009485000000000, -0.0005795400000000 ] - [ 0.0015355700000000, 0.0089916700000000, 0.0006796100000000 ] - [ 0.0002592100000000, -0.0000767200000000, 0.0005750100000000 ] - [ 0.0001674200000000, 0.0012687000000000, 0.0000646400000000 ] - [ 0.0002418800000000, 0.0002441200000000, 0.0005744300000000 ] - [ -0.0187607600000000, 0.0457466400000000, -0.0317588800000000 ] - [ 0.0000945500000000, -0.0000295000000000, 0.0003119600000000 ] - [ 0.0000176100000000, 0.0002348900000000, 0.0003883800000000 ] - [ 0.0000625300000000, 0.0001146000000000, 0.0002713800000000 ] - [ 0.0121357100000000, 0.0411064200000000, 0.0284614700000000 ] - [ -0.0001680100000000, 0.0007054300000000, -0.0004649500000000 ] - [ -0.0000870800000000, -0.0002788700000000, -0.0006444700000000 ] - [ -0.0001399100000000, -0.0005743500000000, -0.0004532800000000 ] - [ -0.0002059000000000, -0.0038348900000000, -0.0026498900000000 ] - [ -0.0007301800000000, -0.0003225600000000, 0.0003392000000000 ] - [ -0.0010914500000000, -0.0038139100000000, 0.0025267300000000 ] - [ -0.0004157200000000, -0.0004827100000000, -0.0000932600000000 ] - [ -0.0002960700000000, -0.0023969000000000, -0.0011805600000000 ] - [ -0.0007838600000000, 0.0002847600000000, 0.0003373000000000 ] - [ -0.0009525200000000, -0.0016398300000000, 0.0016889000000000 ] - [ -0.0003302100000000, 0.0004235700000000, -0.0001046600000000 ] - [ -0.0006939700000000, -0.0031448300000000, 0.0011380500000000 ] - [ -0.0002822000000000, -0.0000074800000000, 0.0008068800000000 ] - [ -0.0003236900000000, -0.0008826400000000, 0.0007324800000000 ] - [ -0.0002833900000000, 0.0000827400000000, 0.0008248600000000 ] - [ 0.0002499800000000, -0.0002662300000000, -0.0008240100000000 ] - [ 0.0004501200000000, 0.0003926800000000, -0.0006183800000000 ] - [ 0.0001405100000000, -0.0001020600000000, -0.0009057600000000 ] - [ 0.0004938000000000, 0.0004483800000000, -0.0008911400000000 ] - [ 0.0003421800000000, 0.0007711700000000, 0.0006520600000000 ] - [ -0.0015540600000000, 0.0002946900000000, 0.0006766900000000 ] - [ 0.0007937000000000, 0.0006513200000000, -0.0010112500000000 ] - [ 0.0026446800000000, 0.0001673900000000, -0.0007313500000000 ] - [ 0.0003903200000000, 0.0003978200000000, 0.0000528500000000 ] - [ 0.0005313400000000, 0.0005562500000000, 0.0001752700000000 ] - [ 0.0007010400000000, 0.0003550100000000, -0.0003270100000000 ] - [ 0.0005628100000000, 0.0005339900000000, -0.0003885700000000 ] - [ -0.0002058500000000, 0.0012971000000000, 0.0002506600000000 ] - [ -0.0000457700000000, 0.0005459900000000, 0.0004359700000000 ] - [ -0.0005102100000000, -0.0020247800000000, -0.0007025800000000 ] - [ 0.0001938600000000, -0.0007828100000000, 0.0002842000000000 ] - [ 0.0002165700000000, 0.0004345300000000, -0.0001031700000000 ] - [ 0.0000127900000000, -0.0002407500000000, -0.0002979400000000 ] - [ 0.0005440600000000, -0.0012450800000000, 0.0008206600000000 ] - [ -0.0001633200000000, 0.0000347600000000, -0.0001655200000000 ] - [ -0.0001701000000000, -0.0029206200000000, -0.0005268900000000 ] - [ -0.0002404800000000, -0.0003589100000000, -0.0005681200000000 ] - [ -0.0002787500000000, 0.0001045400000000, -0.0005151400000000 ] - [ -0.0002581300000000, 0.0001554200000000, -0.0005887900000000 ]- atom: 53 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0016665900000000, 0.0003758300000000, -0.0026485500000000 ] - [ -0.0001324700000000, 0.0002077600000000, -0.0007876200000000 ] - [ -0.0015574900000000, -0.0010873900000000, -0.0049094600000000 ] - [ -0.0000993100000000, -0.0001505300000000, -0.0007666900000000 ] - [ -0.0007750700000000, -0.0048649900000000, -0.0007547400000000 ] - [ -0.0001395600000000, 0.0002526700000000, 0.0004706300000000 ] - [ -0.0002235500000000, -0.0003894000000000, 0.0001600600000000 ] - [ -0.0001183000000000, -0.0002660500000000, 0.0004613400000000 ] - [ -0.0010522200000000, -0.0006515800000000, 0.0022245100000000 ] - [ 0.0004949100000000, -0.0005743200000000, 0.0003215600000000 ] - [ 0.0012076700000000, 0.0011141400000000, 0.0046117000000000 ] - [ 0.0004831700000000, 0.0006315000000000, 0.0003098500000000 ] - [ 0.0007157700000000, -0.0057973300000000, 0.0010575200000000 ] - [ -0.0002618500000000, -0.0005045400000000, -0.0001676800000000 ] - [ -0.0002234200000000, 0.0004958300000000, 0.0001489700000000 ] - [ -0.0002912300000000, 0.0005132400000000, -0.0001611600000000 ] - [ -0.0000816800000000, 0.0005024500000000, 0.0004965700000000 ] - [ 0.0000852700000000, 0.0000465600000000, 0.0008225800000000 ] - [ 0.0038493400000000, 0.0008157300000000, -0.0016974500000000 ] - [ 0.0000861600000000, -0.0000421000000000, 0.0008067900000000 ] - [ -0.0041854300000000, -0.0029102000000000, 0.0021979200000000 ] - [ -0.0003939400000000, -0.0003558400000000, 0.0004419200000000 ] - [ -0.0003823400000000, 0.0003452400000000, 0.0009238800000000 ] - [ -0.0003815800000000, 0.0002249400000000, 0.0004978600000000 ] - [ 0.0004476700000000, -0.0002438300000000, -0.0005622300000000 ] - [ 0.0007035900000000, -0.0000217000000000, -0.0004107000000000 ] - [ 0.0005000000000000, 0.0003626000000000, -0.0005298300000000 ] - [ 0.0000595100000000, 0.0003746400000000, -0.0002450400000000 ] - [ -0.0001756700000000, 0.0000162200000000, -0.0007577900000000 ] - [ 0.0001182500000000, -0.0003759500000000, -0.0007454000000000 ] - [ -0.0001195600000000, -0.0000446500000000, -0.0008139800000000 ] - [ -0.0006192000000000, -0.0001467400000000, -0.0011652900000000 ] - [ -0.0005133600000000, -0.0001905300000000, -0.0002745500000000 ] - [ 0.0000794800000000, -0.0003512600000000, -0.0001011500000000 ] - [ 0.0002327200000000, 0.0005582100000000, 0.0001231200000000 ] - [ 0.0003378800000000, 0.0005434700000000, 0.0001742000000000 ] - [ 0.0023566600000000, -0.0028402700000000, 0.0001471200000000 ] - [ -0.0006687200000000, -0.0008064400000000, -0.0002378600000000 ] - [ -0.0004810400000000, 0.0005165600000000, -0.0003548600000000 ] - [ -0.0004504000000000, 0.0005800600000000, -0.0002991900000000 ] - [ 0.0005525100000000, 0.0005160400000000, 0.0002847000000000 ] - [ 0.0002671400000000, 0.0003960900000000, -0.0002050500000000 ] - [ 0.0001016700000000, -0.0000423400000000, -0.0003660900000000 ] - [ 0.0001387100000000, -0.0001914300000000, -0.0005247400000000 ] - [ -0.0030854500000000, -0.0022418200000000, 0.0004002100000000 ] - [ 0.0003303200000000, 0.0000064000000000, 0.0006791400000000 ] - [ 0.0001126000000000, -0.0001769000000000, 0.0008463600000000 ] - [ 0.0000698100000000, -0.0001690600000000, 0.0007559200000000 ] - [ -0.0001416400000000, -0.0037636100000000, 0.0002176300000000 ] - [ -0.0003372000000000, 0.0005677700000000, 0.0003685800000000 ] - [ -0.0004089000000000, -0.0055816600000000, 0.0007384600000000 ] - [ -0.0002970400000000, -0.0006986700000000, 0.0003572300000000 ] - [ -0.0034110600000000, 0.1021498800000000, -0.0002331800000000 ] - [ 0.0002922900000000, -0.0000401600000000, -0.0000064900000000 ] - [ 0.0004466200000000, 0.0004558400000000, -0.0002418600000000 ] - [ 0.0002357900000000, 0.0001179200000000, -0.0000301300000000 ] - [ -0.0001097600000000, 0.0005798100000000, -0.0000755500000000 ] - [ -0.0003083700000000, -0.0005816000000000, 0.0000091200000000 ] - [ -0.0002484100000000, -0.0012253000000000, -0.0000832000000000 ] - [ -0.0003075100000000, -0.0002226000000000, -0.0000340900000000 ] - [ -0.0001954600000000, 0.0033704700000000, -0.0003987500000000 ] - [ 0.0003647400000000, 0.0026102400000000, -0.0002840600000000 ] - [ 0.0002216800000000, -0.0006869500000000, -0.0004701500000000 ] - [ 0.0004528800000000, -0.0002229000000000, -0.0001711300000000 ] - [ -0.0009638700000000, -0.0094045300000000, 0.0003517100000000 ] - [ 0.0002241800000000, -0.0003449900000000, 0.0005859500000000 ] - [ 0.0003214800000000, -0.0008471100000000, 0.0011100800000000 ] - [ 0.0002401700000000, 0.0001777000000000, 0.0005911000000000 ] - [ 0.0182454800000000, -0.0445234700000000, 0.0309146300000000 ] - [ 0.0000656500000000, -0.0002066600000000, 0.0002773400000000 ] - [ 0.0001484500000000, -0.0000028500000000, 0.0002074600000000 ] - [ 0.0001003400000000, 0.0001211600000000, 0.0003207100000000 ] - [ -0.0128555700000000, -0.0411951200000000, -0.0307400900000000 ] - [ -0.0001055500000000, 0.0005307300000000, -0.0004029900000000 ] - [ -0.0001815800000000, -0.0009537200000000, -0.0002150100000000 ] - [ -0.0001312400000000, -0.0006617700000000, -0.0004122100000000 ] - [ -0.0012187900000000, 0.0031547400000000, 0.0033046400000000 ] - [ -0.0006912500000000, -0.0003481600000000, 0.0003458300000000 ] - [ 0.0002517300000000, 0.0028894400000000, -0.0027386200000000 ] - [ -0.0004250300000000, -0.0004549000000000, -0.0000919100000000 ] - [ -0.0011191100000000, 0.0030730900000000, 0.0018648700000000 ] - [ -0.0006376800000000, 0.0003860700000000, 0.0003476800000000 ] - [ 0.0001152600000000, 0.0025669900000000, -0.0018663500000000 ] - [ -0.0005103100000000, 0.0005130700000000, -0.0000800900000000 ] - [ 0.0001340200000000, 0.0029682500000000, 0.0004980800000000 ] - [ -0.0002777200000000, -0.0001651600000000, 0.0008182900000000 ] - [ -0.0002344400000000, 0.0010548500000000, 0.0008787100000000 ] - [ -0.0002781200000000, 0.0000905400000000, 0.0008004300000000 ] - [ 0.0002892500000000, 0.0000925500000000, -0.0007841300000000 ] - [ 0.0001378500000000, -0.0005692100000000, -0.0009801500000000 ] - [ 0.0004222300000000, 0.0002756500000000, -0.0007193600000000 ] - [ 0.0000641600000000, -0.0002751300000000, -0.0007326300000000 ] - [ 0.0005021000000000, -0.0017028400000000, -0.0004736500000000 ] - [ 0.0023919400000000, -0.0012241500000000, -0.0004952400000000 ] - [ 0.0006297600000000, -0.0013252100000000, 0.0003204000000000 ] - [ -0.0012324000000000, -0.0008452300000000, 0.0000443000000000 ] - [ 0.0004465300000000, 0.0005315200000000, 0.0001365100000000 ] - [ 0.0003036400000000, 0.0003729600000000, 0.0000124700000000 ] - [ 0.0007175300000000, 0.0003235700000000, -0.0003533500000000 ] - [ 0.0008540900000000, 0.0001457000000000, -0.0002925200000000 ] - [ 0.0004788400000000, -0.0000479400000000, 0.0006112000000000 ] - [ 0.0003122700000000, 0.0006941200000000, 0.0004291200000000 ] - [ 0.0007832400000000, 0.0007861400000000, 0.0015693700000000 ] - [ 0.0000755400000000, -0.0004553600000000, 0.0005825300000000 ] - [ -0.0003767300000000, -0.0006819600000000, -0.0004940100000000 ] - [ -0.0001783800000000, 0.0000002000000000, -0.0002949800000000 ] - [ -0.0007035000000000, 0.0014787400000000, -0.0014097200000000 ] - [ -0.0000016200000000, 0.0002027800000000, -0.0004259900000000 ] - [ -0.0002905900000000, 0.0024963100000000, -0.0006422400000000 ] - [ -0.0002471900000000, -0.0000624600000000, -0.0005953500000000 ] - [ -0.0001998800000000, 0.0003172200000000, -0.0006486600000000 ] - [ -0.0002284600000000, 0.0002663500000000, -0.0005738700000000 ]- atom: 53 displacement: [ -0.0007714822112317, 0.0000000000000000, 0.0099701963470011 ] forces: - [ -0.0007039300000000, 0.0038145000000000, 0.0023889200000000 ] - [ -0.0001120500000000, 0.0001456000000000, -0.0008123800000000 ] - [ 0.0006077800000000, 0.0004088500000000, 0.0010080500000000 ] - [ -0.0001529600000000, -0.0002105600000000, -0.0007313800000000 ] - [ -0.0009455000000000, -0.0010607700000000, -0.0029355000000000 ] - [ -0.0001199400000000, 0.0002373000000000, 0.0003395800000000 ] - [ -0.0001418600000000, -0.0002708600000000, 0.0012045600000000 ] - [ -0.0001677100000000, -0.0002838800000000, 0.0005840800000000 ] - [ -0.0002120700000000, -0.0044598400000000, 0.0037864800000000 ] - [ 0.0004235600000000, -0.0005868600000000, 0.0002847800000000 ] - [ 0.0013963100000000, -0.0004348100000000, 0.0023753100000000 ] - [ 0.0004356600000000, 0.0006198800000000, 0.0003541100000000 ] - [ -0.0011384100000000, 0.0010524600000000, -0.0037301100000000 ] - [ -0.0002601600000000, -0.0004865700000000, -0.0003142900000000 ] - [ -0.0003129100000000, 0.0005731800000000, 0.0005835300000000 ] - [ -0.0003414000000000, 0.0005496100000000, -0.0000505400000000 ] - [ 0.0007648100000000, 0.0007868100000000, 0.0023370600000000 ] - [ -0.0001377700000000, 0.0002859700000000, 0.0009732300000000 ] - [ -0.0032152100000000, 0.0013489100000000, 0.0036824400000000 ] - [ 0.0001502600000000, 0.0000541800000000, 0.0008680300000000 ] - [ -0.0029060500000000, -0.0017835700000000, 0.0015293000000000 ] - [ -0.0003594000000000, -0.0002727900000000, 0.0006614800000000 ] - [ -0.0003966600000000, 0.0002048400000000, 0.0008725700000000 ] - [ -0.0004989100000000, 0.0001591000000000, 0.0004909500000000 ] - [ 0.0001916200000000, -0.0003859900000000, -0.0003773900000000 ] - [ 0.0007914400000000, -0.0006782500000000, -0.0003192700000000 ] - [ 0.0005820600000000, 0.0001909100000000, -0.0005969600000000 ] - [ -0.0001196800000000, 0.0001645900000000, -0.0003289300000000 ] - [ 0.0001511800000000, -0.0000192700000000, -0.0008637900000000 ] - [ -0.0007770500000000, 0.0000263700000000, -0.0004968200000000 ] - [ -0.0003067700000000, -0.0000568500000000, -0.0007064100000000 ] - [ 0.0004304700000000, -0.0000776500000000, -0.0005521000000000 ] - [ -0.0029844300000000, 0.0017533500000000, -0.0000414500000000 ] - [ 0.0008913200000000, -0.0000129600000000, -0.0006508400000000 ] - [ 0.0004387600000000, 0.0005028400000000, 0.0005233200000000 ] - [ 0.0000899500000000, 0.0006761900000000, 0.0006580300000000 ] - [ 0.0023986400000000, -0.0016061600000000, 0.0003120500000000 ] - [ -0.0008204300000000, -0.0007967700000000, -0.0002120500000000 ] - [ -0.0004467900000000, 0.0005268200000000, -0.0000214200000000 ] - [ -0.0003161200000000, 0.0004881000000000, -0.0003225200000000 ] - [ -0.0031377900000000, -0.0022767500000000, -0.0008717500000000 ] - [ 0.0005925700000000, -0.0001778400000000, -0.0013342800000000 ] - [ 0.0002943800000000, -0.0002696900000000, -0.0001567300000000 ] - [ -0.0000497900000000, -0.0004261500000000, 0.0000056900000000 ] - [ 0.0032756700000000, 0.0012850200000000, 0.0008838700000000 ] - [ -0.0002044500000000, 0.0003734700000000, 0.0008461100000000 ] - [ 0.0000684200000000, -0.0000383100000000, 0.0010462900000000 ] - [ 0.0002417200000000, -0.0000445700000000, 0.0007649000000000 ] - [ -0.0021077400000000, 0.0010254500000000, 0.0017394000000000 ] - [ -0.0003363400000000, 0.0005953800000000, 0.0004023300000000 ] - [ -0.0001385000000000, -0.0004056000000000, 0.0026391000000000 ] - [ -0.0003608600000000, -0.0005709300000000, 0.0003841900000000 ] - [ 0.0121038100000000, 0.0013753900000000, -0.1073685200000000 ] - [ 0.0000086200000000, -0.0001039000000000, -0.0006822200000000 ] - [ -0.0001463100000000, -0.0001367700000000, 0.0022250500000000 ] - [ 0.0004158800000000, 0.0000884600000000, 0.0005493200000000 ] - [ 0.0013066400000000, -0.0002126500000000, -0.0039593500000000 ] - [ -0.0004953700000000, -0.0001030700000000, -0.0011351100000000 ] - [ -0.0001679700000000, 0.0001964900000000, 0.0011073400000000 ] - [ -0.0002797400000000, 0.0001455600000000, 0.0007701300000000 ] - [ 0.0052523400000000, 0.0005328600000000, -0.0026623900000000 ] - [ -0.0003716200000000, 0.0005653100000000, -0.0003169000000000 ] - [ -0.0005348100000000, -0.0005978800000000, 0.0017870200000000 ] - [ 0.0018046100000000, -0.0005316800000000, 0.0019433300000000 ] - [ -0.0338480500000000, -0.0004780100000000, 0.0290663900000000 ] - [ 0.0000870400000000, -0.0002114300000000, 0.0011209400000000 ] - [ 0.0003746400000000, 0.0002911600000000, -0.0014172900000000 ] - [ 0.0004037500000000, 0.0002262200000000, 0.0001949600000000 ] - [ 0.0138069400000000, -0.0302409200000000, 0.0344257300000000 ] - [ 0.0003621100000000, -0.0002232200000000, 0.0005035100000000 ] - [ -0.0000094900000000, 0.0000482100000000, -0.0011150500000000 ] - [ -0.0000980500000000, 0.0000768000000000, 0.0000849500000000 ] - [ 0.0094256600000000, 0.0294555500000000, 0.0353539300000000 ] - [ 0.0001142300000000, 0.0007471200000000, -0.0002241300000000 ] - [ -0.0002281500000000, -0.0004349600000000, -0.0023657900000000 ] - [ -0.0003115400000000, -0.0005703200000000, -0.0006741700000000 ] - [ -0.0004177500000000, -0.0027122100000000, -0.0001893200000000 ] - [ -0.0005583700000000, -0.0003982700000000, 0.0004314900000000 ] - [ -0.0002391000000000, 0.0012659900000000, -0.0001869500000000 ] - [ -0.0002807700000000, -0.0003824700000000, 0.0000023700000000 ] - [ -0.0004460600000000, 0.0002408400000000, -0.0009340000000000 ] - [ -0.0007943100000000, 0.0003504800000000, 0.0002891900000000 ] - [ -0.0000187900000000, 0.0005467700000000, -0.0013418000000000 ] - [ -0.0004589200000000, 0.0004474200000000, -0.0001348500000000 ] - [ 0.0008847800000000, 0.0001420800000000, 0.0005383100000000 ] - [ -0.0003655500000000, -0.0000894000000000, 0.0009032900000000 ] - [ -0.0003398000000000, 0.0000030100000000, -0.0003944900000000 ] - [ -0.0001824100000000, 0.0000864200000000, 0.0006741500000000 ] - [ 0.0017760800000000, -0.0000785500000000, -0.0021564100000000 ] - [ -0.0013809400000000, 0.0000394500000000, -0.0010780300000000 ] - [ -0.0005391900000000, 0.0000937100000000, -0.0015460100000000 ] - [ 0.0013007600000000, 0.0001646400000000, -0.0015716100000000 ] - [ -0.0005782300000000, -0.0001713600000000, 0.0021101500000000 ] - [ 0.0016378200000000, -0.0005499300000000, 0.0006329000000000 ] - [ -0.0000546600000000, -0.0005931600000000, 0.0013650100000000 ] - [ 0.0019648500000000, -0.0002464300000000, 0.0001097300000000 ] - [ 0.0007203500000000, 0.0009766700000000, -0.0005355800000000 ] - [ 0.0004127500000000, 0.0008714400000000, -0.0005926600000000 ] - [ 0.0009461300000000, -0.0002448800000000, -0.0009044900000000 ] - [ 0.0006048500000000, -0.0001031800000000, -0.0010136900000000 ] - [ 0.0012452100000000, -0.0012365800000000, 0.0009267000000000 ] - [ 0.0000025100000000, 0.0002896400000000, 0.0008910300000000 ] - [ -0.0005419700000000, -0.0010794700000000, -0.0004525900000000 ] - [ 0.0003030900000000, -0.0008159400000000, 0.0000338300000000 ] - [ 0.0010219300000000, 0.0020349900000000, 0.0003761200000000 ] - [ -0.0001967600000000, 0.0003011800000000, 0.0001327000000000 ] - [ -0.0004351400000000, 0.0002027400000000, -0.0007061000000000 ] - [ 0.0000480200000000, 0.0003377200000000, -0.0006593800000000 ] - [ -0.0036350800000000, 0.0000525700000000, 0.0021849300000000 ] - [ -0.0002309300000000, -0.0002167200000000, -0.0002844000000000 ] - [ -0.0000528600000000, 0.0002101600000000, -0.0013833500000000 ] - [ -0.0000837200000000, 0.0002008800000000, -0.0008507000000000 ]- atom: 53 displacement: [ 0.0007714822112317, 0.0000000000000000, -0.0099701963470011 ] forces: - [ 0.0004862800000000, -0.0034452600000000, -0.0039174000000000 ] - [ -0.0000878600000000, 0.0002027500000000, -0.0007359500000000 ] - [ -0.0008101900000000, -0.0007723400000000, -0.0025448400000000 ] - [ -0.0000477800000000, -0.0001370600000000, -0.0008160200000000 ] - [ 0.0006995900000000, 0.0015578400000000, 0.0038761300000000 ] - [ -0.0001321700000000, 0.0002700500000000, 0.0006090100000000 ] - [ -0.0001110100000000, -0.0002356500000000, -0.0002534600000000 ] - [ -0.0000835900000000, -0.0002226800000000, 0.0003635000000000 ] - [ 0.0011390700000000, 0.0032425500000000, -0.0031339100000000 ] - [ 0.0005238100000000, -0.0006036200000000, 0.0003451600000000 ] - [ -0.0004563100000000, 0.0016459900000000, -0.0017446200000000 ] - [ 0.0005104300000000, 0.0005720800000000, 0.0002763600000000 ] - [ 0.0005603100000000, -0.0020620100000000, 0.0033831400000000 ] - [ -0.0003238400000000, -0.0005321100000000, -0.0000310800000000 ] - [ -0.0002713600000000, 0.0004453600000000, -0.0009241700000000 ] - [ -0.0002416900000000, 0.0004685700000000, -0.0002936000000000 ] - [ -0.0006012000000000, -0.0006756300000000, -0.0006635600000000 ] - [ 0.0002975800000000, -0.0001770500000000, 0.0006869800000000 ] - [ 0.0033951900000000, -0.0014807200000000, -0.0020282900000000 ] - [ 0.0000083700000000, -0.0001622600000000, 0.0007917500000000 ] - [ 0.0021451900000000, 0.0013123200000000, -0.0005219700000000 ] - [ -0.0004011400000000, -0.0002027500000000, 0.0003429400000000 ] - [ -0.0003627100000000, 0.0002709500000000, 0.0001352900000000 ] - [ -0.0002596300000000, 0.0003195700000000, 0.0005132700000000 ] - [ 0.0005664900000000, -0.0000902400000000, -0.0006261700000000 ] - [ -0.0000280500000000, 0.0001989200000000, -0.0006841300000000 ] - [ 0.0001800100000000, 0.0002854600000000, -0.0004103000000000 ] - [ 0.0008788600000000, 0.0003147700000000, -0.0006728400000000 ] - [ -0.0003068100000000, 0.0001198100000000, -0.0007986900000000 ] - [ 0.0006201500000000, 0.0000765300000000, -0.0011624000000000 ] - [ 0.0001459400000000, -0.0000514800000000, -0.0009522900000000 ] - [ -0.0005850800000000, -0.0000297700000000, -0.0011058100000000 ] - [ 0.0035571000000000, -0.0027693900000000, 0.0003942400000000 ] - [ -0.0003065200000000, -0.0010015500000000, 0.0009874900000000 ] - [ 0.0001435800000000, 0.0005140500000000, -0.0001779400000000 ] - [ 0.0004931400000000, 0.0003427800000000, -0.0003112000000000 ] - [ -0.0033394400000000, 0.0004144600000000, -0.0009569600000000 ] - [ -0.0001295900000000, -0.0003963100000000, -0.0004180300000000 ] - [ -0.0005007000000000, 0.0006639500000000, -0.0006062700000000 ] - [ -0.0006305200000000, 0.0007008700000000, -0.0003073000000000 ] - [ 0.0033747300000000, 0.0027798900000000, -0.0000646500000000 ] - [ -0.0003395800000000, 0.0006816200000000, 0.0003792400000000 ] - [ -0.0000430400000000, -0.0002332700000000, -0.0007876200000000 ] - [ 0.0003016900000000, -0.0000796700000000, -0.0009503600000000 ] - [ -0.0030760400000000, -0.0009402400000000, 0.0006488900000000 ] - [ 0.0004026600000000, -0.0000238500000000, 0.0006992200000000 ] - [ 0.0001305600000000, -0.0003097000000000, 0.0005032600000000 ] - [ -0.0000397600000000, -0.0003029000000000, 0.0007834500000000 ] - [ 0.0014707800000000, 0.0001494500000000, -0.0009967700000000 ] - [ -0.0002859400000000, 0.0005760800000000, 0.0003235900000000 ] - [ -0.0005038900000000, -0.0007645300000000, -0.0018992500000000 ] - [ -0.0002630800000000, -0.0005998500000000, 0.0003402900000000 ] - [ -0.0096110000000000, -0.0014824500000000, 0.1080026700000000 ] - [ 0.0005059900000000, -0.0001213000000000, 0.0006745000000000 ] - [ 0.0006616900000000, 0.0003608400000000, -0.0022226400000000 ] - [ 0.0000996200000000, 0.0001373400000000, -0.0005528900000000 ] - [ -0.0018231200000000, -0.0000136200000000, 0.0039593200000000 ] - [ -0.0000178300000000, -0.0001224800000000, 0.0011329400000000 ] - [ -0.0003552800000000, 0.0000280600000000, -0.0010998600000000 ] - [ -0.0002333700000000, 0.0000803800000000, -0.0007605600000000 ] - [ -0.0046112000000000, 0.0006365700000000, 0.0019416500000000 ] - [ 0.0009896800000000, 0.0006090700000000, -0.0003993100000000 ] - [ 0.0011609100000000, -0.0005728900000000, -0.0025217300000000 ] - [ -0.0011668300000000, -0.0006388700000000, -0.0026546000000000 ] - [ 0.0331329300000000, 0.0000491500000000, -0.0273102400000000 ] - [ 0.0003958100000000, -0.0002100000000000, 0.0000436300000000 ] - [ 0.0001168500000000, 0.0001312200000000, 0.0025806700000000 ] - [ 0.0000822800000000, 0.0001953700000000, 0.0009649300000000 ] - [ -0.0140833100000000, 0.0310280000000000, -0.0343909000000000 ] - [ -0.0001981000000000, -0.0000152600000000, 0.0000907100000000 ] - [ 0.0001744800000000, 0.0001903500000000, 0.0017016800000000 ] - [ 0.0002584400000000, 0.0001614100000000, 0.0005080800000000 ] - [ -0.0100471400000000, -0.0293406300000000, -0.0369515100000000 ] - [ -0.0003839500000000, 0.0004915200000000, -0.0006395700000000 ] - [ -0.0000402700000000, -0.0008035900000000, 0.0014898600000000 ] - [ 0.0000381400000000, -0.0006677300000000, -0.0001909400000000 ] - [ -0.0010036400000000, 0.0020275200000000, 0.0008693500000000 ] - [ -0.0008632900000000, -0.0002717800000000, 0.0002542200000000 ] - [ -0.0006022600000000, -0.0021930800000000, -0.0000017000000000 ] - [ -0.0005602100000000, -0.0005557300000000, -0.0001884700000000 ] - [ -0.0009668800000000, 0.0004338900000000, 0.0016103400000000 ] - [ -0.0006290500000000, 0.0003194700000000, 0.0003953800000000 ] - [ -0.0008146100000000, 0.0003864100000000, 0.0011483200000000 ] - [ -0.0003831800000000, 0.0004905700000000, -0.0000512200000000 ] - [ -0.0014422300000000, -0.0003131900000000, 0.0010939300000000 ] - [ -0.0001953200000000, -0.0000819500000000, 0.0007237100000000 ] - [ -0.0002221900000000, 0.0001692300000000, 0.0020144200000000 ] - [ -0.0003800100000000, 0.0000862400000000, 0.0009509700000000 ] - [ -0.0012194200000000, -0.0000936900000000, 0.0005311700000000 ] - [ 0.0019449700000000, -0.0002115100000000, -0.0005275900000000 ] - [ 0.0010969800000000, 0.0000792300000000, -0.0000848100000000 ] - [ -0.0007448700000000, 0.0000083600000000, -0.0000564500000000 ] - [ 0.0014226600000000, -0.0007649800000000, -0.0019142900000000 ] - [ -0.0007791700000000, -0.0003820800000000, -0.0004552900000000 ] - [ 0.0014789000000000, -0.0000783600000000, -0.0020425800000000 ] - [ -0.0005346500000000, -0.0004301500000000, -0.0007989500000000 ] - [ 0.0001202600000000, -0.0000405400000000, 0.0007218400000000 ] - [ 0.0004271100000000, 0.0000688700000000, 0.0007741800000000 ] - [ 0.0004757300000000, 0.0009165100000000, 0.0002203900000000 ] - [ 0.0008154100000000, 0.0007703600000000, 0.0003240700000000 ] - [ -0.0009674000000000, 0.0024699900000000, -0.0000649000000000 ] - [ 0.0002662600000000, 0.0009466900000000, -0.0000238500000000 ] - [ 0.0008085500000000, -0.0001645600000000, 0.0013107100000000 ] - [ -0.0000319300000000, -0.0004235500000000, 0.0008274600000000 ] - [ -0.0011768100000000, -0.0022642700000000, -0.0009730800000000 ] - [ 0.0000317300000000, -0.0005357100000000, -0.0007238000000000 ] - [ 0.0002665800000000, 0.0000404100000000, 0.0001036300000000 ] - [ -0.0002110500000000, -0.0000983600000000, 0.0000623000000000 ] - [ 0.0031526100000000, -0.0004735100000000, -0.0033413500000000 ] - [ -0.0002574300000000, -0.0002044600000000, -0.0008744900000000 ] - [ -0.0004277500000000, 0.0002115800000000, 0.0002174100000000 ] - [ -0.0004027600000000, 0.0002209000000000, -0.0003121900000000 ]- atom: 65 displacement: [ 0.0099872533903921, 0.0000000000000000, -0.0005047471803797 ] forces: - [ 0.0044495100000000, 0.0049278500000000, 0.0017422100000000 ] - [ -0.0004166300000000, 0.0001456800000000, -0.0007876600000000 ] - [ 0.0004317200000000, -0.0003054700000000, 0.0003934600000000 ] - [ -0.0003299700000000, -0.0001299000000000, -0.0008053300000000 ] - [ 0.0000988600000000, -0.0006220400000000, 0.0000273400000000 ] - [ -0.0003909600000000, 0.0002837400000000, 0.0004059600000000 ] - [ 0.0001713100000000, -0.0003605300000000, 0.0007245800000000 ] - [ -0.0003337100000000, -0.0002670400000000, 0.0004641800000000 ] - [ 0.0054819400000000, -0.0052474800000000, 0.0028877900000000 ] - [ 0.0001047700000000, -0.0005973600000000, 0.0003012200000000 ] - [ 0.0009456300000000, 0.0008086400000000, 0.0014562900000000 ] - [ 0.0002274300000000, 0.0005579200000000, 0.0002898400000000 ] - [ -0.0001301800000000, 0.0003858300000000, -0.0006938400000000 ] - [ -0.0005834600000000, -0.0005521500000000, -0.0002234100000000 ] - [ -0.0000618100000000, 0.0006236600000000, 0.0000663000000000 ] - [ -0.0005186400000000, 0.0005390300000000, -0.0001691900000000 ] - [ -0.0001635000000000, -0.0003655100000000, 0.0000564000000000 ] - [ -0.0005237200000000, 0.0005257700000000, 0.0010933100000000 ] - [ -0.0007056300000000, 0.0000414300000000, 0.0016720200000000 ] - [ -0.0004901100000000, -0.0000183100000000, 0.0007021500000000 ] - [ -0.0011337000000000, -0.0007399200000000, 0.0008011400000000 ] - [ -0.0009826400000000, -0.0000987400000000, 0.0005289500000000 ] - [ -0.0002021500000000, 0.0001790000000000, 0.0002582500000000 ] - [ -0.0007824200000000, 0.0001030700000000, 0.0005161100000000 ] - [ -0.0000299100000000, -0.0006714100000000, -0.0002945600000000 ] - [ 0.0002149700000000, 0.0000268900000000, -0.0005574400000000 ] - [ 0.0005778300000000, 0.0005138900000000, -0.0010623600000000 ] - [ 0.0002394800000000, 0.0001762900000000, -0.0002756800000000 ] - [ -0.0000000700000000, -0.0003901000000000, -0.0012498500000000 ] - [ -0.0002882200000000, 0.0001792900000000, -0.0006558800000000 ] - [ -0.0005468600000000, 0.0000271300000000, -0.0007199800000000 ] - [ -0.0003149400000000, -0.0000627000000000, -0.0009167100000000 ] - [ -0.0006370200000000, 0.0006224800000000, 0.0005417900000000 ] - [ -0.0003183800000000, -0.0006886000000000, -0.0000189300000000 ] - [ 0.0006213100000000, 0.0003620800000000, 0.0004486200000000 ] - [ 0.0001009300000000, 0.0005055100000000, 0.0001417200000000 ] - [ 0.0011536900000000, -0.0009623800000000, -0.0006794800000000 ] - [ -0.0009217200000000, -0.0007759800000000, -0.0002686600000000 ] - [ -0.0000205800000000, 0.0005137100000000, 0.0001629800000000 ] - [ -0.0007140800000000, 0.0006391200000000, -0.0003260300000000 ] - [ 0.0080329900000000, 0.0059201200000000, 0.0003724600000000 ] - [ -0.0004030100000000, 0.0003793900000000, -0.0005973600000000 ] - [ 0.0005175400000000, -0.0001329500000000, -0.0002176200000000 ] - [ -0.0000763500000000, -0.0002470900000000, -0.0005142600000000 ] - [ 0.0017057800000000, 0.0003838000000000, 0.0001789600000000 ] - [ -0.0003186400000000, 0.0002830300000000, 0.0008137500000000 ] - [ 0.0005913100000000, -0.0000590600000000, 0.0012333200000000 ] - [ -0.0001527100000000, -0.0002292600000000, 0.0007623700000000 ] - [ 0.0021186200000000, 0.0004229900000000, -0.0001384700000000 ] - [ -0.0009900200000000, 0.0005852900000000, 0.0003831700000000 ] - [ 0.0001370500000000, -0.0004893100000000, 0.0009671200000000 ] - [ -0.0008542000000000, -0.0005422000000000, 0.0001401100000000 ] - [ 0.0671144400000000, 0.0011438700000000, -0.0307478300000000 ] - [ -0.0007138200000000, -0.0000935500000000, -0.0002598700000000 ] - [ 0.0004645700000000, 0.0001597400000000, 0.0002510600000000 ] - [ -0.0004510900000000, 0.0001101500000000, 0.0001237200000000 ] - [ 0.0006140400000000, -0.0001708900000000, -0.0034735800000000 ] - [ -0.0006501300000000, -0.0001139600000000, -0.0000293000000000 ] - [ -0.0006097000000000, 0.0000685800000000, 0.0002050000000000 ] - [ -0.0005579700000000, 0.0000968400000000, 0.0001541300000000 ] - [ 0.0018789700000000, 0.0004815600000000, -0.0045563600000000 ] - [ -0.0006445500000000, 0.0007765200000000, 0.0000982200000000 ] - [ -0.0002781900000000, -0.0006067900000000, 0.0026045100000000 ] - [ -0.0004066000000000, -0.0007085000000000, -0.0011730000000000 ] - [ -0.0830112100000000, -0.0083886500000000, 0.0350068300000000 ] - [ 0.0011800400000000, -0.0002152100000000, 0.0004741200000000 ] - [ -0.0004546200000000, 0.0002424700000000, 0.0000858700000000 ] - [ 0.0009482900000000, 0.0001993600000000, 0.0005053000000000 ] - [ -0.0045284900000000, 0.0056889200000000, -0.0037172500000000 ] - [ 0.0006788800000000, -0.0001995500000000, 0.0004658100000000 ] - [ -0.0005872600000000, 0.0001451800000000, 0.0000391000000000 ] - [ 0.0006164300000000, 0.0001024700000000, 0.0003405900000000 ] - [ -0.0047491800000000, -0.0053354600000000, -0.0046545800000000 ] - [ 0.0004793900000000, 0.0007152400000000, -0.0002722800000000 ] - [ -0.0009417300000000, -0.0004651100000000, -0.0005080600000000 ] - [ 0.0004931800000000, -0.0006310300000000, -0.0004220200000000 ] - [ -0.0012423300000000, 0.0012363500000000, 0.0012466700000000 ] - [ -0.0002147800000000, -0.0005439700000000, 0.0003426900000000 ] - [ -0.0011157000000000, -0.0015491500000000, 0.0006405900000000 ] - [ 0.0001405300000000, -0.0001950200000000, -0.0001204600000000 ] - [ -0.0006118800000000, 0.0000261600000000, -0.0004034600000000 ] - [ -0.0004734600000000, 0.0004236100000000, 0.0005066300000000 ] - [ -0.0003014200000000, 0.0006928800000000, -0.0007782200000000 ] - [ -0.0001127300000000, 0.0003139400000000, 0.0000920800000000 ] - [ -0.0003498500000000, -0.0000002200000000, 0.0006767000000000 ] - [ 0.0002324100000000, -0.0000997400000000, 0.0010264300000000 ] - [ -0.0006498300000000, 0.0001373500000000, 0.0010524600000000 ] - [ 0.0001772600000000, 0.0000646100000000, 0.0007362500000000 ] - [ 0.0036672500000000, -0.0000283400000000, -0.0039415500000000 ] - [ 0.0014432300000000, -0.0000776400000000, 0.0000988300000000 ] - [ 0.0004909400000000, 0.0000105400000000, -0.0002804400000000 ] - [ 0.0005814700000000, 0.0001194200000000, -0.0011717000000000 ] - [ 0.0013503400000000, -0.0013325900000000, 0.0031618700000000 ] - [ 0.0017491300000000, -0.0002077700000000, -0.0005127800000000 ] - [ 0.0013564900000000, 0.0004053100000000, 0.0019650600000000 ] - [ 0.0016322400000000, -0.0006652700000000, -0.0006637500000000 ] - [ 0.0010962600000000, 0.0014694400000000, -0.0008262400000000 ] - [ 0.0004633400000000, 0.0002339300000000, 0.0003678700000000 ] - [ 0.0013153500000000, -0.0007608500000000, -0.0011518800000000 ] - [ 0.0007133600000000, 0.0006263900000000, -0.0001178700000000 ] - [ 0.0008057100000000, -0.0021772000000000, 0.0002371500000000 ] - [ 0.0005328300000000, 0.0006787300000000, 0.0005441900000000 ] - [ -0.0004361300000000, -0.0008033600000000, 0.0001144200000000 ] - [ 0.0004681600000000, -0.0007473000000000, 0.0003540300000000 ] - [ 0.0004533900000000, 0.0031890500000000, -0.0001654600000000 ] - [ 0.0003169200000000, -0.0002358000000000, -0.0001849500000000 ] - [ -0.0007524600000000, 0.0003129900000000, -0.0007034000000000 ] - [ 0.0002423900000000, 0.0002888500000000, -0.0003869300000000 ] - [ -0.0024956900000000, -0.0001193900000000, 0.0006052800000000 ] - [ 0.0003660900000000, -0.0002162700000000, -0.0006320500000000 ] - [ -0.0006244500000000, 0.0002001400000000, -0.0009101000000000 ] - [ 0.0003151500000000, 0.0002208500000000, -0.0007192700000000 ]- atom: 65 displacement: [ -0.0099872533903921, 0.0000000000000000, 0.0005047471803797 ] forces: - [ -0.0046863900000000, -0.0045760100000000, -0.0032962300000000 ] - [ 0.0002153200000000, 0.0002037400000000, -0.0007603900000000 ] - [ -0.0006318900000000, -0.0000441200000000, -0.0019358100000000 ] - [ 0.0001292200000000, -0.0002172000000000, -0.0007430000000000 ] - [ -0.0003486000000000, 0.0011297900000000, 0.0009147000000000 ] - [ 0.0001388900000000, 0.0002232700000000, 0.0005402100000000 ] - [ -0.0004222200000000, -0.0001492500000000, 0.0002235600000000 ] - [ 0.0000823500000000, -0.0002392500000000, 0.0004821000000000 ] - [ -0.0045527100000000, 0.0040124700000000, -0.0022380500000000 ] - [ 0.0008419100000000, -0.0005924300000000, 0.0003293400000000 ] - [ 0.0000011800000000, 0.0003845000000000, -0.0008221600000000 ] - [ 0.0007202300000000, 0.0006333700000000, 0.0003410600000000 ] - [ -0.0004514000000000, -0.0014044900000000, 0.0003440300000000 ] - [ 0.0000000700000000, -0.0004666500000000, -0.0001222600000000 ] - [ -0.0005201900000000, 0.0003982400000000, -0.0004087400000000 ] - [ -0.0000639000000000, 0.0004784800000000, -0.0001750600000000 ] - [ 0.0003295600000000, 0.0004707700000000, 0.0016032300000000 ] - [ 0.0006792800000000, -0.0004190000000000, 0.0005693800000000 ] - [ 0.0008648300000000, -0.0001416200000000, -0.0000027200000000 ] - [ 0.0006489900000000, -0.0000923500000000, 0.0009584800000000 ] - [ 0.0003773000000000, 0.0002543100000000, 0.0002070800000000 ] - [ 0.0002240800000000, -0.0003774400000000, 0.0004752300000000 ] - [ -0.0005537300000000, 0.0002987000000000, 0.0007457100000000 ] - [ 0.0000235800000000, 0.0003747100000000, 0.0004878900000000 ] - [ 0.0007885800000000, 0.0001956300000000, -0.0007097000000000 ] - [ 0.0005467300000000, -0.0005009000000000, -0.0004476400000000 ] - [ 0.0001814500000000, -0.0000367600000000, 0.0000589200000000 ] - [ 0.0005208600000000, 0.0002992300000000, -0.0007265300000000 ] - [ -0.0001565800000000, 0.0004892700000000, -0.0004106700000000 ] - [ 0.0001318200000000, -0.0000736100000000, -0.0010030500000000 ] - [ 0.0003862300000000, -0.0001328600000000, -0.0009385100000000 ] - [ 0.0001589000000000, -0.0000422200000000, -0.0007430400000000 ] - [ 0.0010575200000000, -0.0015260800000000, -0.0001985200000000 ] - [ 0.0008980400000000, -0.0003305800000000, 0.0003607600000000 ] - [ -0.0000405900000000, 0.0006552900000000, -0.0001050500000000 ] - [ 0.0004822500000000, 0.0005139200000000, 0.0002039300000000 ] - [ -0.0021024100000000, -0.0002267700000000, 0.0000452400000000 ] - [ -0.0000268500000000, -0.0004161300000000, -0.0003613600000000 ] - [ -0.0009285700000000, 0.0006762600000000, -0.0007913500000000 ] - [ -0.0002339700000000, 0.0005503800000000, -0.0003043200000000 ] - [ -0.0081814300000000, -0.0057736300000000, -0.0013490100000000 ] - [ 0.0006527100000000, 0.0001286500000000, -0.0003497700000000 ] - [ -0.0002668300000000, -0.0003720000000000, -0.0007287300000000 ] - [ 0.0003280900000000, -0.0002595800000000, -0.0004307400000000 ] - [ -0.0015054400000000, -0.0000389900000000, 0.0013635900000000 ] - [ 0.0005181900000000, 0.0000655500000000, 0.0007328800000000 ] - [ -0.0003941200000000, -0.0002878800000000, 0.0003159800000000 ] - [ 0.0003537800000000, -0.0001189700000000, 0.0007856000000000 ] - [ -0.0027426400000000, 0.0007482600000000, 0.0008647600000000 ] - [ 0.0003647500000000, 0.0005858800000000, 0.0003428500000000 ] - [ -0.0007683400000000, -0.0006796300000000, -0.0002375100000000 ] - [ 0.0002292600000000, -0.0006293200000000, 0.0005852200000000 ] - [ -0.0644683200000000, -0.0013386200000000, 0.0290332800000000 ] - [ 0.0012283100000000, -0.0001314700000000, 0.0002543800000000 ] - [ 0.0000517200000000, 0.0000615900000000, -0.0002412200000000 ] - [ 0.0009652700000000, 0.0001155800000000, -0.0001288800000000 ] - [ -0.0011291000000000, -0.0000589200000000, 0.0034700300000000 ] - [ 0.0001368900000000, -0.0001112900000000, 0.0000329800000000 ] - [ 0.0000883000000000, 0.0001569600000000, -0.0001992400000000 ] - [ 0.0000445700000000, 0.0001289800000000, -0.0001469100000000 ] - [ -0.0012608900000000, 0.0006908500000000, 0.0038387200000000 ] - [ 0.0012643600000000, 0.0003962300000000, -0.0008180700000000 ] - [ 0.0009108000000000, -0.0005643900000000, -0.0033367000000000 ] - [ 0.0010328500000000, -0.0004629800000000, 0.0004500700000000 ] - [ 0.0820756900000000, 0.0082116900000000, -0.0320499100000000 ] - [ -0.0006954200000000, -0.0002064200000000, 0.0006894500000000 ] - [ 0.0009434600000000, 0.0001798200000000, 0.0010726100000000 ] - [ -0.0004628800000000, 0.0002222800000000, 0.0006578000000000 ] - [ 0.0046501000000000, -0.0059002000000000, 0.0043005800000000 ] - [ -0.0005155700000000, -0.0000374800000000, 0.0001257300000000 ] - [ 0.0007476300000000, 0.0000987600000000, 0.0005373000000000 ] - [ -0.0004540200000000, 0.0001350000000000, 0.0002511100000000 ] - [ 0.0044397100000000, 0.0065393900000000, 0.0037752700000000 ] - [ -0.0007496700000000, 0.0005225700000000, -0.0005939200000000 ] - [ 0.0006657400000000, -0.0007769000000000, -0.0003830900000000 ] - [ -0.0007638500000000, -0.0006062900000000, -0.0004442300000000 ] - [ -0.0001844400000000, -0.0019027600000000, -0.0005601600000000 ] - [ -0.0012043500000000, -0.0001281600000000, 0.0003425100000000 ] - [ 0.0002688900000000, 0.0006148200000000, -0.0008236800000000 ] - [ -0.0009784900000000, -0.0007401600000000, -0.0000647900000000 ] - [ -0.0008070500000000, 0.0006467100000000, 0.0010841800000000 ] - [ -0.0009473700000000, 0.0002481200000000, 0.0001773100000000 ] - [ -0.0005369700000000, 0.0002402300000000, 0.0005905100000000 ] - [ -0.0007274100000000, 0.0006223800000000, -0.0002782100000000 ] - [ -0.0002105800000000, -0.0001732000000000, 0.0009495300000000 ] - [ -0.0007922100000000, -0.0000727400000000, 0.0005997000000000 ] - [ 0.0000882100000000, 0.0000361000000000, 0.0005724400000000 ] - [ -0.0007369300000000, 0.0001085100000000, 0.0008886200000000 ] - [ -0.0031329500000000, -0.0001486800000000, 0.0023256400000000 ] - [ -0.0008917400000000, -0.0000941700000000, -0.0017369500000000 ] - [ 0.0000716200000000, 0.0001627000000000, -0.0013468000000000 ] - [ -0.0000220900000000, 0.0000540600000000, -0.0004577900000000 ] - [ -0.0005168400000000, 0.0004083400000000, -0.0029862400000000 ] - [ -0.0008991400000000, -0.0007248500000000, 0.0006934500000000 ] - [ 0.0000642900000000, -0.0010846200000000, -0.0026500900000000 ] - [ -0.0002041100000000, -0.0000105900000000, -0.0000235000000000 ] - [ -0.0002598400000000, -0.0005409000000000, 0.0010136000000000 ] - [ 0.0003746200000000, 0.0007008900000000, -0.0001817700000000 ] - [ 0.0001026900000000, 0.0014390800000000, 0.0004691800000000 ] - [ 0.0007056500000000, 0.0000469300000000, -0.0005662200000000 ] - [ -0.0005251900000000, 0.0034121700000000, 0.0006249200000000 ] - [ -0.0002623400000000, 0.0005592300000000, 0.0003232200000000 ] - [ 0.0007079900000000, -0.0004351800000000, 0.0007506300000000 ] - [ -0.0001973500000000, -0.0004911900000000, 0.0005109600000000 ] - [ -0.0005998700000000, -0.0034109000000000, -0.0004341900000000 ] - [ -0.0004798900000000, -0.0000015900000000, -0.0004054800000000 ] - [ 0.0005910100000000, -0.0000749700000000, 0.0001105300000000 ] - [ -0.0004052000000000, -0.0000502900000000, -0.0002057000000000 ] - [ 0.0020088500000000, -0.0003022900000000, -0.0017626900000000 ] - [ -0.0008504600000000, -0.0002053800000000, -0.0005301600000000 ] - [ 0.0001452700000000, 0.0002217000000000, -0.0002568400000000 ] - [ -0.0007991300000000, 0.0002009700000000, -0.0004445900000000 ]- atom: 65 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0039578700000000, 0.0133845900000000, 0.0057821000000000 ] - [ -0.0001008300000000, 0.0001957200000000, -0.0007840500000000 ] - [ -0.0004843300000000, -0.0002802600000000, -0.0010813900000000 ] - [ -0.0001175700000000, -0.0001687700000000, -0.0007761900000000 ] - [ -0.0003699600000000, -0.0003148500000000, 0.0007192600000000 ] - [ -0.0001202000000000, 0.0002276600000000, 0.0004896700000000 ] - [ -0.0001298400000000, -0.0003668800000000, 0.0004186400000000 ] - [ -0.0001245900000000, -0.0002651700000000, 0.0004505100000000 ] - [ -0.0031919000000000, 0.0094157800000000, -0.0041166900000000 ] - [ 0.0004674700000000, -0.0005717900000000, 0.0003219700000000 ] - [ 0.0008212800000000, 0.0007262300000000, 0.0007705200000000 ] - [ 0.0004846200000000, 0.0006085800000000, 0.0003203400000000 ] - [ -0.0000388900000000, -0.0009459400000000, -0.0003579900000000 ] - [ -0.0003292200000000, -0.0005418200000000, -0.0001745700000000 ] - [ -0.0002995800000000, 0.0003682000000000, -0.0001213300000000 ] - [ -0.0002925000000000, 0.0005066700000000, -0.0001576300000000 ] - [ -0.0003587500000000, 0.0001985400000000, 0.0005551400000000 ] - [ 0.0000888800000000, 0.0000712900000000, 0.0008304500000000 ] - [ 0.0006082800000000, 0.0002267700000000, 0.0007176500000000 ] - [ -0.0001057600000000, 0.0000918000000000, 0.0007027100000000 ] - [ -0.0008676600000000, -0.0003906200000000, 0.0003352000000000 ] - [ -0.0001779800000000, -0.0003847000000000, 0.0004708500000000 ] - [ -0.0003029800000000, 0.0001933800000000, 0.0006916700000000 ] - [ -0.0003988100000000, 0.0002330000000000, 0.0005260000000000 ] - [ 0.0000619300000000, 0.0000238400000000, -0.0003391800000000 ] - [ 0.0005213600000000, -0.0001048600000000, -0.0004916700000000 ] - [ 0.0003095500000000, 0.0002438300000000, -0.0002530600000000 ] - [ 0.0003017900000000, 0.0002756800000000, -0.0005030300000000 ] - [ -0.0000724000000000, -0.0001807300000000, -0.0009488900000000 ] - [ -0.0000294400000000, -0.0000006300000000, -0.0007916700000000 ] - [ 0.0001643600000000, -0.0000542600000000, -0.0009873100000000 ] - [ -0.0002773900000000, -0.0000985100000000, -0.0010259500000000 ] - [ -0.0000859300000000, 0.0017996300000000, -0.0007360400000000 ] - [ 0.0002736200000000, -0.0004692500000000, 0.0001662800000000 ] - [ 0.0003093900000000, 0.0005132200000000, 0.0001792900000000 ] - [ 0.0002961400000000, 0.0005198100000000, 0.0001813900000000 ] - [ -0.0004708700000000, -0.0010661200000000, 0.0001954100000000 ] - [ -0.0004764600000000, -0.0006126400000000, -0.0003097400000000 ] - [ -0.0003960100000000, 0.0006060300000000, -0.0000243000000000 ] - [ -0.0004643800000000, 0.0005858900000000, -0.0003114400000000 ] - [ 0.0072746300000000, 0.0075019100000000, 0.0013773600000000 ] - [ 0.0001286300000000, 0.0002734100000000, -0.0004583000000000 ] - [ 0.0001513600000000, -0.0002298300000000, -0.0004955700000000 ] - [ 0.0001193100000000, -0.0002359500000000, -0.0004939900000000 ] - [ 0.0000585500000000, -0.0004542900000000, 0.0000327700000000 ] - [ 0.0000995200000000, 0.0001533000000000, 0.0007661000000000 ] - [ 0.0000957900000000, -0.0001567800000000, 0.0005881400000000 ] - [ 0.0000819000000000, -0.0001782300000000, 0.0007705900000000 ] - [ -0.0002303900000000, -0.0014188900000000, 0.0003002800000000 ] - [ -0.0003286800000000, 0.0004352600000000, 0.0003689500000000 ] - [ -0.0003255100000000, -0.0013080700000000, 0.0004341000000000 ] - [ -0.0003140600000000, -0.0007159100000000, 0.0003533900000000 ] - [ 0.0009950500000000, 0.0090854800000000, -0.0001102100000000 ] - [ 0.0002742100000000, 0.0000207600000000, -0.0000008600000000 ] - [ 0.0003411500000000, 0.0011727900000000, -0.0000780900000000 ] - [ 0.0002357000000000, 0.0001467300000000, -0.0000211900000000 ] - [ -0.0003058800000000, -0.0028209400000000, -0.0002633600000000 ] - [ -0.0002606500000000, -0.0002608000000000, 0.0000097300000000 ] - [ -0.0002560300000000, 0.0000066800000000, 0.0000007300000000 ] - [ -0.0002777100000000, 0.0000580400000000, -0.0000096300000000 ] - [ 0.0001258500000000, 0.0027863900000000, -0.0006428400000000 ] - [ 0.0003065400000000, 0.0007156500000000, -0.0003577300000000 ] - [ 0.0004502300000000, -0.0002702200000000, -0.0003987500000000 ] - [ 0.0003104400000000, -0.0004415200000000, -0.0003516900000000 ] - [ -0.0079876500000000, -0.0500935800000000, -0.0006690000000000 ] - [ 0.0002350100000000, -0.0002410500000000, 0.0005827200000000 ] - [ 0.0002121000000000, 0.0000055100000000, 0.0006376900000000 ] - [ 0.0002516400000000, 0.0001908900000000, 0.0005823900000000 ] - [ 0.0039843000000000, 0.0000442700000000, -0.0029422500000000 ] - [ 0.0000249300000000, -0.0001448100000000, 0.0003131300000000 ] - [ -0.0000782800000000, -0.0001732700000000, -0.0004782800000000 ] - [ 0.0001003200000000, 0.0001171900000000, 0.0003074300000000 ] - [ -0.0037949000000000, -0.0001972700000000, 0.0018254700000000 ] - [ -0.0000484800000000, 0.0005818600000000, -0.0004646900000000 ] - [ 0.0000569200000000, -0.0009397900000000, 0.0007111200000000 ] - [ -0.0001255700000000, -0.0006449300000000, -0.0004105400000000 ] - [ 0.0000179900000000, 0.0017343600000000, 0.0013363300000000 ] - [ -0.0008199100000000, -0.0002898700000000, 0.0003567900000000 ] - [ -0.0008365200000000, 0.0013284500000000, -0.0008757900000000 ] - [ -0.0002735400000000, -0.0004062000000000, -0.0001259600000000 ] - [ -0.0008287000000000, 0.0008833800000000, 0.0007398800000000 ] - [ -0.0006187400000000, 0.0004200200000000, 0.0004076300000000 ] - [ -0.0002403600000000, 0.0009232400000000, -0.0004914700000000 ] - [ -0.0005136200000000, 0.0005534700000000, -0.0001605600000000 ] - [ -0.0002287900000000, 0.0002692300000000, 0.0007942700000000 ] - [ -0.0002504400000000, 0.0000252700000000, 0.0008282700000000 ] - [ -0.0002800300000000, 0.0004079500000000, 0.0008212300000000 ] - [ -0.0002899400000000, 0.0001176200000000, 0.0008188400000000 ] - [ 0.0002235300000000, -0.0004117000000000, -0.0008393200000000 ] - [ 0.0002756300000000, -0.0001880600000000, -0.0008085100000000 ] - [ 0.0003649400000000, -0.0000732300000000, -0.0007586500000000 ] - [ 0.0002621100000000, 0.0000290200000000, -0.0007918200000000 ] - [ -0.0007507900000000, -0.0004074300000000, -0.0014260800000000 ] - [ 0.0005419900000000, -0.0005461600000000, 0.0000940200000000 ] - [ 0.0016422600000000, -0.0004205000000000, 0.0009591400000000 ] - [ 0.0006113300000000, -0.0003918900000000, -0.0003490100000000 ] - [ 0.0003752200000000, 0.0002404600000000, 0.0000319200000000 ] - [ 0.0003437600000000, 0.0004138300000000, 0.0000545000000000 ] - [ 0.0007217100000000, 0.0001926700000000, -0.0003273200000000 ] - [ 0.0008230000000000, 0.0002658900000000, -0.0003084500000000 ] - [ -0.0017648400000000, 0.0040862700000000, 0.0011762100000000 ] - [ 0.0002438000000000, 0.0006410200000000, 0.0004114200000000 ] - [ 0.0000932500000000, -0.0005798000000000, 0.0004525900000000 ] - [ 0.0001290500000000, -0.0005987900000000, 0.0004411200000000 ] - [ 0.0021509400000000, 0.0040442000000000, -0.0011475100000000 ] - [ -0.0001347900000000, -0.0000939900000000, -0.0002739700000000 ] - [ -0.0000465400000000, 0.0001378900000000, -0.0002769800000000 ] - [ -0.0000565200000000, 0.0001267500000000, -0.0002873100000000 ] - [ -0.0003311000000000, 0.0005563600000000, -0.0005970900000000 ] - [ -0.0002361500000000, -0.0001769200000000, -0.0005876400000000 ] - [ -0.0002505200000000, 0.0003866000000000, -0.0005590600000000 ] - [ -0.0002312600000000, 0.0002322100000000, -0.0005797900000000 ]- atom: 65 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0039855500000000, -0.0125728300000000, -0.0069584100000000 ] - [ -0.0000993500000000, 0.0001532100000000, -0.0007639000000000 ] - [ 0.0002830800000000, -0.0000658300000000, -0.0004698100000000 ] - [ -0.0000829400000000, -0.0001783800000000, -0.0007713000000000 ] - [ 0.0001146000000000, 0.0008214500000000, 0.0002342200000000 ] - [ -0.0001318400000000, 0.0002793500000000, 0.0004575500000000 ] - [ -0.0001223500000000, -0.0001400900000000, 0.0005256600000000 ] - [ -0.0001265300000000, -0.0002420500000000, 0.0004949500000000 ] - [ 0.0043157900000000, -0.0109531300000000, 0.0050447100000000 ] - [ 0.0004810100000000, -0.0006186000000000, 0.0003087000000000 ] - [ 0.0001251800000000, 0.0004650800000000, -0.0001439200000000 ] - [ 0.0004627300000000, 0.0005829700000000, 0.0003106200000000 ] - [ -0.0005464200000000, -0.0000741200000000, 0.0000205500000000 ] - [ -0.0002531000000000, -0.0004770300000000, -0.0001690800000000 ] - [ -0.0002831600000000, 0.0006487300000000, -0.0002245200000000 ] - [ -0.0002891200000000, 0.0005107000000000, -0.0001875400000000 ] - [ 0.0005139900000000, -0.0000915700000000, 0.0011048000000000 ] - [ 0.0000726300000000, 0.0000311800000000, 0.0008282200000000 ] - [ -0.0004479000000000, -0.0003300200000000, 0.0009376600000000 ] - [ 0.0002626700000000, -0.0001949000000000, 0.0009581700000000 ] - [ 0.0001119700000000, -0.0000840400000000, 0.0006668000000000 ] - [ -0.0005821100000000, -0.0000914200000000, 0.0005330600000000 ] - [ -0.0004575500000000, 0.0002818200000000, 0.0003115700000000 ] - [ -0.0003576500000000, 0.0002439400000000, 0.0004792100000000 ] - [ 0.0006968300000000, -0.0004970600000000, -0.0006641600000000 ] - [ 0.0002368200000000, -0.0003739100000000, -0.0005127100000000 ] - [ 0.0004494300000000, 0.0002329700000000, -0.0007511900000000 ] - [ 0.0004575900000000, 0.0002009100000000, -0.0005025200000000 ] - [ -0.0000854300000000, 0.0002828900000000, -0.0007113800000000 ] - [ -0.0001279700000000, 0.0001030400000000, -0.0008694400000000 ] - [ -0.0003215300000000, -0.0000482700000000, -0.0006718000000000 ] - [ 0.0001171600000000, -0.0000046900000000, -0.0006356500000000 ] - [ 0.0005913800000000, -0.0027940400000000, 0.0010811400000000 ] - [ 0.0003110900000000, -0.0005470000000000, 0.0001797200000000 ] - [ 0.0002733200000000, 0.0005049200000000, 0.0001618300000000 ] - [ 0.0002867100000000, 0.0004989700000000, 0.0001629100000000 ] - [ -0.0004809100000000, -0.0001226900000000, -0.0008223300000000 ] - [ -0.0004688100000000, -0.0005774900000000, -0.0003210700000000 ] - [ -0.0005526100000000, 0.0005860000000000, -0.0006060700000000 ] - [ -0.0004831400000000, 0.0006037200000000, -0.0003193700000000 ] - [ -0.0072685500000000, -0.0070701300000000, -0.0023418600000000 ] - [ 0.0001251200000000, 0.0002323500000000, -0.0004864100000000 ] - [ 0.0001009400000000, -0.0002761900000000, -0.0004531900000000 ] - [ 0.0001332700000000, -0.0002708800000000, -0.0004527200000000 ] - [ 0.0001382200000000, 0.0008010900000000, 0.0015212100000000 ] - [ 0.0001029500000000, 0.0001932000000000, 0.0007808500000000 ] - [ 0.0001040100000000, -0.0001934100000000, 0.0009591300000000 ] - [ 0.0001194900000000, -0.0001698300000000, 0.0007767300000000 ] - [ -0.0003901200000000, 0.0025882600000000, 0.0004206500000000 ] - [ -0.0002952000000000, 0.0007362800000000, 0.0003563900000000 ] - [ -0.0003015700000000, 0.0001353900000000, 0.0002886200000000 ] - [ -0.0003120600000000, -0.0004555600000000, 0.0003720700000000 ] - [ -0.0007496200000000, -0.0093137900000000, 0.0002833800000000 ] - [ 0.0002461000000000, -0.0002465000000000, -0.0000018700000000 ] - [ 0.0001729900000000, -0.0009452300000000, 0.0000690800000000 ] - [ 0.0002813000000000, 0.0000790500000000, 0.0000131500000000 ] - [ -0.0002126300000000, 0.0025934900000000, 0.0002713000000000 ] - [ -0.0002557000000000, 0.0000348600000000, -0.0000023000000000 ] - [ -0.0002592000000000, 0.0002194000000000, 0.0000019400000000 ] - [ -0.0002387300000000, 0.0001676500000000, 0.0000136200000000 ] - [ 0.0004847000000000, -0.0016166300000000, -0.0000955200000000 ] - [ 0.0003232800000000, 0.0004546900000000, -0.0003698100000000 ] - [ 0.0001879000000000, -0.0009010900000000, -0.0003429200000000 ] - [ 0.0003174300000000, -0.0007291800000000, -0.0003699500000000 ] - [ 0.0087181600000000, 0.0496137000000000, 0.0010192700000000 ] - [ 0.0002435900000000, -0.0001807200000000, 0.0005826200000000 ] - [ 0.0002696300000000, 0.0004159300000000, 0.0005316700000000 ] - [ 0.0002285800000000, 0.0002307800000000, 0.0005835200000000 ] - [ -0.0037942500000000, -0.0003055200000000, 0.0035007400000000 ] - [ 0.0001351200000000, -0.0000911900000000, 0.0002747500000000 ] - [ 0.0002420700000000, 0.0004101800000000, 0.0010675700000000 ] - [ 0.0000607200000000, 0.0001209200000000, 0.0002827400000000 ] - [ 0.0035467500000000, 0.0014599700000000, -0.0027137000000000 ] - [ -0.0002247200000000, 0.0006542900000000, -0.0004050100000000 ] - [ -0.0003257500000000, -0.0002984700000000, -0.0015763900000000 ] - [ -0.0001476500000000, -0.0005933500000000, -0.0004561000000000 ] - [ -0.0014314400000000, -0.0023987500000000, -0.0006444500000000 ] - [ -0.0006009200000000, -0.0003831600000000, 0.0003277400000000 ] - [ 0.0000010800000000, -0.0022663900000000, 0.0006965400000000 ] - [ -0.0005668700000000, -0.0005289000000000, -0.0000582700000000 ] - [ -0.0005905000000000, -0.0002098400000000, -0.0000518500000000 ] - [ -0.0008006800000000, 0.0002531700000000, 0.0002774200000000 ] - [ -0.0005980000000000, 0.0000111400000000, 0.0003098200000000 ] - [ -0.0003250200000000, 0.0003808200000000, -0.0000233100000000 ] - [ -0.0003298200000000, -0.0004436900000000, 0.0008306100000000 ] - [ -0.0003074400000000, -0.0001990300000000, 0.0007958200000000 ] - [ -0.0002777900000000, -0.0002341900000000, 0.0008080500000000 ] - [ -0.0002708000000000, 0.0000562000000000, 0.0008063700000000 ] - [ 0.0003166700000000, 0.0002382100000000, -0.0007777300000000 ] - [ 0.0002783900000000, 0.0000140400000000, -0.0008233200000000 ] - [ 0.0001994300000000, 0.0002465600000000, -0.0008591700000000 ] - [ 0.0002959000000000, 0.0001445900000000, -0.0008307200000000 ] - [ 0.0015843900000000, -0.0005279400000000, 0.0016042700000000 ] - [ 0.0002910600000000, -0.0003896600000000, 0.0000926300000000 ] - [ -0.0002278900000000, -0.0002506700000000, -0.0016473300000000 ] - [ 0.0008046700000000, -0.0002795600000000, -0.0003346000000000 ] - [ 0.0004567500000000, 0.0006854100000000, 0.0001567900000000 ] - [ 0.0004956900000000, 0.0005218800000000, 0.0001285200000000 ] - [ 0.0006924800000000, 0.0004889300000000, -0.0003532000000000 ] - [ 0.0005979200000000, 0.0004053200000000, -0.0003766000000000 ] - [ 0.0020293300000000, -0.0028419300000000, -0.0002970200000000 ] - [ 0.0000276200000000, 0.0005953800000000, 0.0004562600000000 ] - [ 0.0001792800000000, -0.0006558800000000, 0.0004184800000000 ] - [ 0.0001419300000000, -0.0006372900000000, 0.0004282800000000 ] - [ -0.0023263400000000, -0.0042960100000000, 0.0005763700000000 ] - [ -0.0000280500000000, -0.0001422100000000, -0.0003154300000000 ] - [ -0.0001143200000000, 0.0000970600000000, -0.0003088300000000 ] - [ -0.0001062000000000, 0.0001090000000000, -0.0003006000000000 ] - [ -0.0001463600000000, -0.0009786200000000, -0.0005727000000000 ] - [ -0.0002462300000000, -0.0002449400000000, -0.0005786300000000 ] - [ -0.0002311000000000, 0.0000350700000000, -0.0006044800000000 ] - [ -0.0002514200000000, 0.0001893500000000, -0.0005848400000000 ]- atom: 65 displacement: [ -0.0007714822112317, 0.0000000000000000, 0.0099701963470011 ] forces: - [ 0.0014203200000000, 0.0061213200000000, 0.0041358500000000 ] - [ 0.0000310600000000, 0.0002105200000000, -0.0007931200000000 ] - [ -0.0006471000000000, -0.0001295500000000, -0.0019056600000000 ] - [ -0.0000887300000000, -0.0001820200000000, -0.0007672100000000 ] - [ -0.0001029800000000, 0.0009997000000000, 0.0013545200000000 ] - [ -0.0001042000000000, 0.0002602800000000, 0.0006267900000000 ] - [ -0.0003722100000000, 0.0000886300000000, -0.0000135900000000 ] - [ -0.0000163600000000, -0.0002678000000000, 0.0003544600000000 ] - [ 0.0021399600000000, -0.0049889700000000, 0.0050648500000000 ] - [ 0.0006558600000000, -0.0006006600000000, 0.0002974700000000 ] - [ 0.0000332700000000, 0.0003291700000000, -0.0009343600000000 ] - [ 0.0004636400000000, 0.0006127000000000, 0.0003214500000000 ] - [ -0.0002692900000000, -0.0012498000000000, 0.0006977000000000 ] - [ -0.0002917600000000, -0.0005296100000000, -0.0000055600000000 ] - [ -0.0005419400000000, 0.0000370600000000, -0.0006697800000000 ] - [ -0.0001517300000000, 0.0005104700000000, -0.0003075000000000 ] - [ -0.0011760200000000, -0.0003897800000000, 0.0005519500000000 ] - [ 0.0005091700000000, -0.0002719700000000, 0.0006565100000000 ] - [ 0.0010517400000000, 0.0002672700000000, 0.0002980000000000 ] - [ -0.0001596300000000, -0.0000853800000000, 0.0008073400000000 ] - [ 0.0006940100000000, -0.0000122900000000, 0.0004769200000000 ] - [ -0.0006368000000000, -0.0001060800000000, 0.0004831800000000 ] - [ -0.0007659900000000, 0.0004324300000000, 0.0004874300000000 ] - [ -0.0000578300000000, 0.0003329600000000, 0.0005029900000000 ] - [ 0.0006323200000000, 0.0000261800000000, -0.0005255700000000 ] - [ 0.0002259900000000, -0.0003353400000000, -0.0005183100000000 ] - [ 0.0004261700000000, 0.0003751800000000, -0.0006498400000000 ] - [ 0.0005336700000000, 0.0002222400000000, -0.0006009600000000 ] - [ -0.0000959500000000, -0.0001626000000000, -0.0009314300000000 ] - [ 0.0001380100000000, -0.0000006400000000, -0.0009159300000000 ] - [ 0.0002561500000000, -0.0001283200000000, -0.0008996500000000 ] - [ -0.0002238300000000, -0.0000178100000000, -0.0008991200000000 ] - [ 0.0022081000000000, -0.0022520300000000, 0.0022055300000000 ] - [ 0.0004085500000000, -0.0005069500000000, 0.0004024200000000 ] - [ 0.0004171600000000, 0.0004379800000000, -0.0003391500000000 ] - [ 0.0003398100000000, 0.0004995100000000, 0.0000622600000000 ] - [ -0.0011216200000000, 0.0001850200000000, -0.0004638000000000 ] - [ -0.0002929000000000, -0.0004832600000000, -0.0003356600000000 ] - [ -0.0004559000000000, 0.0008338500000000, -0.0005254100000000 ] - [ -0.0004818500000000, 0.0006105000000000, -0.0003196100000000 ] - [ 0.0015545500000000, 0.0021622700000000, 0.0013723500000000 ] - [ 0.0002250900000000, 0.0002795500000000, -0.0002622000000000 ] - [ 0.0002456500000000, -0.0002261800000000, -0.0009614100000000 ] - [ 0.0001727800000000, -0.0002296700000000, -0.0005794900000000 ] - [ -0.0005444800000000, -0.0007073700000000, 0.0006300200000000 ] - [ 0.0002530000000000, 0.0000853500000000, 0.0007627000000000 ] - [ 0.0001963600000000, -0.0004985300000000, 0.0005252200000000 ] - [ 0.0001049300000000, -0.0001918800000000, 0.0007696400000000 ] - [ -0.0008388800000000, 0.0005134500000000, 0.0001229400000000 ] - [ -0.0000158600000000, 0.0005877400000000, 0.0003186500000000 ] - [ -0.0005116700000000, -0.0005702200000000, -0.0001548700000000 ] - [ -0.0003686600000000, -0.0005886300000000, 0.0004350100000000 ] - [ -0.0346498200000000, -0.0000472100000000, 0.0277447400000000 ] - [ 0.0005630900000000, -0.0001208000000000, 0.0005727200000000 ] - [ 0.0001764900000000, 0.0006306100000000, -0.0020188400000000 ] - [ 0.0002973200000000, 0.0001223800000000, -0.0003971900000000 ] - [ -0.0008543900000000, -0.0001671800000000, 0.0029826200000000 ] - [ -0.0001762600000000, -0.0001270900000000, 0.0003005400000000 ] - [ -0.0000472300000000, 0.0001833000000000, -0.0007963800000000 ] - [ -0.0001941000000000, 0.0001076500000000, -0.0002748500000000 ] - [ -0.0027014000000000, 0.0005863900000000, -0.0025322500000000 ] - [ 0.0006311100000000, 0.0005281300000000, -0.0005789100000000 ] - [ 0.0021883000000000, -0.0005142000000000, -0.0023333800000000 ] - [ 0.0002556200000000, -0.0004946700000000, -0.0001849500000000 ] - [ 0.0367310600000000, -0.0004476700000000, -0.0505406400000000 ] - [ 0.0000535100000000, -0.0002103400000000, 0.0004082500000000 ] - [ -0.0001387000000000, 0.0001558100000000, 0.0017244400000000 ] - [ 0.0001163500000000, 0.0002122400000000, 0.0006817800000000 ] - [ -0.0021462400000000, -0.0049977200000000, 0.0052161600000000 ] - [ -0.0000335600000000, 0.0000061700000000, 0.0000864700000000 ] - [ 0.0004313000000000, -0.0005301400000000, 0.0018128700000000 ] - [ -0.0000107400000000, 0.0003122400000000, 0.0005236900000000 ] - [ -0.0018130900000000, 0.0041323100000000, 0.0038047100000000 ] - [ -0.0002070500000000, 0.0005040500000000, -0.0006606700000000 ] - [ 0.0004163700000000, -0.0000138600000000, 0.0023695200000000 ] - [ -0.0003113800000000, -0.0007939800000000, -0.0001804800000000 ] - [ -0.0001945000000000, -0.0000181200000000, -0.0000723900000000 ] - [ -0.0010124700000000, -0.0002560500000000, 0.0002758200000000 ] - [ 0.0000814800000000, -0.0006154600000000, -0.0005630800000000 ] - [ -0.0007356600000000, -0.0005985100000000, -0.0001535400000000 ] - [ -0.0009816700000000, 0.0007128300000000, 0.0015022600000000 ] - [ -0.0005990800000000, 0.0004104800000000, 0.0004442900000000 ] - [ -0.0007701100000000, 0.0002606300000000, 0.0010417100000000 ] - [ -0.0003209700000000, 0.0003872600000000, 0.0000160700000000 ] - [ -0.0005030500000000, -0.0002254700000000, 0.0008414000000000 ] - [ -0.0002625600000000, -0.0000884500000000, 0.0006076200000000 ] - [ 0.0000417700000000, 0.0000819200000000, 0.0010285600000000 ] - [ -0.0005914100000000, 0.0001066800000000, 0.0009138700000000 ] - [ -0.0026103600000000, -0.0001419200000000, 0.0006182200000000 ] - [ 0.0002937000000000, -0.0001293800000000, -0.0018210200000000 ] - [ 0.0011699900000000, 0.0000246500000000, 0.0002447500000000 ] - [ 0.0001467500000000, 0.0000464800000000, -0.0004774800000000 ] - [ 0.0018856100000000, -0.0012693100000000, 0.0002751000000000 ] - [ -0.0001865500000000, -0.0005280300000000, 0.0002334400000000 ] - [ 0.0018363500000000, 0.0004009100000000, -0.0002336100000000 ] - [ 0.0002225500000000, -0.0002686600000000, -0.0003062200000000 ] - [ -0.0004189700000000, -0.0003806900000000, 0.0008512100000000 ] - [ 0.0006437900000000, 0.0005507900000000, 0.0001159400000000 ] - [ -0.0000881400000000, 0.0012382000000000, 0.0003451000000000 ] - [ 0.0010027400000000, 0.0002241600000000, -0.0003000000000000 ] - [ -0.0008384100000000, 0.0027382700000000, -0.0002091500000000 ] - [ 0.0000844300000000, 0.0006451400000000, 0.0002980600000000 ] - [ 0.0003607500000000, -0.0003298000000000, 0.0009438600000000 ] - [ 0.0000509600000000, -0.0005174200000000, 0.0005687100000000 ] - [ -0.0009632100000000, -0.0024587100000000, -0.0013458200000000 ] - [ -0.0001492000000000, -0.0001272900000000, -0.0004092900000000 ] - [ 0.0001760900000000, -0.0002397700000000, 0.0002864200000000 ] - [ -0.0001497600000000, 0.0000055600000000, -0.0001608400000000 ] - [ 0.0010674100000000, -0.0002060400000000, -0.0014994500000000 ] - [ -0.0003463100000000, -0.0002058400000000, -0.0007023600000000 ] - [ -0.0005075900000000, 0.0002340500000000, 0.0000488800000000 ] - [ -0.0004140800000000, 0.0002125500000000, -0.0004220000000000 ]- atom: 65 displacement: [ 0.0007714822112317, 0.0000000000000000, -0.0099701963470011 ] forces: - [ -0.0015704800000000, -0.0055862900000000, -0.0056384000000000 ] - [ -0.0002316300000000, 0.0001379200000000, -0.0007545100000000 ] - [ 0.0004501500000000, -0.0002184100000000, 0.0003611300000000 ] - [ -0.0001122400000000, -0.0001649200000000, -0.0007807200000000 ] - [ -0.0001470900000000, -0.0004927000000000, -0.0004132500000000 ] - [ -0.0001480500000000, 0.0002461300000000, 0.0003192900000000 ] - [ 0.0001204900000000, -0.0005936100000000, 0.0009609300000000 ] - [ -0.0002354100000000, -0.0002386000000000, 0.0005917500000000 ] - [ -0.0011308100000000, 0.0036304600000000, -0.0043806000000000 ] - [ 0.0002915800000000, -0.0005895400000000, 0.0003334200000000 ] - [ 0.0009153900000000, 0.0008643000000000, 0.0015664600000000 ] - [ 0.0004821100000000, 0.0005794600000000, 0.0003090600000000 ] - [ -0.0003125000000000, 0.0002312800000000, -0.0010463200000000 ] - [ -0.0002914300000000, -0.0004892800000000, -0.0003386800000000 ] - [ -0.0000409400000000, 0.0009787100000000, 0.0003265800000000 ] - [ -0.0004308600000000, 0.0005066900000000, -0.0000368100000000 ] - [ 0.0013322800000000, 0.0004921600000000, 0.0011102100000000 ] - [ -0.0003515400000000, 0.0003758000000000, 0.0010029600000000 ] - [ -0.0008954300000000, -0.0003732200000000, 0.0013624400000000 ] - [ 0.0003177200000000, -0.0000210400000000, 0.0008504400000000 ] - [ -0.0014549700000000, -0.0004622400000000, 0.0005252900000000 ] - [ -0.0001244000000000, -0.0003692100000000, 0.0005209400000000 ] - [ 0.0000054300000000, 0.0000468900000000, 0.0005181500000000 ] - [ -0.0007014600000000, 0.0001436400000000, 0.0005012900000000 ] - [ 0.0001253500000000, -0.0005005900000000, -0.0004781100000000 ] - [ 0.0005344700000000, -0.0001407600000000, -0.0004857700000000 ] - [ 0.0003337200000000, 0.0000979400000000, -0.0003593800000000 ] - [ 0.0002252400000000, 0.0002545100000000, -0.0004039500000000 ] - [ -0.0000626400000000, 0.0002665000000000, -0.0007304300000000 ] - [ -0.0002973200000000, 0.0001042500000000, -0.0007443100000000 ] - [ -0.0004158000000000, 0.0000239400000000, -0.0007597500000000 ] - [ 0.0000667400000000, -0.0000869500000000, -0.0007600700000000 ] - [ -0.0016313100000000, 0.0012378600000000, -0.0018324600000000 ] - [ 0.0001742900000000, -0.0005102100000000, -0.0000588200000000 ] - [ 0.0001647400000000, 0.0005819200000000, 0.0006832800000000 ] - [ 0.0002425400000000, 0.0005195800000000, 0.0002824700000000 ] - [ 0.0001755400000000, -0.0013726200000000, -0.0001699000000000 ] - [ -0.0006544900000000, -0.0007079200000000, -0.0002950700000000 ] - [ -0.0004891700000000, 0.0003587800000000, -0.0001028900000000 ] - [ -0.0004641100000000, 0.0005806400000000, -0.0003108400000000 ] - [ -0.0012552500000000, -0.0016235800000000, -0.0022809700000000 ] - [ 0.0000266700000000, 0.0002264900000000, -0.0006827200000000 ] - [ 0.0000057500000000, -0.0002809300000000, 0.0000146900000000 ] - [ 0.0000789500000000, -0.0002770700000000, -0.0003664600000000 ] - [ 0.0007464800000000, 0.0010531500000000, 0.0009153900000000 ] - [ -0.0000534700000000, 0.0002620900000000, 0.0007858000000000 ] - [ 0.0000059300000000, 0.0001483500000000, 0.0010242400000000 ] - [ 0.0000960500000000, -0.0001565800000000, 0.0007781900000000 ] - [ 0.0002111400000000, 0.0006585500000000, 0.0006068900000000 ] - [ -0.0006084400000000, 0.0005836600000000, 0.0004069300000000 ] - [ -0.0001129000000000, -0.0006020700000000, 0.0008836000000000 ] - [ -0.0002567400000000, -0.0005824300000000, 0.0002891600000000 ] - [ 0.0364177500000000, -0.0001789400000000, -0.0283187400000000 ] - [ -0.0000483700000000, -0.0001050000000000, -0.0005763300000000 ] - [ 0.0003373500000000, -0.0004025800000000, 0.0020111500000000 ] - [ 0.0002198500000000, 0.0001031300000000, 0.0003925000000000 ] - [ 0.0003356400000000, -0.0000594100000000, -0.0029780700000000 ] - [ -0.0003385300000000, -0.0000983900000000, -0.0002962000000000 ] - [ -0.0004664300000000, 0.0000419600000000, 0.0008021100000000 ] - [ -0.0003212500000000, 0.0001181600000000, 0.0002810500000000 ] - [ 0.0033482700000000, 0.0005824100000000, 0.0017876800000000 ] - [ -0.0000072000000000, 0.0006432200000000, -0.0001463400000000 ] - [ -0.0015452500000000, -0.0006564700000000, 0.0015948700000000 ] - [ 0.0003705400000000, -0.0006764400000000, -0.0005374800000000 ] - [ -0.0377535600000000, -0.0000543100000000, 0.0522614300000000 ] - [ 0.0004307100000000, -0.0002113600000000, 0.0007545900000000 ] - [ 0.0006226000000000, 0.0002658200000000, -0.0005616800000000 ] - [ 0.0003670700000000, 0.0002094600000000, 0.0004817600000000 ] - [ 0.0023624400000000, 0.0048126000000000, -0.0046796800000000 ] - [ 0.0001962400000000, -0.0002431000000000, 0.0005046100000000 ] - [ -0.0002682900000000, 0.0007599500000000, -0.0012183200000000 ] - [ 0.0001721500000000, -0.0000761000000000, 0.0000667300000000 ] - [ 0.0015890200000000, -0.0029276600000000, -0.0047155100000000 ] - [ -0.0000636000000000, 0.0007333100000000, -0.0002056700000000 ] - [ -0.0006846300000000, -0.0012147100000000, -0.0032231900000000 ] - [ 0.0000391300000000, -0.0004427100000000, -0.0006868600000000 ] - [ -0.0012301400000000, -0.0006594700000000, 0.0007530300000000 ] - [ -0.0004076000000000, -0.0004157600000000, 0.0004091600000000 ] - [ -0.0009228900000000, -0.0003154700000000, 0.0003752600000000 ] - [ -0.0001035100000000, -0.0003378100000000, -0.0000314300000000 ] - [ -0.0004357300000000, -0.0000437200000000, -0.0008226100000000 ] - [ -0.0008216100000000, 0.0002607400000000, 0.0002409100000000 ] - [ -0.0000670200000000, 0.0006760100000000, -0.0012297600000000 ] - [ -0.0005185500000000, 0.0005485700000000, -0.0002000500000000 ] - [ -0.0000547200000000, 0.0000528500000000, 0.0007851600000000 ] - [ -0.0002956300000000, -0.0000843200000000, 0.0010177500000000 ] - [ -0.0006018900000000, 0.0000910500000000, 0.0005930600000000 ] - [ 0.0000317600000000, 0.0000666700000000, 0.0007112900000000 ] - [ 0.0031440100000000, -0.0000317300000000, -0.0022454600000000 ] - [ 0.0002626600000000, -0.0000436100000000, 0.0001898800000000 ] - [ -0.0006247800000000, 0.0001498700000000, -0.0018810500000000 ] - [ 0.0004139900000000, 0.0001268300000000, -0.0011477400000000 ] - [ -0.0010473800000000, 0.0003354200000000, -0.0000784200000000 ] - [ 0.0010277200000000, -0.0004076700000000, -0.0000481000000000 ] - [ -0.0004167600000000, -0.0010733300000000, -0.0004447200000000 ] - [ 0.0011994800000000, -0.0004031000000000, -0.0003782400000000 ] - [ 0.0012552700000000, 0.0013080300000000, -0.0006656500000000 ] - [ 0.0001963500000000, 0.0003854500000000, 0.0000680200000000 ] - [ 0.0015050400000000, -0.0005581400000000, -0.0010288800000000 ] - [ 0.0004184200000000, 0.0004470600000000, -0.0003853800000000 ] - [ 0.0011147400000000, -0.0015024600000000, 0.0010647300000000 ] - [ 0.0001862600000000, 0.0005923300000000, 0.0005686000000000 ] - [ -0.0000906200000000, -0.0009057500000000, -0.0000750600000000 ] - [ 0.0002206700000000, -0.0007202300000000, 0.0002975000000000 ] - [ 0.0008070400000000, 0.0022269100000000, 0.0007412600000000 ] - [ -0.0000138700000000, -0.0001094400000000, -0.0001818200000000 ] - [ -0.0003402500000000, 0.0004748500000000, -0.0008765700000000 ] - [ -0.0000125800000000, 0.0002315400000000, -0.0004305900000000 ] - [ -0.0015516400000000, -0.0002164400000000, 0.0003372600000000 ] - [ -0.0001379000000000, -0.0002159400000000, -0.0004609400000000 ] - [ 0.0000217800000000, 0.0001874200000000, -0.0012131700000000 ] - [ -0.0000696200000000, 0.0002091000000000, -0.0007414800000000 ]- atom: 69 displacement: [ 0.0099872533903921, 0.0000000000000000, -0.0005047471803797 ] forces: - [ 0.0001335000000000, 0.0001181900000000, -0.0004571000000000 ] - [ -0.0002339700000000, 0.0001340200000000, -0.0008081400000000 ] - [ 0.0003184000000000, -0.0001844100000000, -0.0004051800000000 ] - [ -0.0002928400000000, -0.0001122200000000, -0.0007716000000000 ] - [ 0.0034848700000000, 0.0021842600000000, 0.0023154200000000 ] - [ -0.0003471100000000, 0.0002480200000000, 0.0005313600000000 ] - [ 0.0001038100000000, -0.0002663800000000, 0.0005836600000000 ] - [ -0.0002437000000000, -0.0002578500000000, 0.0003964800000000 ] - [ 0.0010635400000000, -0.0007095300000000, 0.0001709500000000 ] - [ 0.0003511800000000, -0.0005416300000000, 0.0002903000000000 ] - [ 0.0011813600000000, 0.0002822700000000, -0.0003561400000000 ] - [ 0.0002505100000000, 0.0005601700000000, 0.0003168200000000 ] - [ 0.0001867200000000, -0.0002238000000000, -0.0003668300000000 ] - [ -0.0005991300000000, -0.0005416300000000, -0.0001001500000000 ] - [ -0.0000547800000000, 0.0005228600000000, -0.0000010600000000 ] - [ -0.0004103800000000, 0.0005140100000000, -0.0002553600000000 ] - [ 0.0002471800000000, -0.0000109600000000, 0.0006546100000000 ] - [ -0.0000583400000000, 0.0000296000000000, 0.0008167100000000 ] - [ -0.0000598500000000, 0.0004983000000000, 0.0010510400000000 ] - [ -0.0004822900000000, -0.0001815600000000, 0.0006977600000000 ] - [ 0.0214765500000000, 0.0066956000000000, -0.0036048600000000 ] - [ -0.0008764500000000, 0.0000324900000000, 0.0003809300000000 ] - [ -0.0002533600000000, 0.0001935900000000, 0.0004457100000000 ] - [ -0.0004768600000000, 0.0002553900000000, 0.0004940800000000 ] - [ 0.0002504800000000, -0.0002032100000000, -0.0004746000000000 ] - [ 0.0003480100000000, -0.0000757400000000, -0.0005448600000000 ] - [ 0.0002208500000000, 0.0004677300000000, -0.0009122000000000 ] - [ 0.0000432300000000, 0.0000847600000000, 0.0000708900000000 ] - [ -0.0002182800000000, -0.0001719900000000, -0.0011772500000000 ] - [ -0.0002364900000000, 0.0000310900000000, -0.0005657400000000 ] - [ -0.0002035200000000, -0.0000407900000000, -0.0008270700000000 ] - [ -0.0001195900000000, -0.0000924500000000, -0.0008159500000000 ] - [ 0.0004467100000000, -0.0010138000000000, 0.0007906000000000 ] - [ 0.0000452800000000, -0.0005032400000000, -0.0001886200000000 ] - [ 0.0004554400000000, 0.0004032900000000, -0.0000270200000000 ] - [ 0.0001640400000000, 0.0005898100000000, 0.0002165200000000 ] - [ 0.0089246800000000, -0.0055530000000000, -0.0020725200000000 ] - [ -0.0009120900000000, -0.0008699200000000, -0.0001858600000000 ] - [ -0.0003706000000000, 0.0006273300000000, -0.0002530500000000 ] - [ -0.0005909200000000, 0.0006244200000000, -0.0003275300000000 ] - [ 0.0001918200000000, 0.0006294800000000, -0.0001197100000000 ] - [ -0.0001175800000000, 0.0003218700000000, -0.0005796100000000 ] - [ 0.0003030600000000, -0.0002415700000000, -0.0006934200000000 ] - [ -0.0000268000000000, -0.0002934500000000, -0.0004441300000000 ] - [ 0.0008311100000000, 0.0002073700000000, 0.0005250500000000 ] - [ -0.0001368500000000, 0.0002377000000000, 0.0008021100000000 ] - [ 0.0002149200000000, -0.0002111100000000, 0.0008130400000000 ] - [ -0.0000281200000000, -0.0002161000000000, 0.0007569000000000 ] - [ 0.0005872000000000, 0.0004442100000000, 0.0004867300000000 ] - [ -0.0005718400000000, 0.0005650000000000, 0.0002592800000000 ] - [ 0.0013679900000000, -0.0003354900000000, 0.0005262900000000 ] - [ -0.0007870300000000, -0.0005308100000000, 0.0001885100000000 ] - [ 0.0169022000000000, -0.0170004200000000, 0.0135132000000000 ] - [ -0.0003028700000000, -0.0000987700000000, 0.0002215000000000 ] - [ 0.0006983600000000, 0.0001815600000000, 0.0000103600000000 ] - [ -0.0003452300000000, 0.0001301800000000, -0.0002156400000000 ] - [ -0.0008849000000000, -0.0003983700000000, 0.0010205800000000 ] - [ -0.0004950200000000, -0.0002090800000000, -0.0001529500000000 ] - [ 0.0000414400000000, 0.0006803700000000, -0.0003051900000000 ] - [ -0.0003707500000000, 0.0000250800000000, 0.0001432200000000 ] - [ -0.0008588600000000, 0.0002203400000000, -0.0009036100000000 ] - [ -0.0004107100000000, 0.0016112300000000, 0.0001170700000000 ] - [ 0.0004353800000000, -0.0005572600000000, -0.0004694400000000 ] - [ 0.0002344400000000, -0.0005388700000000, -0.0007503700000000 ] - [ -0.0042897300000000, 0.0038368200000000, -0.0022675800000000 ] - [ 0.0008249300000000, -0.0002670700000000, 0.0005247200000000 ] - [ -0.0004008600000000, 0.0003319400000000, 0.0008073900000000 ] - [ 0.0007695800000000, 0.0001918600000000, 0.0005200600000000 ] - [ -0.0526727300000000, 0.0073852500000000, -0.0040658900000000 ] - [ 0.0006495600000000, -0.0000937700000000, 0.0002691100000000 ] - [ -0.0001839800000000, 0.0001315500000000, 0.0002123500000000 ] - [ 0.0003989000000000, 0.0001896900000000, 0.0004730400000000 ] - [ -0.0025145100000000, -0.0001058700000000, -0.0025429900000000 ] - [ 0.0004123200000000, 0.0005268700000000, -0.0004137100000000 ] - [ -0.0003904900000000, -0.0006483600000000, -0.0004833800000000 ] - [ 0.0001881900000000, -0.0006926300000000, -0.0002703400000000 ] - [ -0.0013619100000000, 0.0001780000000000, 0.0008320400000000 ] - [ -0.0005506500000000, -0.0003370700000000, 0.0003324700000000 ] - [ -0.0008936400000000, -0.0008579400000000, 0.0001067500000000 ] - [ -0.0002119400000000, -0.0004309900000000, -0.0001430300000000 ] - [ -0.0009852600000000, 0.0003455000000000, 0.0000404900000000 ] - [ -0.0004670800000000, 0.0003817300000000, 0.0004473600000000 ] - [ -0.0009301700000000, 0.0018271900000000, -0.0015555900000000 ] - [ -0.0000900600000000, 0.0003471900000000, 0.0000233500000000 ] - [ -0.0002222900000000, 0.0018154000000000, 0.0001075000000000 ] - [ 0.0002586000000000, 0.0000098600000000, 0.0009125000000000 ] - [ -0.0005137100000000, 0.0001521700000000, 0.0009029600000000 ] - [ -0.0000649900000000, 0.0000770000000000, 0.0009275800000000 ] - [ -0.0000231000000000, -0.0001059500000000, -0.0007203800000000 ] - [ 0.0008530100000000, -0.0000774000000000, -0.0000822700000000 ] - [ 0.0014913700000000, -0.0002098900000000, 0.0007520600000000 ] - [ 0.0005456600000000, -0.0000216000000000, -0.0012942800000000 ] - [ 0.0024889600000000, -0.0002288100000000, 0.0004162000000000 ] - [ 0.0029528600000000, -0.0008228000000000, -0.0003493500000000 ] - [ 0.0024223200000000, 0.0016454800000000, -0.0014667100000000 ] - [ 0.0009051600000000, -0.0005993500000000, -0.0003398800000000 ] - [ 0.0004438500000000, 0.0004163800000000, 0.0001396100000000 ] - [ 0.0003526500000000, 0.0003194800000000, 0.0001649700000000 ] - [ 0.0007505300000000, 0.0003503300000000, -0.0002782100000000 ] - [ 0.0006449800000000, 0.0005003100000000, -0.0002911700000000 ] - [ -0.0000645300000000, 0.0009028400000000, 0.0000007200000000 ] - [ 0.0003130300000000, 0.0006966100000000, 0.0005761500000000 ] - [ -0.0002115000000000, -0.0007072800000000, 0.0003439400000000 ] - [ 0.0003376900000000, -0.0007074800000000, 0.0003694900000000 ] - [ -0.0001820400000000, -0.0000746200000000, -0.0007578900000000 ] - [ 0.0001122000000000, -0.0001519200000000, -0.0001943400000000 ] - [ 0.0002566300000000, -0.0017481700000000, 0.0013468700000000 ] - [ 0.0001312200000000, 0.0003296200000000, -0.0004774100000000 ] - [ 0.0002418800000000, -0.0024891100000000, -0.0013791700000000 ] - [ 0.0001491700000000, -0.0001562200000000, -0.0006137900000000 ] - [ -0.0008812400000000, 0.0002435800000000, -0.0004040300000000 ] - [ 0.0000840300000000, 0.0002354300000000, -0.0006332400000000 ]- atom: 69 displacement: [ -0.0099872533903921, 0.0000000000000000, 0.0005047471803797 ] forces: - [ -0.0003360800000000, 0.0002320400000000, -0.0010886800000000 ] - [ 0.0000336800000000, 0.0002145100000000, -0.0007403400000000 ] - [ -0.0005219600000000, -0.0001648400000000, -0.0011484700000000 ] - [ 0.0000925200000000, -0.0002349300000000, -0.0007759400000000 ] - [ -0.0037720700000000, -0.0016773900000000, -0.0013785500000000 ] - [ 0.0000960200000000, 0.0002582700000000, 0.0004140300000000 ] - [ -0.0003568200000000, -0.0002394400000000, 0.0003620100000000 ] - [ -0.0000081400000000, -0.0002488600000000, 0.0005499400000000 ] - [ -0.0001158200000000, -0.0004829400000000, 0.0004610400000000 ] - [ 0.0005958600000000, -0.0006487700000000, 0.0003399100000000 ] - [ -0.0002502000000000, 0.0009317200000000, 0.0010600200000000 ] - [ 0.0006975400000000, 0.0006314600000000, 0.0003144000000000 ] - [ -0.0007698100000000, -0.0007970600000000, 0.0000280300000000 ] - [ 0.0000178500000000, -0.0004765000000000, -0.0002457200000000 ] - [ -0.0005307900000000, 0.0004949600000000, -0.0003462700000000 ] - [ -0.0001721300000000, 0.0005034600000000, -0.0000880900000000 ] - [ -0.0000893800000000, 0.0001156700000000, 0.0010072500000000 ] - [ 0.0002161500000000, 0.0000748700000000, 0.0008433700000000 ] - [ 0.0002233300000000, -0.0006046200000000, 0.0006072000000000 ] - [ 0.0006443400000000, 0.0000747400000000, 0.0009642900000000 ] - [ -0.0213693300000000, -0.0067713100000000, 0.0043507000000000 ] - [ 0.0001193400000000, -0.0005133000000000, 0.0006247700000000 ] - [ -0.0005067800000000, 0.0002849300000000, 0.0005591300000000 ] - [ -0.0002826800000000, 0.0002208000000000, 0.0005099800000000 ] - [ 0.0005087900000000, -0.0002733500000000, -0.0005303500000000 ] - [ 0.0004126100000000, -0.0004020800000000, -0.0004596500000000 ] - [ 0.0005379800000000, 0.0000073400000000, -0.0000891200000000 ] - [ 0.0007177000000000, 0.0003885900000000, -0.0010721300000000 ] - [ 0.0000612000000000, 0.0002727100000000, -0.0004803900000000 ] - [ 0.0000818600000000, 0.0000690700000000, -0.0010969300000000 ] - [ 0.0000451900000000, -0.0000625200000000, -0.0008333800000000 ] - [ -0.0000368900000000, -0.0000122000000000, -0.0008442000000000 ] - [ 0.0001330800000000, -0.0000011400000000, -0.0004492800000000 ] - [ 0.0005393600000000, -0.0005127100000000, 0.0005303400000000 ] - [ 0.0001243100000000, 0.0006163800000000, 0.0003726000000000 ] - [ 0.0004189600000000, 0.0004298100000000, 0.0001292900000000 ] - [ -0.0102420600000000, 0.0046731500000000, 0.0014428700000000 ] - [ -0.0000341500000000, -0.0003239000000000, -0.0004437600000000 ] - [ -0.0005779000000000, 0.0005627100000000, -0.0003773000000000 ] - [ -0.0003557600000000, 0.0005655000000000, -0.0003030100000000 ] - [ 0.0000546400000000, -0.0001252900000000, -0.0008299100000000 ] - [ 0.0003713800000000, 0.0001847700000000, -0.0003670700000000 ] - [ -0.0000539300000000, -0.0002655100000000, -0.0002513500000000 ] - [ 0.0002789700000000, -0.0002134200000000, -0.0005002700000000 ] - [ -0.0006390700000000, 0.0001425800000000, 0.0010227700000000 ] - [ 0.0003389500000000, 0.0001103000000000, 0.0007447200000000 ] - [ -0.0000150000000000, -0.0001369600000000, 0.0007345000000000 ] - [ 0.0002299900000000, -0.0001315000000000, 0.0007904900000000 ] - [ -0.0012183200000000, 0.0007284200000000, 0.0002405800000000 ] - [ -0.0000520400000000, 0.0006066500000000, 0.0004656200000000 ] - [ -0.0020176400000000, -0.0008408800000000, 0.0002020300000000 ] - [ 0.0001649200000000, -0.0006412000000000, 0.0005382700000000 ] - [ -0.0165412300000000, 0.0167866900000000, -0.0135238700000000 ] - [ 0.0008210300000000, -0.0001254300000000, -0.0002305200000000 ] - [ -0.0001825600000000, 0.0000429900000000, -0.0000153700000000 ] - [ 0.0008645000000000, 0.0000955500000000, 0.0002140000000000 ] - [ 0.0003668300000000, 0.0001743000000000, -0.0010182800000000 ] - [ -0.0000173100000000, -0.0000172400000000, 0.0001574000000000 ] - [ -0.0005585000000000, -0.0004509800000000, 0.0003105100000000 ] - [ -0.0001415000000000, 0.0002004900000000, -0.0001363700000000 ] - [ 0.0014838000000000, 0.0009410000000000, 0.0001731700000000 ] - [ 0.0010370100000000, -0.0004301300000000, -0.0008406900000000 ] - [ 0.0001864200000000, -0.0006142000000000, -0.0002566800000000 ] - [ 0.0003920100000000, -0.0006319600000000, 0.0000312700000000 ] - [ 0.0047751700000000, -0.0042569600000000, 0.0034487000000000 ] - [ -0.0003439500000000, -0.0001551300000000, 0.0006405200000000 ] - [ 0.0008887600000000, 0.0000899300000000, 0.0003575700000000 ] - [ -0.0002876600000000, 0.0002300100000000, 0.0006424900000000 ] - [ 0.0526462000000000, -0.0083709200000000, 0.0048353500000000 ] - [ -0.0004888600000000, -0.0001437300000000, 0.0003225300000000 ] - [ 0.0003474600000000, 0.0001056500000000, 0.0003784400000000 ] - [ -0.0002388000000000, 0.0000465000000000, 0.0001164500000000 ] - [ 0.0022505300000000, 0.0013805500000000, 0.0016874100000000 ] - [ -0.0006856700000000, 0.0007107700000000, -0.0004524700000000 ] - [ 0.0001203000000000, -0.0005883500000000, -0.0003837200000000 ] - [ -0.0004615500000000, -0.0005438200000000, -0.0005975300000000 ] - [ -0.0000610300000000, -0.0008515500000000, -0.0001522800000000 ] - [ -0.0008704700000000, -0.0003341300000000, 0.0003529000000000 ] - [ 0.0000552800000000, -0.0000761200000000, -0.0002934300000000 ] - [ -0.0006283100000000, -0.0005052800000000, -0.0000411400000000 ] - [ -0.0004309800000000, 0.0003302100000000, 0.0006441100000000 ] - [ -0.0009547500000000, 0.0002893800000000, 0.0002361400000000 ] - [ 0.0000893900000000, -0.0009009200000000, 0.0013858700000000 ] - [ -0.0007516600000000, 0.0005900400000000, -0.0002098500000000 ] - [ -0.0003434200000000, -0.0019954700000000, 0.0015196100000000 ] - [ -0.0008211200000000, -0.0001833200000000, 0.0007123500000000 ] - [ -0.0000453600000000, 0.0000203900000000, 0.0007219400000000 ] - [ -0.0004947500000000, 0.0000964300000000, 0.0006985800000000 ] - [ 0.0005850200000000, -0.0000669500000000, -0.0009039800000000 ] - [ -0.0003068500000000, -0.0000965200000000, -0.0015572800000000 ] - [ -0.0009447700000000, 0.0003899000000000, -0.0023984100000000 ] - [ 0.0000131900000000, 0.0001950200000000, -0.0003340400000000 ] - [ -0.0016869100000000, -0.0007069900000000, -0.0002335400000000 ] - [ -0.0020970700000000, -0.0001090400000000, 0.0005290500000000 ] - [ -0.0010200400000000, -0.0023445600000000, 0.0008022200000000 ] - [ 0.0005101700000000, -0.0000755700000000, -0.0003420900000000 ] - [ 0.0003973800000000, 0.0005204600000000, 0.0000449100000000 ] - [ 0.0004876700000000, 0.0006182300000000, 0.0000187200000000 ] - [ 0.0006713700000000, 0.0003208900000000, -0.0004066700000000 ] - [ 0.0007760700000000, 0.0001697700000000, -0.0003944000000000 ] - [ 0.0003382400000000, 0.0003334500000000, 0.0008666600000000 ] - [ -0.0000435900000000, 0.0005415000000000, 0.0002911500000000 ] - [ 0.0004843300000000, -0.0005309000000000, 0.0005217000000000 ] - [ -0.0000687300000000, -0.0005305000000000, 0.0004962100000000 ] - [ 0.0000220500000000, -0.0001599500000000, 0.0001690000000000 ] - [ -0.0002770200000000, -0.0000844000000000, -0.0003962300000000 ] - [ -0.0004251500000000, 0.0019903300000000, -0.0019394400000000 ] - [ -0.0002961800000000, -0.0000909800000000, -0.0001153500000000 ] - [ -0.0007201600000000, 0.0020696200000000, 0.0002164300000000 ] - [ -0.0006358500000000, -0.0002648100000000, -0.0005483200000000 ] - [ 0.0004001200000000, 0.0001774600000000, -0.0007609400000000 ] - [ -0.0005703100000000, 0.0001865300000000, -0.0005304100000000 ]- atom: 69 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0001827500000000, 0.0012753900000000, -0.0007235500000000 ] - [ -0.0001116000000000, 0.0002453200000000, -0.0008228100000000 ] - [ -0.0002830600000000, -0.0008272600000000, -0.0019710700000000 ] - [ -0.0001414800000000, -0.0002580300000000, -0.0007669800000000 ] - [ 0.0024449100000000, 0.0076007600000000, 0.0049410600000000 ] - [ -0.0001339100000000, 0.0002921500000000, 0.0004827000000000 ] - [ -0.0001648900000000, -0.0004267500000000, 0.0006757600000000 ] - [ -0.0001079500000000, -0.0003408600000000, 0.0004993300000000 ] - [ 0.0006354400000000, -0.0016285000000000, 0.0008135200000000 ] - [ 0.0004668100000000, -0.0006493800000000, 0.0002691000000000 ] - [ 0.0006582500000000, 0.0029869700000000, 0.0035456500000000 ] - [ 0.0004426100000000, 0.0007022300000000, 0.0003200600000000 ] - [ 0.0001629100000000, -0.0020736000000000, 0.0005374300000000 ] - [ -0.0003504300000000, -0.0005925800000000, -0.0001490600000000 ] - [ -0.0001930200000000, 0.0006258400000000, 0.0004669900000000 ] - [ -0.0002815000000000, 0.0005969400000000, -0.0001188800000000 ] - [ 0.0000048400000000, 0.0005045500000000, 0.0010014200000000 ] - [ 0.0000846200000000, 0.0001582900000000, 0.0008402100000000 ] - [ 0.0011255700000000, -0.0005800500000000, 0.0000351700000000 ] - [ -0.0000689700000000, -0.0000524000000000, 0.0007424500000000 ] - [ 0.0042642000000000, 0.0039379500000000, -0.0007940200000000 ] - [ -0.0003943500000000, -0.0002408000000000, 0.0004803400000000 ] - [ -0.0004569900000000, 0.0001160900000000, 0.0006003400000000 ] - [ -0.0003560800000000, 0.0001608000000000, 0.0004748900000000 ] - [ 0.0004690000000000, -0.0003715800000000, -0.0004634500000000 ] - [ 0.0004373500000000, -0.0004873400000000, -0.0004979000000000 ] - [ 0.0007105600000000, 0.0005986300000000, -0.0006515600000000 ] - [ -0.0001204400000000, 0.0006262100000000, -0.0005767300000000 ] - [ 0.0000948000000000, -0.0002212300000000, -0.0010119200000000 ] - [ -0.0006041200000000, -0.0004143000000000, -0.0004795700000000 ] - [ -0.0000062300000000, 0.0000070600000000, -0.0008557900000000 ] - [ -0.0002759900000000, 0.0000169800000000, -0.0009514100000000 ] - [ -0.0004584500000000, 0.0002341300000000, 0.0001475700000000 ] - [ 0.0004193800000000, -0.0002720600000000, 0.0000157500000000 ] - [ 0.0003421600000000, 0.0002780600000000, 0.0002107300000000 ] - [ 0.0002206200000000, 0.0004344700000000, 0.0003251000000000 ] - [ -0.0037644800000000, 0.0026984200000000, 0.0000955300000000 ] - [ -0.0005567400000000, -0.0005131200000000, -0.0003549000000000 ] - [ -0.0004825400000000, 0.0004085200000000, -0.0002849800000000 ] - [ -0.0004471900000000, 0.0004851300000000, -0.0003400200000000 ] - [ -0.0005308700000000, -0.0004852000000000, -0.0004227400000000 ] - [ 0.0003319600000000, 0.0001220400000000, -0.0005770400000000 ] - [ 0.0001926000000000, 0.0002266800000000, -0.0003373500000000 ] - [ 0.0000680100000000, -0.0001647300000000, -0.0003440200000000 ] - [ -0.0008893600000000, -0.0009526600000000, 0.0008963100000000 ] - [ 0.0000770000000000, 0.0000807700000000, 0.0007309700000000 ] - [ 0.0001232500000000, 0.0000127600000000, 0.0008571100000000 ] - [ 0.0001165400000000, -0.0000531200000000, 0.0007336400000000 ] - [ -0.0005908600000000, -0.0004738100000000, 0.0002279100000000 ] - [ -0.0003722300000000, 0.0005564200000000, 0.0003749200000000 ] - [ -0.0001526000000000, -0.0045108500000000, 0.0024969900000000 ] - [ -0.0004135100000000, -0.0006632400000000, 0.0003264900000000 ] - [ -0.0189497700000000, 0.0443020800000000, -0.0315271400000000 ] - [ 0.0002114700000000, -0.0000235400000000, -0.0001098400000000 ] - [ 0.0006289400000000, 0.0002304000000000, 0.0000955000000000 ] - [ 0.0002588200000000, 0.0001089100000000, 0.0000399400000000 ] - [ 0.0014218200000000, 0.0004490900000000, -0.0020257400000000 ] - [ -0.0007472400000000, -0.0002331500000000, -0.0004552800000000 ] - [ -0.0007735200000000, -0.0012486800000000, 0.0000418300000000 ] - [ -0.0005991500000000, 0.0000297600000000, 0.0001953500000000 ] - [ -0.0006506800000000, 0.0028592400000000, -0.0008912600000000 ] - [ 0.0004013800000000, 0.0008298700000000, -0.0003364400000000 ] - [ -0.0001303900000000, -0.0005882400000000, 0.0001144900000000 ] - [ 0.0001382500000000, -0.0004354800000000, 0.0004254800000000 ] - [ 0.0058003600000000, -0.0000369700000000, -0.0038894800000000 ] - [ 0.0001666600000000, -0.0002374300000000, 0.0007008000000000 ] - [ 0.0002497400000000, -0.0000790500000000, 0.0012331100000000 ] - [ 0.0002482600000000, 0.0002087100000000, 0.0003878600000000 ] - [ 0.0092360000000000, -0.0793185100000000, 0.0306138100000000 ] - [ 0.0001096100000000, -0.0002122600000000, 0.0003613400000000 ] - [ 0.0000551400000000, 0.0003726100000000, 0.0000376900000000 ] - [ 0.0000115600000000, 0.0003390400000000, 0.0003434400000000 ] - [ 0.0001834700000000, 0.0097463800000000, 0.0015971000000000 ] - [ 0.0000273300000000, 0.0006775800000000, -0.0003877200000000 ] - [ -0.0001522900000000, -0.0010092800000000, -0.0007214400000000 ] - [ -0.0002472100000000, -0.0008389800000000, -0.0003952300000000 ] - [ -0.0004743000000000, -0.0001888800000000, 0.0016636400000000 ] - [ -0.0007228000000000, -0.0004411400000000, 0.0003772900000000 ] - [ -0.0000311600000000, 0.0005863400000000, -0.0004351600000000 ] - [ -0.0004140300000000, -0.0003368800000000, -0.0000863400000000 ] - [ -0.0004446500000000, 0.0017376100000000, 0.0002235100000000 ] - [ -0.0007101800000000, 0.0004777300000000, 0.0003804100000000 ] - [ 0.0012213600000000, 0.0013019900000000, -0.0032033000000000 ] - [ -0.0005333100000000, 0.0004039600000000, -0.0000691200000000 ] - [ 0.0023075000000000, 0.0048874000000000, -0.0002731000000000 ] - [ -0.0002452200000000, -0.0000170000000000, 0.0008637800000000 ] - [ -0.0001291700000000, 0.0003819500000000, 0.0006328500000000 ] - [ -0.0003527200000000, 0.0000974800000000, 0.0007241100000000 ] - [ 0.0007700500000000, -0.0000831700000000, -0.0013451800000000 ] - [ -0.0010014700000000, -0.0002221600000000, -0.0023943500000000 ] - [ 0.0010603100000000, -0.0002331400000000, 0.0001198700000000 ] - [ 0.0002002000000000, -0.0000032900000000, -0.0006626000000000 ] - [ 0.0002676000000000, -0.0016987200000000, 0.0001655300000000 ] - [ 0.0004501500000000, -0.0012575700000000, 0.0002345100000000 ] - [ 0.0016957800000000, 0.0008414600000000, -0.0006582300000000 ] - [ 0.0003859200000000, 0.0000588400000000, -0.0001737800000000 ] - [ 0.0005447800000000, 0.0008634900000000, 0.0000111200000000 ] - [ 0.0006270200000000, 0.0008005400000000, -0.0000952400000000 ] - [ 0.0007850700000000, -0.0001058300000000, -0.0005605300000000 ] - [ 0.0009968100000000, -0.0001644200000000, -0.0004912500000000 ] - [ 0.0004173200000000, -0.0000087300000000, 0.0007940700000000 ] - [ 0.0002883800000000, 0.0003720600000000, 0.0006399500000000 ] - [ 0.0002798200000000, 0.0002352400000000, 0.0010475900000000 ] - [ 0.0003216700000000, -0.0004708600000000, 0.0003960900000000 ] - [ -0.0000914600000000, 0.0008977900000000, 0.0003530100000000 ] - [ -0.0000373600000000, 0.0002079800000000, -0.0000965900000000 ] - [ -0.0021066100000000, 0.0021937400000000, -0.0032133800000000 ] - [ 0.0001273000000000, 0.0000265700000000, -0.0003455200000000 ] - [ -0.0034523000000000, 0.0039685500000000, 0.0015306600000000 ] - [ -0.0001232300000000, -0.0001868900000000, -0.0005636900000000 ] - [ -0.0000653000000000, 0.0002303800000000, -0.0009260000000000 ] - [ -0.0000766000000000, 0.0002193100000000, -0.0006825100000000 ]- atom: 69 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0003858200000000, -0.0009277200000000, -0.0008229700000000 ] - [ -0.0000899400000000, 0.0001063900000000, -0.0007256400000000 ] - [ 0.0000859800000000, 0.0004742300000000, 0.0004248500000000 ] - [ -0.0000595300000000, -0.0000900100000000, -0.0007803600000000 ] - [ -0.0025657900000000, -0.0067721600000000, -0.0036829700000000 ] - [ -0.0001187000000000, 0.0002156200000000, 0.0004640500000000 ] - [ -0.0000866500000000, -0.0000796300000000, 0.0002719100000000 ] - [ -0.0001442400000000, -0.0001664100000000, 0.0004465900000000 ] - [ 0.0003124100000000, 0.0004379800000000, -0.0001848600000000 ] - [ 0.0004800400000000, -0.0005417300000000, 0.0003620700000000 ] - [ 0.0002836400000000, -0.0017590300000000, -0.0028906700000000 ] - [ 0.0005047700000000, 0.0004884300000000, 0.0003107600000000 ] - [ -0.0007471300000000, 0.0010526100000000, -0.0008879500000000 ] - [ -0.0002325300000000, -0.0004267300000000, -0.0001951200000000 ] - [ -0.0003892200000000, 0.0003912200000000, -0.0008124500000000 ] - [ -0.0003013400000000, 0.0004206700000000, -0.0002257500000000 ] - [ 0.0001526400000000, -0.0004031600000000, 0.0006577800000000 ] - [ 0.0000739000000000, -0.0000559200000000, 0.0008196600000000 ] - [ -0.0009695700000000, 0.0004709900000000, 0.0016263000000000 ] - [ 0.0002266600000000, -0.0000518300000000, 0.0009176400000000 ] - [ -0.0049542400000000, -0.0044307400000000, 0.0017801500000000 ] - [ -0.0003669400000000, -0.0002326400000000, 0.0005227900000000 ] - [ -0.0003024600000000, 0.0003600000000000, 0.0004035300000000 ] - [ -0.0004026800000000, 0.0003159000000000, 0.0005295400000000 ] - [ 0.0002916400000000, -0.0001040600000000, -0.0005419500000000 ] - [ 0.0003219000000000, 0.0000106400000000, -0.0005079400000000 ] - [ 0.0000489000000000, -0.0001214800000000, -0.0003566700000000 ] - [ 0.0008811600000000, -0.0001502200000000, -0.0004314800000000 ] - [ -0.0002531200000000, 0.0003243100000000, -0.0006488400000000 ] - [ 0.0004436900000000, 0.0005205500000000, -0.0011789700000000 ] - [ -0.0001508900000000, -0.0001102900000000, -0.0008045700000000 ] - [ 0.0001184400000000, -0.0001198600000000, -0.0007085700000000 ] - [ 0.0010407100000000, -0.0012527500000000, 0.0002019000000000 ] - [ 0.0001642200000000, -0.0007455700000000, 0.0003302800000000 ] - [ 0.0002393800000000, 0.0007398600000000, 0.0001331000000000 ] - [ 0.0003619000000000, 0.0005838800000000, 0.0000195600000000 ] - [ 0.0026483900000000, -0.0038097900000000, -0.0007352100000000 ] - [ -0.0003889800000000, -0.0006768700000000, -0.0002767300000000 ] - [ -0.0004643400000000, 0.0007826600000000, -0.0003472000000000 ] - [ -0.0005001600000000, 0.0007046500000000, -0.0002910300000000 ] - [ 0.0007847000000000, 0.0009925400000000, -0.0005203600000000 ] - [ -0.0000799500000000, 0.0003843800000000, -0.0003689500000000 ] - [ 0.0000569000000000, -0.0007309000000000, -0.0006111900000000 ] - [ 0.0001843800000000, -0.0003419400000000, -0.0006021600000000 ] - [ 0.0010998900000000, 0.0012994800000000, 0.0006528400000000 ] - [ 0.0001231300000000, 0.0002661700000000, 0.0008164700000000 ] - [ 0.0000771500000000, -0.0003611600000000, 0.0006893700000000 ] - [ 0.0000844000000000, -0.0002951700000000, 0.0008134300000000 ] - [ -0.0000369300000000, 0.0016499200000000, 0.0004927300000000 ] - [ -0.0002546500000000, 0.0006155200000000, 0.0003477800000000 ] - [ -0.0004933900000000, 0.0033289800000000, -0.0017417500000000 ] - [ -0.0002143500000000, -0.0005080000000000, 0.0003964700000000 ] - [ 0.0201218000000000, -0.0459659100000000, 0.0329569200000000 ] - [ 0.0003029100000000, -0.0002022400000000, 0.0001055500000000 ] - [ -0.0001089000000000, -0.0000065100000000, -0.0001058000000000 ] - [ 0.0002564500000000, 0.0001157400000000, -0.0000454500000000 ] - [ -0.0019309600000000, -0.0006671600000000, 0.0020254600000000 ] - [ 0.0002298400000000, 0.0000091800000000, 0.0004590900000000 ] - [ 0.0002568000000000, 0.0014746700000000, -0.0000418700000000 ] - [ 0.0000835400000000, 0.0001958900000000, -0.0001892800000000 ] - [ 0.0012391300000000, -0.0017169100000000, 0.0001619900000000 ] - [ 0.0002265300000000, 0.0003354400000000, -0.0003872200000000 ] - [ 0.0007588600000000, -0.0005833800000000, -0.0008434300000000 ] - [ 0.0004895700000000, -0.0007358000000000, -0.0011442000000000 ] - [ -0.0053499900000000, -0.0003868200000000, 0.0050868700000000 ] - [ 0.0003172200000000, -0.0001837900000000, 0.0004619300000000 ] - [ 0.0002314200000000, 0.0005045700000000, -0.0000626400000000 ] - [ 0.0002356600000000, 0.0002126200000000, 0.0007759300000000 ] - [ -0.0097067000000000, 0.0802691600000000, -0.0318312200000000 ] - [ 0.0000531100000000, -0.0000250700000000, 0.0002296600000000 ] - [ 0.0001076900000000, -0.0001338900000000, 0.0005554200000000 ] - [ 0.0001501400000000, -0.0001017100000000, 0.0002473900000000 ] - [ -0.0004369300000000, -0.0086502900000000, -0.0024440000000000 ] - [ -0.0002986900000000, 0.0005606700000000, -0.0004787200000000 ] - [ -0.0001183700000000, -0.0002294800000000, -0.0001424800000000 ] - [ -0.0000245400000000, -0.0003992600000000, -0.0004709200000000 ] - [ -0.0009476700000000, -0.0004894000000000, -0.0009867900000000 ] - [ -0.0006986400000000, -0.0002315700000000, 0.0003082900000000 ] - [ -0.0008095200000000, -0.0015254300000000, 0.0002542700000000 ] - [ -0.0004262600000000, -0.0005983800000000, -0.0000988900000000 ] - [ -0.0009696500000000, -0.0010612300000000, 0.0004542600000000 ] - [ -0.0007109300000000, 0.0001942300000000, 0.0003050900000000 ] - [ -0.0020496100000000, -0.0003947800000000, 0.0030135300000000 ] - [ -0.0003061300000000, 0.0005303600000000, -0.0001158500000000 ] - [ -0.0028336900000000, -0.0050326300000000, 0.0018986800000000 ] - [ -0.0003149200000000, -0.0001558900000000, 0.0007604400000000 ] - [ -0.0004309000000000, -0.0002102000000000, 0.0009923400000000 ] - [ -0.0002075400000000, 0.0000753400000000, 0.0009014100000000 ] - [ -0.0002126200000000, -0.0000891100000000, -0.0002778200000000 ] - [ 0.0015552600000000, 0.0000488900000000, 0.0007593000000000 ] - [ -0.0005016700000000, 0.0004081900000000, -0.0017487500000000 ] - [ 0.0003601600000000, 0.0001772200000000, -0.0009615300000000 ] - [ 0.0005899300000000, 0.0007657900000000, 0.0000234000000000 ] - [ 0.0003809600000000, 0.0003257000000000, -0.0000468200000000 ] - [ -0.0002771800000000, -0.0015136900000000, -0.0000240300000000 ] - [ 0.0010368100000000, -0.0007278100000000, -0.0005128800000000 ] - [ 0.0002943000000000, 0.0000710100000000, 0.0001762800000000 ] - [ 0.0002140700000000, 0.0001358500000000, 0.0002807000000000 ] - [ 0.0006357300000000, 0.0007781600000000, -0.0001234000000000 ] - [ 0.0004252900000000, 0.0008353100000000, -0.0001941000000000 ] - [ -0.0001445400000000, 0.0012437400000000, 0.0000741000000000 ] - [ -0.0000167200000000, 0.0008642900000000, 0.0002271400000000 ] - [ -0.0000092600000000, -0.0014716600000000, -0.0001810300000000 ] - [ -0.0000497700000000, -0.0007666500000000, 0.0004698500000000 ] - [ -0.0000720100000000, -0.0011312000000000, -0.0009398500000000 ] - [ -0.0001253300000000, -0.0004442800000000, -0.0004935600000000 ] - [ 0.0019307100000000, -0.0019661200000000, 0.0026140100000000 ] - [ -0.0002894400000000, 0.0002094600000000, -0.0002447900000000 ] - [ 0.0029434200000000, -0.0043716700000000, -0.0026740000000000 ] - [ -0.0003598100000000, -0.0002349400000000, -0.0005998300000000 ] - [ -0.0004191300000000, 0.0001898100000000, -0.0002365000000000 ] - [ -0.0004066700000000, 0.0002017300000000, -0.0004809000000000 ]- atom: 69 displacement: [ -0.0007714822112317, 0.0000000000000000, 0.0099701963470011 ] forces: - [ 0.0000057100000000, -0.0002090200000000, -0.0020548200000000 ] - [ -0.0001281900000000, 0.0001779100000000, -0.0007484400000000 ] - [ -0.0000211600000000, -0.0003511600000000, 0.0001133800000000 ] - [ -0.0000974500000000, -0.0001180700000000, -0.0007874800000000 ] - [ 0.0024413700000000, 0.0059515000000000, 0.0090211300000000 ] - [ -0.0001392100000000, 0.0002494200000000, 0.0005149000000000 ] - [ 0.0000730900000000, -0.0001479600000000, 0.0001417100000000 ] - [ -0.0001484300000000, -0.0002031800000000, 0.0004261100000000 ] - [ 0.0000870500000000, 0.0002918600000000, -0.0003814000000000 ] - [ 0.0004521300000000, -0.0005935100000000, 0.0003335800000000 ] - [ -0.0004325800000000, 0.0019392100000000, 0.0110729100000000 ] - [ 0.0004750700000000, 0.0005180000000000, 0.0003192900000000 ] - [ -0.0005339000000000, 0.0000053500000000, 0.0000789800000000 ] - [ -0.0003482700000000, -0.0005293500000000, -0.0001275900000000 ] - [ -0.0003124100000000, 0.0004811100000000, -0.0010856800000000 ] - [ -0.0003047800000000, 0.0004541600000000, -0.0002330800000000 ] - [ 0.0000686100000000, 0.0001512900000000, 0.0003519800000000 ] - [ 0.0000805000000000, 0.0000070800000000, 0.0007956900000000 ] - [ 0.0000425100000000, -0.0006437900000000, 0.0013369600000000 ] - [ -0.0000201800000000, -0.0000400000000000, 0.0008269300000000 ] - [ -0.0057851000000000, -0.0023494200000000, 0.0036703900000000 ] - [ -0.0003467000000000, -0.0003162400000000, 0.0005213700000000 ] - [ -0.0002870300000000, 0.0001509900000000, 0.0003309900000000 ] - [ -0.0004019800000000, 0.0002757300000000, 0.0005043900000000 ] - [ 0.0004976900000000, -0.0002560000000000, -0.0005901900000000 ] - [ 0.0001834100000000, -0.0000900000000000, -0.0005809800000000 ] - [ 0.0000967300000000, 0.0000677800000000, -0.0002707700000000 ] - [ 0.0011298200000000, 0.0000438900000000, -0.0004786000000000 ] - [ -0.0001863100000000, 0.0000410800000000, -0.0007739600000000 ] - [ 0.0001800100000000, 0.0002551900000000, -0.0008368400000000 ] - [ 0.0000419800000000, -0.0000586400000000, -0.0009697400000000 ] - [ -0.0005447800000000, -0.0001021900000000, -0.0010337400000000 ] - [ 0.0012404500000000, -0.0007899900000000, 0.0001058600000000 ] - [ 0.0000091200000000, -0.0006428400000000, 0.0004618800000000 ] - [ 0.0000701500000000, 0.0005168400000000, 0.0000783300000000 ] - [ 0.0003998700000000, 0.0004467100000000, -0.0000698100000000 ] - [ -0.0033287600000000, 0.0002826400000000, 0.0008900000000000 ] - [ -0.0003679200000000, -0.0005598400000000, -0.0003205500000000 ] - [ -0.0004854300000000, 0.0006893600000000, -0.0006256000000000 ] - [ -0.0005587200000000, 0.0006674700000000, -0.0003264200000000 ] - [ 0.0012163300000000, 0.0007459600000000, -0.0000616100000000 ] - [ -0.0001132900000000, 0.0003523600000000, -0.0003098500000000 ] - [ -0.0001787400000000, -0.0004085700000000, -0.0007084200000000 ] - [ 0.0002465100000000, -0.0002312000000000, -0.0007263200000000 ] - [ 0.0005401700000000, 0.0003551200000000, 0.0009954500000000 ] - [ 0.0000976300000000, 0.0001865000000000, 0.0008097300000000 ] - [ 0.0000391200000000, -0.0002521400000000, 0.0004515800000000 ] - [ 0.0000142200000000, -0.0002709500000000, 0.0007633300000000 ] - [ 0.0007523000000000, -0.0003553300000000, -0.0004718400000000 ] - [ -0.0003332400000000, 0.0005727300000000, 0.0002634800000000 ] - [ -0.0004391000000000, 0.0029624000000000, 0.0003893300000000 ] - [ -0.0003095400000000, -0.0005535400000000, 0.0004049900000000 ] - [ 0.0150338700000000, -0.0304014200000000, 0.0346815600000000 ] - [ 0.0002725100000000, -0.0000954900000000, 0.0001849000000000 ] - [ 0.0009079700000000, 0.0000170900000000, -0.0013504900000000 ] - [ 0.0000735300000000, 0.0001347500000000, -0.0002147400000000 ] - [ -0.0001572800000000, -0.0002851300000000, 0.0006089300000000 ] - [ -0.0002213100000000, -0.0001029900000000, 0.0004435000000000 ] - [ 0.0003445900000000, 0.0011768500000000, -0.0003321500000000 ] - [ -0.0000226800000000, 0.0002477600000000, -0.0003490600000000 ] - [ -0.0007835200000000, 0.0006825500000000, 0.0007644500000000 ] - [ 0.0005683200000000, 0.0002149300000000, -0.0000739500000000 ] - [ 0.0006766700000000, -0.0005585300000000, -0.0012049900000000 ] - [ 0.0002617100000000, -0.0005657500000000, -0.0010011400000000 ] - [ -0.0031674100000000, -0.0037553300000000, 0.0054637200000000 ] - [ 0.0003584500000000, -0.0001873500000000, 0.0003878300000000 ] - [ 0.0001219400000000, 0.0009686400000000, 0.0020551300000000 ] - [ 0.0002601400000000, 0.0002000200000000, 0.0008159000000000 ] - [ -0.0037643800000000, 0.0306977700000000, -0.0635585400000000 ] - [ 0.0000083100000000, -0.0000553100000000, 0.0002304400000000 ] - [ 0.0000593200000000, 0.0003738000000000, 0.0010696000000000 ] - [ 0.0002393900000000, 0.0000658600000000, 0.0003723600000000 ] - [ -0.0021958500000000, -0.0010041000000000, -0.0065931900000000 ] - [ -0.0001436700000000, 0.0005658100000000, -0.0005039500000000 ] - [ -0.0001220500000000, -0.0007894500000000, 0.0005076700000000 ] - [ 0.0000476800000000, -0.0005786000000000, -0.0003512700000000 ] - [ -0.0004431500000000, 0.0015133100000000, 0.0025488400000000 ] - [ -0.0007812200000000, -0.0002825900000000, 0.0003443800000000 ] - [ -0.0005328600000000, -0.0009048300000000, 0.0001748500000000 ] - [ -0.0004669900000000, -0.0004916300000000, -0.0001006800000000 ] - [ -0.0009541000000000, -0.0007163100000000, 0.0002171800000000 ] - [ -0.0006293600000000, 0.0003011000000000, 0.0003487000000000 ] - [ -0.0021855700000000, -0.0028939100000000, 0.0036815700000000 ] - [ -0.0002847400000000, 0.0004844900000000, -0.0001319800000000 ] - [ -0.0011864100000000, -0.0013741600000000, -0.0000848700000000 ] - [ -0.0002325600000000, -0.0000088100000000, 0.0007244200000000 ] - [ -0.0002996900000000, 0.0003197300000000, 0.0020092200000000 ] - [ -0.0002053400000000, 0.0000844300000000, 0.0009998500000000 ] - [ 0.0000020400000000, -0.0000742000000000, -0.0004128200000000 ] - [ 0.0013256700000000, -0.0000452500000000, 0.0002775800000000 ] - [ 0.0005303900000000, -0.0000167900000000, -0.0008267100000000 ] - [ -0.0003453700000000, 0.0002540800000000, -0.0007213400000000 ] - [ 0.0000000400000000, -0.0004393700000000, -0.0006999800000000 ] - [ -0.0001067300000000, -0.0003459700000000, -0.0004858700000000 ] - [ 0.0013123000000000, 0.0003871300000000, -0.0012979100000000 ] - [ 0.0009617100000000, -0.0003411400000000, -0.0006807500000000 ] - [ 0.0003002800000000, 0.0002096700000000, 0.0004747200000000 ] - [ 0.0003061100000000, 0.0002676200000000, 0.0003580900000000 ] - [ 0.0006373400000000, 0.0005933100000000, 0.0000541000000000 ] - [ 0.0006453400000000, 0.0005635600000000, -0.0000472900000000 ] - [ -0.0002972100000000, 0.0009325600000000, 0.0006317300000000 ] - [ 0.0002947700000000, 0.0007789000000000, 0.0002307700000000 ] - [ 0.0000504600000000, -0.0012122600000000, -0.0001944600000000 ] - [ 0.0000377200000000, -0.0006341400000000, 0.0004910400000000 ] - [ -0.0005423100000000, -0.0007675700000000, -0.0003901000000000 ] - [ -0.0000039300000000, -0.0003131100000000, -0.0004332600000000 ] - [ 0.0016624900000000, -0.0026252700000000, 0.0023664400000000 ] - [ -0.0002715300000000, 0.0000519800000000, -0.0001473300000000 ] - [ -0.0001873300000000, 0.0008091300000000, -0.0015591600000000 ] - [ -0.0001704800000000, -0.0002356900000000, -0.0006823600000000 ] - [ -0.0005718200000000, 0.0002234600000000, -0.0000423000000000 ] - [ -0.0003525200000000, 0.0002154700000000, -0.0004477900000000 ]- atom: 69 displacement: [ 0.0007714822112317, 0.0000000000000000, -0.0099701963470011 ] forces: - [ -0.0002040500000000, 0.0005584700000000, 0.0005046300000000 ] - [ -0.0000722600000000, 0.0001707900000000, -0.0007998900000000 ] - [ -0.0001792200000000, 0.0000035800000000, -0.0016631500000000 ] - [ -0.0001037200000000, -0.0002291500000000, -0.0007616900000000 ] - [ -0.0026028600000000, -0.0052267700000000, -0.0079557500000000 ] - [ -0.0001128700000000, 0.0002572400000000, 0.0004326700000000 ] - [ -0.0003240800000000, -0.0003587600000000, 0.0008073200000000 ] - [ -0.0001031500000000, -0.0003035900000000, 0.0005197900000000 ] - [ 0.0008592800000000, -0.0014816800000000, 0.0010118000000000 ] - [ 0.0004947200000000, -0.0005969000000000, 0.0002965800000000 ] - [ 0.0013295900000000, -0.0007893400000000, -0.0111490800000000 ] - [ 0.0004713600000000, 0.0006740300000000, 0.0003106800000000 ] - [ -0.0000462200000000, -0.0010205600000000, -0.0004201200000000 ] - [ -0.0002365300000000, -0.0004899500000000, -0.0002178000000000 ] - [ -0.0002708300000000, 0.0005375000000000, 0.0007396700000000 ] - [ -0.0002789800000000, 0.0005642500000000, -0.0001122300000000 ] - [ 0.0000885900000000, -0.0000425000000000, 0.0013088700000000 ] - [ 0.0000794100000000, 0.0000986800000000, 0.0008642900000000 ] - [ 0.0001165700000000, 0.0005328200000000, 0.0003214300000000 ] - [ 0.0001795000000000, -0.0000732100000000, 0.0008335500000000 ] - [ 0.0050604600000000, 0.0018993400000000, -0.0026332800000000 ] - [ -0.0004137600000000, -0.0001601600000000, 0.0004827600000000 ] - [ -0.0004735700000000, 0.0003262400000000, 0.0006738300000000 ] - [ -0.0003569000000000, 0.0001990900000000, 0.0005009300000000 ] - [ 0.0002619100000000, -0.0002175700000000, -0.0004153300000000 ] - [ 0.0005761100000000, -0.0003860000000000, -0.0004243000000000 ] - [ 0.0006621600000000, 0.0004100500000000, -0.0007348500000000 ] - [ -0.0003704700000000, 0.0004288000000000, -0.0005293600000000 ] - [ 0.0000324800000000, 0.0000548500000000, -0.0008879100000000 ] - [ -0.0003353700000000, -0.0001506400000000, -0.0008265200000000 ] - [ -0.0002011600000000, -0.0000482400000000, -0.0006895400000000 ] - [ 0.0003837500000000, -0.0000025200000000, -0.0006270800000000 ] - [ -0.0006599500000000, -0.0002265700000000, 0.0002403000000000 ] - [ 0.0005749800000000, -0.0003744800000000, -0.0001159500000000 ] - [ 0.0005149500000000, 0.0005017800000000, 0.0002657300000000 ] - [ 0.0001824900000000, 0.0005726000000000, 0.0004151400000000 ] - [ 0.0024246400000000, -0.0015006800000000, -0.0015686500000000 ] - [ -0.0005791400000000, -0.0006299300000000, -0.0003100800000000 ] - [ -0.0004609800000000, 0.0005011000000000, -0.0000025100000000 ] - [ -0.0003901900000000, 0.0005219300000000, -0.0003034100000000 ] - [ -0.0009601900000000, -0.0002382200000000, -0.0008791300000000 ] - [ 0.0003644900000000, 0.0001541700000000, -0.0006346800000000 ] - [ 0.0004333000000000, -0.0000968900000000, -0.0002391500000000 ] - [ 0.0000047100000000, -0.0002748100000000, -0.0002202500000000 ] - [ -0.0003399100000000, -0.0000051100000000, 0.0005474000000000 ] - [ 0.0001021000000000, 0.0001615600000000, 0.0007376500000000 ] - [ 0.0001623600000000, -0.0000964000000000, 0.0010982100000000 ] - [ 0.0001860600000000, -0.0000773300000000, 0.0007849400000000 ] - [ -0.0013650200000000, 0.0015222000000000, 0.0012010200000000 ] - [ -0.0002908100000000, 0.0005984800000000, 0.0004624500000000 ] - [ -0.0002013000000000, -0.0041505400000000, 0.0003369900000000 ] - [ -0.0003146900000000, -0.0006171800000000, 0.0003191200000000 ] - [ -0.0141534800000000, 0.0292181000000000, -0.0342350400000000 ] - [ 0.0002407400000000, -0.0001301100000000, -0.0001891300000000 ] - [ -0.0003992800000000, 0.0002086900000000, 0.0013493100000000 ] - [ 0.0004399000000000, 0.0000908400000000, 0.0002093100000000 ] - [ -0.0003688000000000, 0.0000556900000000, -0.0005872100000000 ] - [ -0.0002926700000000, -0.0001224300000000, -0.0004368400000000 ] - [ -0.0008667500000000, -0.0009482700000000, 0.0003293000000000 ] - [ -0.0004946400000000, -0.0000218800000000, 0.0003539100000000 ] - [ 0.0014154100000000, 0.0004923700000000, -0.0014940000000000 ] - [ 0.0000538400000000, 0.0009525000000000, -0.0006540400000000 ] - [ -0.0000490400000000, -0.0006129600000000, 0.0004804900000000 ] - [ 0.0003613500000000, -0.0006040800000000, 0.0002814200000000 ] - [ 0.0036348400000000, 0.0032691000000000, -0.0042521100000000 ] - [ 0.0001285100000000, -0.0002340700000000, 0.0007726300000000 ] - [ 0.0003647900000000, -0.0005477500000000, -0.0009008300000000 ] - [ 0.0002273600000000, 0.0002218900000000, 0.0003447800000000 ] - [ 0.0034585500000000, -0.0300914600000000, 0.0643116100000000 ] - [ 0.0001543000000000, -0.0001823900000000, 0.0003631800000000 ] - [ 0.0001036500000000, -0.0001372600000000, -0.0004775800000000 ] - [ -0.0000772500000000, 0.0001732000000000, 0.0002218300000000 ] - [ 0.0019061900000000, 0.0022443000000000, 0.0057091100000000 ] - [ -0.0001272800000000, 0.0006729300000000, -0.0003606400000000 ] - [ -0.0001489100000000, -0.0004469800000000, -0.0013739700000000 ] - [ -0.0003191600000000, -0.0006600500000000, -0.0005128200000000 ] - [ -0.0009738000000000, -0.0021624600000000, -0.0018471000000000 ] - [ -0.0006404200000000, -0.0003876600000000, 0.0003401900000000 ] - [ -0.0003098600000000, -0.0000349400000000, -0.0003619600000000 ] - [ -0.0003733500000000, -0.0004459200000000, -0.0000866700000000 ] - [ -0.0004615700000000, 0.0013911700000000, 0.0004680300000000 ] - [ -0.0007930900000000, 0.0003688400000000, 0.0003364900000000 ] - [ 0.0013619400000000, 0.0038498000000000, -0.0038969000000000 ] - [ -0.0005567900000000, 0.0004534000000000, -0.0000542500000000 ] - [ 0.0006206100000000, 0.0011863100000000, 0.0017258500000000 ] - [ -0.0003273500000000, -0.0001626300000000, 0.0009024500000000 ] - [ -0.0002623400000000, -0.0001450900000000, -0.0003801600000000 ] - [ -0.0003560600000000, 0.0000879300000000, 0.0006262100000000 ] - [ 0.0005585200000000, -0.0000969400000000, -0.0012159700000000 ] - [ -0.0007736500000000, -0.0001271300000000, -0.0019165900000000 ] - [ 0.0000357200000000, 0.0001895300000000, -0.0007936800000000 ] - [ 0.0009107300000000, -0.0000805100000000, -0.0009046900000000 ] - [ 0.0008434600000000, -0.0004945400000000, 0.0008893800000000 ] - [ 0.0009412700000000, -0.0005889800000000, 0.0006757000000000 ] - [ 0.0001108300000000, -0.0010566100000000, 0.0006122900000000 ] - [ 0.0004615400000000, -0.0003289800000000, -0.0000039700000000 ] - [ 0.0005401600000000, 0.0007282600000000, -0.0002894300000000 ] - [ 0.0005366800000000, 0.0006718600000000, -0.0001722000000000 ] - [ 0.0007839600000000, 0.0000773900000000, -0.0007386100000000 ] - [ 0.0007787700000000, 0.0001047900000000, -0.0006364200000000 ] - [ 0.0005663400000000, 0.0003078700000000, 0.0002281300000000 ] - [ -0.0000231200000000, 0.0004590200000000, 0.0006333800000000 ] - [ 0.0002190700000000, -0.0000247900000000, 0.0010620400000000 ] - [ 0.0002338400000000, -0.0006032000000000, 0.0003742200000000 ] - [ 0.0003781300000000, 0.0005231200000000, -0.0002112400000000 ] - [ -0.0001593300000000, 0.0000760900000000, -0.0001602600000000 ] - [ -0.0018330700000000, 0.0028736800000000, -0.0029792300000000 ] - [ 0.0001096000000000, 0.0001848000000000, -0.0004455600000000 ] - [ -0.0002734700000000, -0.0012544200000000, 0.0003817200000000 ] - [ -0.0003162000000000, -0.0001858200000000, -0.0004790800000000 ] - [ 0.0000852800000000, 0.0001968800000000, -0.0011173300000000 ] - [ -0.0001328900000000, 0.0002060700000000, -0.0007135100000000 ]- atom: 73 displacement: [ 0.0099872533903921, 0.0000000000000000, -0.0005047471803797 ] forces: - [ 0.0004314800000000, 0.0003178100000000, -0.0009002800000000 ] - [ -0.0002318400000000, 0.0001140100000000, -0.0008249400000000 ] - [ 0.0007115900000000, 0.0001435900000000, 0.0005584300000000 ] - [ -0.0003115300000000, -0.0001132800000000, -0.0007492400000000 ] - [ 0.0003249200000000, -0.0001000300000000, 0.0003921900000000 ] - [ -0.0003895300000000, 0.0002467300000000, 0.0005194400000000 ] - [ 0.0000708700000000, -0.0002696100000000, 0.0005511300000000 ] - [ -0.0002420500000000, -0.0002710200000000, 0.0003905000000000 ] - [ 0.0007483000000000, -0.0005277600000000, 0.0005307800000000 ] - [ 0.0003355300000000, -0.0005447200000000, 0.0002581400000000 ] - [ 0.0008913600000000, 0.0006076900000000, 0.0007080200000000 ] - [ 0.0002302000000000, 0.0005396800000000, 0.0003468600000000 ] - [ 0.0031291300000000, -0.0039997000000000, 0.0029782000000000 ] - [ -0.0005631600000000, -0.0005018300000000, -0.0000998400000000 ] - [ -0.0000996200000000, 0.0005207200000000, -0.0001017000000000 ] - [ -0.0004162400000000, 0.0005209800000000, -0.0002524700000000 ] - [ 0.0002738100000000, -0.0000411400000000, 0.0005808400000000 ] - [ -0.0000628100000000, 0.0000322400000000, 0.0008106000000000 ] - [ 0.0089355700000000, 0.0019090200000000, -0.0028750000000000 ] - [ -0.0005195500000000, -0.0002011700000000, 0.0007213500000000 ] - [ -0.0002724000000000, -0.0004697200000000, 0.0006486400000000 ] - [ -0.0009786000000000, -0.0001782400000000, 0.0002523000000000 ] - [ -0.0002709700000000, 0.0002122700000000, 0.0004694200000000 ] - [ -0.0004724200000000, 0.0002452200000000, 0.0004885500000000 ] - [ 0.0002595300000000, -0.0002110400000000, -0.0005022900000000 ] - [ 0.0004148700000000, -0.0000588700000000, -0.0005614000000000 ] - [ 0.0002860000000000, 0.0005654100000000, -0.0008432600000000 ] - [ 0.0004046700000000, 0.0000112500000000, -0.0003549100000000 ] - [ -0.0003900500000000, -0.0001978700000000, -0.0011247900000000 ] - [ -0.0002186100000000, 0.0005567000000000, -0.0004093600000000 ] - [ -0.0002387700000000, -0.0000373800000000, -0.0008200600000000 ] - [ -0.0001110300000000, -0.0000996300000000, -0.0008424700000000 ] - [ 0.0004041200000000, -0.0009042600000000, 0.0005953200000000 ] - [ 0.0000113600000000, -0.0005809600000000, 0.0000101000000000 ] - [ 0.0004444200000000, 0.0004458200000000, -0.0000932000000000 ] - [ 0.0001378600000000, 0.0006153500000000, 0.0002596700000000 ] - [ 0.0002219900000000, -0.0007201200000000, -0.0005909400000000 ] - [ -0.0007223300000000, -0.0006932100000000, -0.0002669400000000 ] - [ -0.0003773800000000, 0.0006162500000000, -0.0002567200000000 ] - [ -0.0005996700000000, 0.0006141000000000, -0.0003446400000000 ] - [ 0.0000881000000000, 0.0007676400000000, 0.0002604200000000 ] - [ -0.0000926200000000, 0.0001537500000000, -0.0009375800000000 ] - [ 0.0003499300000000, -0.0001542200000000, -0.0006953100000000 ] - [ -0.0000776300000000, -0.0003452300000000, -0.0003762000000000 ] - [ 0.0089855000000000, 0.0049611300000000, -0.0015497600000000 ] - [ -0.0004146400000000, 0.0004909700000000, 0.0009857600000000 ] - [ 0.0002150800000000, -0.0002139600000000, 0.0008442500000000 ] - [ -0.0000293100000000, -0.0002080800000000, 0.0007581900000000 ] - [ 0.0005573400000000, 0.0004904500000000, 0.0004689200000000 ] - [ -0.0005932200000000, 0.0005905700000000, 0.0002453100000000 ] - [ 0.0007466300000000, -0.0009660800000000, 0.0004076400000000 ] - [ -0.0008227800000000, -0.0006096600000000, 0.0002030600000000 ] - [ 0.0139160300000000, 0.0108249100000000, 0.0089339800000000 ] - [ -0.0003412400000000, -0.0001428600000000, 0.0001878600000000 ] - [ 0.0008040000000000, 0.0000554800000000, 0.0000433900000000 ] - [ -0.0004217400000000, 0.0001162000000000, -0.0002162300000000 ] - [ -0.0008522800000000, 0.0002195700000000, 0.0010386800000000 ] - [ -0.0003769100000000, 0.0000673200000000, -0.0001633600000000 ] - [ -0.0000247200000000, -0.0004769100000000, -0.0006103500000000 ] - [ -0.0003096800000000, 0.0001799500000000, 0.0001874500000000 ] - [ -0.0010559000000000, 0.0006012700000000, -0.0008062500000000 ] - [ -0.0003128000000000, -0.0006938600000000, 0.0000159900000000 ] - [ 0.0004342000000000, -0.0006376400000000, -0.0004838800000000 ] - [ 0.0001791700000000, -0.0007101700000000, -0.0007345900000000 ] - [ -0.0042482000000000, -0.0039956600000000, -0.0016839200000000 ] - [ 0.0008478500000000, -0.0001209500000000, 0.0005680900000000 ] - [ -0.0005377200000000, 0.0000779700000000, 0.0009300400000000 ] - [ 0.0008632900000000, 0.0002008300000000, 0.0004401100000000 ] - [ -0.0022859800000000, 0.0000748800000000, -0.0016266500000000 ] - [ 0.0006302000000000, 0.0000416100000000, 0.0003346600000000 ] - [ -0.0001738100000000, 0.0001205800000000, 0.0002424700000000 ] - [ 0.0004071400000000, 0.0002312700000000, 0.0005002900000000 ] - [ -0.0369266100000000, -0.0086891600000000, -0.0042075100000000 ] - [ 0.0005054200000000, 0.0006265200000000, -0.0004956200000000 ] - [ -0.0004224400000000, -0.0006175400000000, -0.0005066700000000 ] - [ 0.0002159200000000, -0.0007339400000000, -0.0002225400000000 ] - [ -0.0012270700000000, 0.0002593100000000, 0.0006059900000000 ] - [ -0.0005100200000000, -0.0003589100000000, 0.0003193400000000 ] - [ -0.0010372800000000, -0.0007804700000000, 0.0000844100000000 ] - [ -0.0002233100000000, -0.0004583600000000, -0.0001126600000000 ] - [ -0.0011328700000000, -0.0006950600000000, -0.0005932600000000 ] - [ -0.0003752100000000, 0.0004297600000000, 0.0004594300000000 ] - [ -0.0006789000000000, 0.0006003300000000, -0.0002954300000000 ] - [ -0.0001206700000000, 0.0003617500000000, 0.0000029900000000 ] - [ -0.0007290200000000, -0.0010375500000000, 0.0005884800000000 ] - [ 0.0003143200000000, -0.0001859200000000, 0.0009377400000000 ] - [ -0.0005163900000000, 0.0001140000000000, 0.0009252500000000 ] - [ -0.0000602300000000, 0.0000804100000000, 0.0009264500000000 ] - [ 0.0000411000000000, -0.0000572900000000, -0.0007202300000000 ] - [ 0.0007434500000000, -0.0000749600000000, -0.0001509600000000 ] - [ 0.0019012100000000, 0.0002897300000000, 0.0009922500000000 ] - [ 0.0007908300000000, 0.0003566000000000, -0.0015031000000000 ] - [ 0.0026039800000000, -0.0027153900000000, -0.0011961700000000 ] - [ 0.0005794100000000, -0.0000251900000000, 0.0001764400000000 ] - [ 0.0018815900000000, -0.0004279400000000, 0.0000629400000000 ] - [ 0.0046293700000000, 0.0000426900000000, -0.0006985700000000 ] - [ 0.0004584300000000, 0.0004623500000000, 0.0001714100000000 ] - [ 0.0003745500000000, 0.0003271500000000, 0.0001686200000000 ] - [ 0.0007276000000000, 0.0003938900000000, -0.0002841300000000 ] - [ 0.0006457700000000, 0.0005052400000000, -0.0003091700000000 ] - [ 0.0000234100000000, 0.0006007600000000, -0.0000481700000000 ] - [ 0.0003147200000000, 0.0006307100000000, 0.0005553500000000 ] - [ 0.0003524700000000, 0.0008657000000000, 0.0019607500000000 ] - [ 0.0002834600000000, -0.0008616300000000, 0.0002075600000000 ] - [ -0.0002832600000000, -0.0003799500000000, -0.0007544400000000 ] - [ 0.0000980500000000, -0.0002608000000000, -0.0001127000000000 ] - [ -0.0004286700000000, 0.0002321100000000, -0.0003772900000000 ] - [ 0.0001195300000000, 0.0003061400000000, -0.0003825100000000 ] - [ 0.0003902300000000, 0.0017197200000000, -0.0014785000000000 ] - [ 0.0001467500000000, -0.0003202300000000, -0.0005938900000000 ] - [ -0.0007910200000000, 0.0001672500000000, -0.0004234700000000 ] - [ 0.0000890900000000, 0.0002038300000000, -0.0006469500000000 ]- atom: 73 displacement: [ -0.0099872533903921, 0.0000000000000000, 0.0005047471803797 ] forces: - [ -0.0006311200000000, 0.0000338700000000, -0.0006456200000000 ] - [ 0.0000312900000000, 0.0002341000000000, -0.0007228500000000 ] - [ -0.0008788800000000, -0.0005030000000000, -0.0020528100000000 ] - [ 0.0001113400000000, -0.0002338900000000, -0.0007985800000000 ] - [ -0.0005767300000000, 0.0006082700000000, 0.0005577400000000 ] - [ 0.0001387700000000, 0.0002592300000000, 0.0004262500000000 ] - [ -0.0003243800000000, -0.0002370900000000, 0.0003931800000000 ] - [ -0.0000098700000000, -0.0002355700000000, 0.0005555900000000 ] - [ 0.0001973300000000, -0.0006646200000000, 0.0001024000000000 ] - [ 0.0006115800000000, -0.0006458300000000, 0.0003722500000000 ] - [ 0.0000533000000000, 0.0005850200000000, -0.0000823000000000 ] - [ 0.0007178600000000, 0.0006511300000000, 0.0002840900000000 ] - [ -0.0037594100000000, 0.0029650800000000, -0.0033205000000000 ] - [ -0.0000188500000000, -0.0005168300000000, -0.0002461000000000 ] - [ -0.0004837700000000, 0.0004963400000000, -0.0002429200000000 ] - [ -0.0001668700000000, 0.0004964800000000, -0.0000915100000000 ] - [ -0.0001154200000000, 0.0001466600000000, 0.0010802100000000 ] - [ 0.0002206000000000, 0.0000733100000000, 0.0008497700000000 ] - [ -0.0083661600000000, -0.0019214800000000, 0.0042463800000000 ] - [ 0.0006786500000000, 0.0001026700000000, 0.0009407200000000 ] - [ -0.0004817000000000, -0.0000082100000000, 0.0003534900000000 ] - [ 0.0002228600000000, -0.0002993800000000, 0.0007549100000000 ] - [ -0.0004885500000000, 0.0002652300000000, 0.0005361900000000 ] - [ -0.0002874600000000, 0.0002318600000000, 0.0005156300000000 ] - [ 0.0005000300000000, -0.0002649100000000, -0.0005027700000000 ] - [ 0.0003465600000000, -0.0004177600000000, -0.0004433500000000 ] - [ 0.0004738400000000, -0.0000934800000000, -0.0001587900000000 ] - [ 0.0003558300000000, 0.0004647700000000, -0.0006502200000000 ] - [ 0.0002325600000000, 0.0003027700000000, -0.0005317700000000 ] - [ 0.0000649500000000, -0.0004526500000000, -0.0012513000000000 ] - [ 0.0000798200000000, -0.0000670900000000, -0.0008404900000000 ] - [ -0.0000461700000000, -0.0000067600000000, -0.0008178000000000 ] - [ 0.0001722800000000, -0.0001095700000000, -0.0002559500000000 ] - [ 0.0005734800000000, -0.0004361000000000, 0.0003339100000000 ] - [ 0.0001357900000000, 0.0005757700000000, 0.0004395900000000 ] - [ 0.0004455100000000, 0.0004043000000000, 0.0000860800000000 ] - [ -0.0011771100000000, -0.0004728900000000, -0.0000390400000000 ] - [ -0.0002240300000000, -0.0004981100000000, -0.0003634100000000 ] - [ -0.0005699600000000, 0.0005747100000000, -0.0003741600000000 ] - [ -0.0003456200000000, 0.0005765700000000, -0.0002860800000000 ] - [ 0.0001614600000000, -0.0002653100000000, -0.0012098400000000 ] - [ 0.0003465400000000, 0.0003518400000000, -0.0000099200000000 ] - [ -0.0001004900000000, -0.0003536500000000, -0.0002484400000000 ] - [ 0.0003300400000000, -0.0001614600000000, -0.0005680700000000 ] - [ -0.0091660100000000, -0.0049186500000000, 0.0031452800000000 ] - [ 0.0006157600000000, -0.0001417500000000, 0.0005643800000000 ] - [ -0.0000146700000000, -0.0001347600000000, 0.0007027200000000 ] - [ 0.0002309500000000, -0.0001401000000000, 0.0007896200000000 ] - [ -0.0011882500000000, 0.0006788000000000, 0.0002581700000000 ] - [ -0.0000310100000000, 0.0005803500000000, 0.0004792800000000 ] - [ -0.0013876400000000, -0.0001988900000000, 0.0003218800000000 ] - [ 0.0001999800000000, -0.0005614000000000, 0.0005235400000000 ] - [ -0.0134856200000000, -0.0111412500000000, -0.0090286700000000 ] - [ 0.0008581900000000, -0.0000835100000000, -0.0001967400000000 ] - [ -0.0002884800000000, 0.0001707900000000, -0.0000476100000000 ] - [ 0.0009411900000000, 0.0001096900000000, 0.0002151400000000 ] - [ 0.0003338700000000, -0.0004458600000000, -0.0010366600000000 ] - [ -0.0001353700000000, -0.0002919200000000, 0.0001673500000000 ] - [ -0.0004862600000000, 0.0006996800000000, 0.0006182700000000 ] - [ -0.0002032200000000, 0.0000463400000000, -0.0001802900000000 ] - [ 0.0016746500000000, 0.0005789800000000, 0.0000786500000000 ] - [ 0.0009433100000000, 0.0018561200000000, -0.0007406200000000 ] - [ 0.0001878700000000, -0.0005338500000000, -0.0002410300000000 ] - [ 0.0004481700000000, -0.0004604400000000, 0.0000144400000000 ] - [ 0.0047416700000000, 0.0035662600000000, 0.0028533500000000 ] - [ -0.0003660700000000, -0.0003000600000000, 0.0005971900000000 ] - [ 0.0010258600000000, 0.0003444800000000, 0.0002337600000000 ] - [ -0.0003812000000000, 0.0002207100000000, 0.0007229400000000 ] - [ 0.0024597300000000, -0.0003404300000000, 0.0022244500000000 ] - [ -0.0004694900000000, -0.0002787200000000, 0.0002566300000000 ] - [ 0.0003371500000000, 0.0001155300000000, 0.0003480100000000 ] - [ -0.0002468400000000, 0.0000042800000000, 0.0000883400000000 ] - [ 0.0367313000000000, 0.0102352100000000, 0.0036082700000000 ] - [ -0.0007784300000000, 0.0006119500000000, -0.0003703400000000 ] - [ 0.0001516400000000, -0.0006195300000000, -0.0003611000000000 ] - [ -0.0004890400000000, -0.0005019900000000, -0.0006460700000000 ] - [ -0.0001931700000000, -0.0009328900000000, 0.0000768200000000 ] - [ -0.0009108000000000, -0.0003122700000000, 0.0003665100000000 ] - [ 0.0001972000000000, -0.0001509200000000, -0.0002768700000000 ] - [ -0.0006161200000000, -0.0004776800000000, -0.0000717300000000 ] - [ -0.0002766900000000, 0.0013788900000000, 0.0012868800000000 ] - [ -0.0010461000000000, 0.0002411200000000, 0.0002245200000000 ] - [ -0.0001588400000000, 0.0003351200000000, 0.0001111700000000 ] - [ -0.0007197600000000, 0.0005747300000000, -0.0001895500000000 ] - [ 0.0001678800000000, 0.0008641000000000, 0.0010394600000000 ] - [ -0.0008764100000000, 0.0000144700000000, 0.0006868700000000 ] - [ -0.0000434100000000, 0.0000600500000000, 0.0006989200000000 ] - [ -0.0004983400000000, 0.0000923000000000, 0.0006997200000000 ] - [ 0.0005216100000000, -0.0001158700000000, -0.0009045000000000 ] - [ -0.0001949000000000, -0.0000966000000000, -0.0014851400000000 ] - [ -0.0013605500000000, -0.0001220600000000, -0.0026433400000000 ] - [ -0.0002347400000000, -0.0001837200000000, -0.0001235500000000 ] - [ -0.0017869500000000, 0.0018118700000000, 0.0014037000000000 ] - [ 0.0002549400000000, -0.0009070500000000, 0.0000126200000000 ] - [ -0.0004763200000000, -0.0002419500000000, -0.0007539500000000 ] - [ -0.0031696400000000, -0.0007119400000000, 0.0000089800000000 ] - [ 0.0003830300000000, 0.0004737700000000, 0.0000128200000000 ] - [ 0.0004647300000000, 0.0006093200000000, 0.0000153000000000 ] - [ 0.0006945800000000, 0.0002773700000000, -0.0004007300000000 ] - [ 0.0007748500000000, 0.0001650200000000, -0.0003765600000000 ] - [ 0.0002509700000000, 0.0006343300000000, 0.0009169300000000 ] - [ -0.0000448100000000, 0.0006068200000000, 0.0003113500000000 ] - [ -0.0000785600000000, -0.0021009100000000, -0.0010903900000000 ] - [ -0.0000140400000000, -0.0003770300000000, 0.0006578200000000 ] - [ 0.0001227000000000, 0.0001447400000000, 0.0001646700000000 ] - [ -0.0002621300000000, 0.0000234600000000, -0.0004774500000000 ] - [ 0.0002671500000000, 0.0000055900000000, -0.0002157000000000 ] - [ -0.0002837400000000, -0.0000686700000000, -0.0002092700000000 ] - [ -0.0008671400000000, -0.0021439100000000, 0.0003139200000000 ] - [ -0.0006330200000000, -0.0001021500000000, -0.0005682300000000 ] - [ 0.0003079200000000, 0.0002547400000000, -0.0007413800000000 ] - [ -0.0005747900000000, 0.0002174200000000, -0.0005169700000000 ]- atom: 73 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0001602300000000, -0.0007180600000000, -0.0012581400000000 ] - [ -0.0001118500000000, 0.0001299800000000, -0.0007324900000000 ] - [ -0.0003499900000000, 0.0012614700000000, -0.0028942600000000 ] - [ -0.0000885300000000, -0.0000683900000000, -0.0007828200000000 ] - [ -0.0005423500000000, -0.0011783700000000, -0.0002378100000000 ] - [ -0.0001207000000000, 0.0001989500000000, 0.0004752800000000 ] - [ -0.0003282100000000, -0.0002266700000000, -0.0001338700000000 ] - [ -0.0001423700000000, -0.0001886000000000, 0.0004189000000000 ] - [ 0.0002715000000000, 0.0003966100000000, 0.0001895900000000 ] - [ 0.0004747100000000, -0.0005322300000000, 0.0003569400000000 ] - [ 0.0006011100000000, 0.0000260900000000, 0.0016476800000000 ] - [ 0.0004980300000000, 0.0005227200000000, 0.0003057100000000 ] - [ -0.0029669300000000, 0.0084315200000000, -0.0058678000000000 ] - [ -0.0003115700000000, -0.0004811800000000, -0.0001742100000000 ] - [ -0.0002400100000000, 0.0003564400000000, -0.0003844300000000 ] - [ -0.0003231000000000, 0.0004255700000000, -0.0002115600000000 ] - [ 0.0000944700000000, -0.0001332700000000, 0.0005286200000000 ] - [ 0.0000605700000000, -0.0000437500000000, 0.0008097900000000 ] - [ 0.0027194500000000, 0.0026768700000000, 0.0000828200000000 ] - [ 0.0000627500000000, 0.0000497500000000, 0.0007313300000000 ] - [ -0.0015664400000000, -0.0012400600000000, 0.0009636200000000 ] - [ -0.0002410800000000, -0.0003500500000000, 0.0005980600000000 ] - [ -0.0002680700000000, 0.0004042600000000, 0.0005982000000000 ] - [ -0.0003981400000000, 0.0003063100000000, 0.0005353800000000 ] - [ 0.0003309300000000, -0.0001045000000000, -0.0005090100000000 ] - [ 0.0005420400000000, 0.0001365500000000, -0.0004613100000000 ] - [ 0.0002918600000000, 0.0000944600000000, -0.0003135700000000 ] - [ 0.0005663500000000, 0.0000578300000000, -0.0003505200000000 ] - [ -0.0005280600000000, 0.0000922600000000, -0.0006349200000000 ] - [ 0.0006541600000000, 0.0001388400000000, -0.0007504800000000 ] - [ -0.0001827700000000, -0.0000941100000000, -0.0008283100000000 ] - [ -0.0001497700000000, -0.0002077700000000, -0.0008809700000000 ] - [ 0.0008809100000000, -0.0011495200000000, 0.0000212200000000 ] - [ 0.0000308800000000, -0.0006720100000000, 0.0002191100000000 ] - [ 0.0001576100000000, 0.0009515000000000, -0.0000088900000000 ] - [ 0.0004090300000000, 0.0006388900000000, 0.0000389300000000 ] - [ 0.0005065200000000, -0.0015618100000000, -0.0002998800000000 ] - [ -0.0004603600000000, -0.0007247400000000, -0.0002702400000000 ] - [ -0.0005091800000000, 0.0007274600000000, -0.0003851800000000 ] - [ -0.0004906700000000, 0.0006832600000000, -0.0002914500000000 ] - [ 0.0007402100000000, 0.0010993600000000, -0.0002742400000000 ] - [ -0.0000144300000000, 0.0004294700000000, -0.0002794700000000 ] - [ 0.0000517200000000, -0.0004192500000000, -0.0005142300000000 ] - [ 0.0001548100000000, -0.0003121200000000, -0.0006032800000000 ] - [ 0.0024756800000000, 0.0032027900000000, 0.0002965000000000 ] - [ 0.0001261000000000, 0.0001776900000000, 0.0008003200000000 ] - [ 0.0001316200000000, -0.0003745900000000, 0.0007547400000000 ] - [ 0.0000631300000000, -0.0002909900000000, 0.0007934400000000 ] - [ 0.0000222100000000, -0.0006017000000000, 0.0003673900000000 ] - [ -0.0003108100000000, 0.0005166500000000, 0.0003344700000000 ] - [ -0.0001626700000000, -0.0044070300000000, -0.0010053700000000 ] - [ -0.0002518700000000, -0.0006826700000000, 0.0003888300000000 ] - [ 0.0155255600000000, 0.0416815100000000, 0.0313511100000000 ] - [ 0.0003038200000000, -0.0000233600000000, 0.0001295900000000 ] - [ 0.0000351300000000, 0.0004499500000000, -0.0002100600000000 ] - [ 0.0002379000000000, 0.0001563500000000, -0.0000541900000000 ] - [ -0.0015886300000000, 0.0005575700000000, 0.0017540500000000 ] - [ 0.0001031500000000, -0.0001878300000000, 0.0003598400000000 ] - [ 0.0003341900000000, -0.0012935900000000, -0.0004125400000000 ] - [ 0.0000604200000000, -0.0000503400000000, -0.0001689200000000 ] - [ 0.0004140500000000, 0.0032429000000000, -0.0000369700000000 ] - [ 0.0000940800000000, 0.0010467300000000, -0.0003666900000000 ] - [ 0.0006698600000000, -0.0006267600000000, -0.0008300300000000 ] - [ 0.0004786300000000, -0.0006733100000000, -0.0010578200000000 ] - [ -0.0055610400000000, -0.0010406400000000, 0.0036817500000000 ] - [ 0.0003344600000000, -0.0002470200000000, 0.0004721100000000 ] - [ 0.0000546700000000, -0.0001127000000000, -0.0000290000000000 ] - [ 0.0002647900000000, 0.0001851900000000, 0.0007586700000000 ] - [ -0.0007479100000000, 0.0091503000000000, -0.0013846600000000 ] - [ -0.0000138700000000, -0.0000608900000000, 0.0002357200000000 ] - [ 0.0001205500000000, -0.0002693600000000, 0.0004732200000000 ] - [ 0.0001540200000000, -0.0001003400000000, 0.0002620600000000 ] - [ -0.0110909100000000, -0.0728589800000000, -0.0271949500000000 ] - [ -0.0001307100000000, 0.0004953500000000, -0.0004756200000000 ] - [ -0.0001146700000000, -0.0005018300000000, 0.0000077600000000 ] - [ -0.0000209200000000, -0.0004472200000000, -0.0004563200000000 ] - [ -0.0011150000000000, 0.0009436700000000, 0.0008675000000000 ] - [ -0.0007015600000000, -0.0002228300000000, 0.0003368300000000 ] - [ -0.0005461900000000, -0.0002315600000000, -0.0013132500000000 ] - [ -0.0003764900000000, -0.0005532500000000, -0.0001315500000000 ] - [ -0.0024839600000000, 0.0021952600000000, 0.0039076400000000 ] - [ -0.0005200200000000, 0.0002953900000000, 0.0003444700000000 ] - [ -0.0008180100000000, 0.0017215800000000, -0.0000206900000000 ] - [ -0.0004164400000000, 0.0006127800000000, -0.0001243800000000 ] - [ -0.0009877400000000, 0.0035364900000000, 0.0008786600000000 ] - [ -0.0002780800000000, -0.0000173500000000, 0.0007446600000000 ] - [ -0.0004118100000000, 0.0003850600000000, 0.0010846000000000 ] - [ -0.0001844600000000, 0.0000850900000000, 0.0009111100000000 ] - [ -0.0002176300000000, -0.0000856700000000, -0.0002971500000000 ] - [ 0.0014483400000000, -0.0002140700000000, 0.0005745100000000 ] - [ -0.0004235300000000, -0.0000412100000000, -0.0015982500000000 ] - [ 0.0003829600000000, 0.0000197500000000, -0.0009903700000000 ] - [ -0.0004657100000000, 0.0003467200000000, 0.0002757800000000 ] - [ 0.0009236600000000, -0.0002065500000000, -0.0002004400000000 ] - [ 0.0011110200000000, -0.0016733000000000, -0.0001977100000000 ] - [ 0.0005025600000000, -0.0011898600000000, -0.0003986400000000 ] - [ 0.0003312300000000, 0.0001465800000000, 0.0002715200000000 ] - [ 0.0001451200000000, 0.0000445600000000, 0.0002915300000000 ] - [ 0.0006309200000000, 0.0007460500000000, -0.0002752700000000 ] - [ 0.0005312100000000, 0.0006877800000000, -0.0002050000000000 ] - [ 0.0001289800000000, 0.0013317200000000, -0.0000150500000000 ] - [ 0.0001160700000000, 0.0008569500000000, 0.0002745200000000 ] - [ 0.0017470300000000, 0.0016456900000000, 0.0029987000000000 ] - [ -0.0001035100000000, -0.0006789800000000, 0.0004920600000000 ] - [ -0.0003833600000000, -0.0007432300000000, -0.0006325800000000 ] - [ -0.0001676200000000, -0.0003641300000000, -0.0004640600000000 ] - [ -0.0002009800000000, 0.0009704800000000, -0.0009018800000000 ] - [ -0.0001711400000000, 0.0002663500000000, -0.0003193100000000 ] - [ 0.0024451700000000, 0.0032499100000000, -0.0024897800000000 ] - [ -0.0003047800000000, -0.0001873500000000, -0.0006120500000000 ] - [ -0.0004145800000000, 0.0002493000000000, -0.0003046100000000 ] - [ -0.0003664500000000, 0.0002304000000000, -0.0004883700000000 ]- atom: 73 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0000400200000000, 0.0010669900000000, -0.0002932200000000 ] - [ -0.0000890000000000, 0.0002188600000000, -0.0008153100000000 ] - [ 0.0001509500000000, -0.0016443900000000, 0.0013656800000000 ] - [ -0.0001129500000000, -0.0002787800000000, -0.0007650700000000 ] - [ 0.0002882800000000, 0.0016869200000000, 0.0011776700000000 ] - [ -0.0001315500000000, 0.0003082600000000, 0.0004718900000000 ] - [ 0.0000784200000000, -0.0002796900000000, 0.0010797700000000 ] - [ -0.0001093200000000, -0.0003180700000000, 0.0005268400000000 ] - [ 0.0006745900000000, -0.0015854200000000, 0.0004392300000000 ] - [ 0.0004724200000000, -0.0006583200000000, 0.0002733800000000 ] - [ 0.0003492100000000, 0.0011728500000000, -0.0010174000000000 ] - [ 0.0004495700000000, 0.0006683800000000, 0.0003241400000000 ] - [ 0.0025461000000000, -0.0097940700000000, 0.0058545800000000 ] - [ -0.0002718300000000, -0.0005382900000000, -0.0001700700000000 ] - [ -0.0003418900000000, 0.0006614800000000, 0.0000420600000000 ] - [ -0.0002596600000000, 0.0005924000000000, -0.0001328700000000 ] - [ 0.0000631200000000, 0.0002386500000000, 0.0011291500000000 ] - [ 0.0000979000000000, 0.0001480300000000, 0.0008500300000000 ] - [ -0.0025525300000000, -0.0028011900000000, 0.0015907000000000 ] - [ 0.0000970700000000, -0.0001653800000000, 0.0009279000000000 ] - [ 0.0008004800000000, 0.0007667400000000, 0.0000410100000000 ] - [ -0.0005201100000000, -0.0001249500000000, 0.0004055800000000 ] - [ -0.0004914800000000, 0.0000718700000000, 0.0004067200000000 ] - [ -0.0003610400000000, 0.0001696900000000, 0.0004689500000000 ] - [ 0.0004297000000000, -0.0003708300000000, -0.0004963500000000 ] - [ 0.0002172800000000, -0.0006125500000000, -0.0005433700000000 ] - [ 0.0004681600000000, 0.0003827800000000, -0.0006922600000000 ] - [ 0.0001908600000000, 0.0004195400000000, -0.0006542900000000 ] - [ 0.0003712200000000, 0.0000089600000000, -0.0010264200000000 ] - [ -0.0008123100000000, -0.0000409800000000, -0.0009096900000000 ] - [ 0.0000257600000000, -0.0000108000000000, -0.0008329300000000 ] - [ -0.0000096100000000, 0.0001036900000000, -0.0007802800000000 ] - [ -0.0002951000000000, 0.0001312000000000, 0.0003259000000000 ] - [ 0.0005509000000000, -0.0003447500000000, 0.0001254800000000 ] - [ 0.0004224000000000, 0.0000652800000000, 0.0003517400000000 ] - [ 0.0001730100000000, 0.0003793900000000, 0.0003050800000000 ] - [ -0.0014425800000000, 0.0003730700000000, -0.0003275600000000 ] - [ -0.0004877400000000, -0.0004657900000000, -0.0003602700000000 ] - [ -0.0004385200000000, 0.0004624500000000, -0.0002465500000000 ] - [ -0.0004577500000000, 0.0005063600000000, -0.0003390000000000 ] - [ -0.0004890900000000, -0.0005925200000000, -0.0006664700000000 ] - [ 0.0002665000000000, 0.0000780100000000, -0.0006633100000000 ] - [ 0.0001981100000000, -0.0000840600000000, -0.0004330200000000 ] - [ 0.0000970300000000, -0.0001931800000000, -0.0003446500000000 ] - [ -0.0024425700000000, -0.0029370300000000, 0.0012667300000000 ] - [ 0.0000749300000000, 0.0001680300000000, 0.0007482200000000 ] - [ 0.0000681900000000, 0.0000269400000000, 0.0007921900000000 ] - [ 0.0001374200000000, -0.0000570200000000, 0.0007538500000000 ] - [ -0.0006469000000000, 0.0017686600000000, 0.0003546400000000 ] - [ -0.0003139100000000, 0.0006551200000000, 0.0003903500000000 ] - [ -0.0004807100000000, 0.0032481500000000, 0.0017600600000000 ] - [ -0.0003739300000000, -0.0004887200000000, 0.0003361100000000 ] - [ -0.0145807800000000, -0.0406196700000000, -0.0299566200000000 ] - [ 0.0002112400000000, -0.0002013700000000, -0.0001336100000000 ] - [ 0.0004886500000000, -0.0002247400000000, 0.0001965200000000 ] - [ 0.0002766300000000, 0.0000693800000000, 0.0000477600000000 ] - [ 0.0010819400000000, -0.0007884800000000, -0.0017557600000000 ] - [ -0.0006208100000000, -0.0000390300000000, -0.0003550100000000 ] - [ -0.0008502700000000, 0.0015183000000000, 0.0004135000000000 ] - [ -0.0005774300000000, 0.0002760200000000, 0.0001744300000000 ] - [ 0.0001634300000000, -0.0020538700000000, -0.0006907500000000 ] - [ 0.0005296800000000, 0.0001334700000000, -0.0003585100000000 ] - [ -0.0000455900000000, -0.0005443500000000, 0.0000981300000000 ] - [ 0.0001472400000000, -0.0004981300000000, 0.0003364900000000 ] - [ 0.0060136400000000, 0.0006160400000000, -0.0025007700000000 ] - [ 0.0001494200000000, -0.0001749600000000, 0.0006907200000000 ] - [ 0.0004268100000000, 0.0005283400000000, 0.0012068200000000 ] - [ 0.0002194900000000, 0.0002366000000000, 0.0004053800000000 ] - [ 0.0009112500000000, -0.0092457500000000, 0.0019989400000000 ] - [ 0.0001761800000000, -0.0001771700000000, 0.0003550200000000 ] - [ 0.0000423900000000, 0.0005094300000000, 0.0001209000000000 ] - [ 0.0000083000000000, 0.0003383800000000, 0.0003297300000000 ] - [ 0.0104698500000000, 0.0731314900000000, 0.0245069000000000 ] - [ -0.0001404300000000, 0.0007418500000000, -0.0003907000000000 ] - [ -0.0001566500000000, -0.0007383200000000, -0.0008710000000000 ] - [ -0.0002504400000000, -0.0007906900000000, -0.0004097200000000 ] - [ -0.0003069800000000, -0.0016107800000000, -0.0001772200000000 ] - [ -0.0007195800000000, -0.0004495100000000, 0.0003487400000000 ] - [ -0.0002917700000000, -0.0006974700000000, 0.0011233000000000 ] - [ -0.0004638600000000, -0.0003820700000000, -0.0000531000000000 ] - [ 0.0010807900000000, -0.0015024800000000, -0.0032486300000000 ] - [ -0.0009004000000000, 0.0003771900000000, 0.0003408500000000 ] - [ -0.0000143600000000, -0.0007918900000000, -0.0001702000000000 ] - [ -0.0004230100000000, 0.0003227400000000, -0.0000602900000000 ] - [ 0.0004465200000000, -0.0037270200000000, 0.0007499200000000 ] - [ -0.0002810100000000, -0.0001555200000000, 0.0008801200000000 ] - [ -0.0001478100000000, -0.0002103600000000, 0.0005412800000000 ] - [ -0.0003753700000000, 0.0000884200000000, 0.0007150600000000 ] - [ 0.0007748200000000, -0.0000872600000000, -0.0013262200000000 ] - [ -0.0008945600000000, 0.0000419500000000, -0.0022097800000000 ] - [ 0.0009865400000000, 0.0002153000000000, -0.0000275300000000 ] - [ 0.0001752800000000, 0.0001513500000000, -0.0006332400000000 ] - [ 0.0013101400000000, -0.0012891000000000, -0.0000920300000000 ] - [ -0.0000810200000000, -0.0007334600000000, 0.0003839600000000 ] - [ 0.0003169100000000, 0.0010015600000000, -0.0004843900000000 ] - [ 0.0009019300000000, 0.0005141600000000, -0.0002858600000000 ] - [ 0.0005083400000000, 0.0007897400000000, -0.0000847800000000 ] - [ 0.0006955100000000, 0.0008926900000000, -0.0001069700000000 ] - [ 0.0007897800000000, -0.0000749800000000, -0.0004066800000000 ] - [ 0.0008903400000000, -0.0000173200000000, -0.0004793200000000 ] - [ 0.0001406500000000, -0.0000970300000000, 0.0008857300000000 ] - [ 0.0001558000000000, 0.0003800700000000, 0.0005923000000000 ] - [ -0.0014831200000000, -0.0028797900000000, -0.0021371800000000 ] - [ 0.0003757100000000, -0.0005569500000000, 0.0003753800000000 ] - [ 0.0002216000000000, 0.0005098300000000, 0.0000438500000000 ] - [ 0.0000053800000000, 0.0001284400000000, -0.0001269600000000 ] - [ 0.0000374600000000, -0.0007372600000000, 0.0003104600000000 ] - [ 0.0000089300000000, -0.0000303200000000, -0.0002717300000000 ] - [ -0.0029543100000000, -0.0036787800000000, 0.0013430400000000 ] - [ -0.0001786500000000, -0.0002334500000000, -0.0005521800000000 ] - [ -0.0000710900000000, 0.0001730500000000, -0.0008584100000000 ] - [ -0.0001166800000000, 0.0001915700000000, -0.0006753100000000 ]- atom: 73 displacement: [ -0.0007714822112317, 0.0000000000000000, 0.0099701963470011 ] forces: - [ -0.0004469000000000, -0.0007236900000000, -0.0015312300000000 ] - [ -0.0001295500000000, 0.0001838400000000, -0.0007523300000000 ] - [ 0.0008475400000000, -0.0004542600000000, 0.0067954100000000 ] - [ -0.0000807600000000, -0.0000918700000000, -0.0007743400000000 ] - [ -0.0004174700000000, -0.0002571700000000, 0.0006999400000000 ] - [ -0.0001546800000000, 0.0002651900000000, 0.0005172200000000 ] - [ -0.0001980400000000, -0.0003694500000000, -0.0003527300000000 ] - [ -0.0001318900000000, -0.0002166500000000, 0.0004155100000000 ] - [ 0.0005374300000000, -0.0001367900000000, -0.0008644900000000 ] - [ 0.0004585100000000, -0.0006068200000000, 0.0003321400000000 ] - [ 0.0002422500000000, 0.0014062900000000, 0.0011389000000000 ] - [ 0.0004786500000000, 0.0005473100000000, 0.0003070600000000 ] - [ 0.0024737600000000, -0.0074284300000000, 0.0091041000000000 ] - [ -0.0002889800000000, -0.0005026900000000, -0.0001227100000000 ] - [ -0.0001139400000000, 0.0005223400000000, -0.0005129400000000 ] - [ -0.0003141900000000, 0.0004625900000000, -0.0002326600000000 ] - [ 0.0000916500000000, -0.0000544300000000, 0.0003048700000000 ] - [ 0.0000699300000000, -0.0000043700000000, 0.0007802700000000 ] - [ -0.0021455300000000, -0.0003382500000000, 0.0044782000000000 ] - [ 0.0001013000000000, -0.0000945300000000, 0.0009371200000000 ] - [ -0.0009145800000000, -0.0006607600000000, 0.0009210700000000 ] - [ -0.0004681200000000, -0.0002621600000000, 0.0004153400000000 ] - [ -0.0002320500000000, 0.0000510600000000, 0.0000239400000000 ] - [ -0.0003942300000000, 0.0002643700000000, 0.0005035100000000 ] - [ 0.0005191300000000, -0.0002766200000000, -0.0006150500000000 ] - [ 0.0000731600000000, -0.0001764000000000, -0.0005558900000000 ] - [ 0.0002728000000000, 0.0002256000000000, -0.0004776100000000 ] - [ 0.0006087200000000, 0.0003123800000000, -0.0003274400000000 ] - [ -0.0003459100000000, 0.0001455100000000, -0.0005086200000000 ] - [ 0.0006411800000000, -0.0001506600000000, -0.0005793700000000 ] - [ 0.0000455100000000, -0.0000273700000000, -0.0009945200000000 ] - [ -0.0003411500000000, -0.0000420200000000, -0.0009554000000000 ] - [ 0.0012884900000000, -0.0009546300000000, 0.0004625400000000 ] - [ -0.0000636600000000, -0.0006572600000000, 0.0003403800000000 ] - [ -0.0001212200000000, 0.0006153600000000, -0.0000404600000000 ] - [ 0.0005010400000000, 0.0004653300000000, -0.0001246500000000 ] - [ 0.0000330100000000, -0.0008314600000000, -0.0000904300000000 ] - [ -0.0004550800000000, -0.0006387200000000, -0.0002842100000000 ] - [ -0.0005611000000000, 0.0006062900000000, -0.0006502600000000 ] - [ -0.0005647100000000, 0.0006627200000000, -0.0003296400000000 ] - [ 0.0012413300000000, 0.0006106900000000, -0.0005711800000000 ] - [ -0.0001190300000000, 0.0004056600000000, -0.0001252800000000 ] - [ -0.0002638600000000, -0.0000975600000000, -0.0004752700000000 ] - [ 0.0002654800000000, -0.0001586500000000, -0.0007715200000000 ] - [ -0.0034863300000000, -0.0010573400000000, 0.0033361600000000 ] - [ 0.0002033400000000, 0.0001195300000000, 0.0007552700000000 ] - [ 0.0000578900000000, -0.0002064100000000, 0.0004628000000000 ] - [ 0.0000222400000000, -0.0002667300000000, 0.0007585000000000 ] - [ 0.0007134800000000, 0.0011224200000000, -0.0005496800000000 ] - [ -0.0003459100000000, 0.0005794600000000, 0.0002689200000000 ] - [ -0.0003903500000000, -0.0041704700000000, 0.0005588700000000 ] - [ -0.0002774100000000, -0.0006437900000000, 0.0004016200000000 ] - [ 0.0125842400000000, 0.0289575900000000, 0.0366547000000000 ] - [ 0.0002985400000000, -0.0001404200000000, 0.0001907900000000 ] - [ 0.0013832600000000, 0.0003294300000000, -0.0018322300000000 ] - [ 0.0000873000000000, 0.0001317000000000, -0.0002443400000000 ] - [ 0.0000198900000000, 0.0000426100000000, 0.0004424900000000 ] - [ -0.0002485400000000, -0.0001294100000000, 0.0004717500000000 ] - [ 0.0002523900000000, -0.0009695300000000, -0.0007879100000000 ] - [ -0.0000740400000000, -0.0000410000000000, -0.0003922900000000 ] - [ -0.0008599000000000, 0.0004035000000000, 0.0009748100000000 ] - [ 0.0007277600000000, 0.0010701200000000, 0.0001222700000000 ] - [ 0.0004595300000000, -0.0006084100000000, -0.0014845800000000 ] - [ 0.0002712200000000, -0.0007978900000000, -0.0010471800000000 ] - [ -0.0034034500000000, 0.0023647100000000, 0.0047116900000000 ] - [ 0.0003464800000000, -0.0002474900000000, 0.0003653500000000 ] - [ 0.0003818500000000, -0.0009116900000000, 0.0033334000000000 ] - [ 0.0002204600000000, 0.0001892200000000, 0.0008442600000000 ] - [ -0.0021679300000000, 0.0018714400000000, -0.0058799800000000 ] - [ 0.0000553800000000, -0.0000863400000000, 0.0002234100000000 ] - [ 0.0001000300000000, 0.0004050200000000, 0.0012367300000000 ] - [ 0.0002241400000000, 0.0000733100000000, 0.0003747500000000 ] - [ -0.0046793300000000, -0.0247395800000000, -0.0652901900000000 ] - [ -0.0002519900000000, 0.0005750800000000, -0.0004987500000000 ] - [ -0.0001263700000000, -0.0010531700000000, 0.0007482100000000 ] - [ 0.0000521300000000, -0.0005862500000000, -0.0003436900000000 ] - [ -0.0009154100000000, 0.0003961200000000, 0.0008629900000000 ] - [ -0.0007667500000000, -0.0003200400000000, 0.0003356900000000 ] - [ -0.0004954200000000, -0.0019303700000000, 0.0015892300000000 ] - [ -0.0004918400000000, -0.0005032100000000, -0.0000752500000000 ] - [ -0.0024667900000000, 0.0043162800000000, 0.0040801700000000 ] - [ -0.0005512500000000, 0.0003133000000000, 0.0003257700000000 ] - [ -0.0007353900000000, 0.0013431800000000, -0.0002067600000000 ] - [ -0.0003640600000000, 0.0005069600000000, -0.0000840900000000 ] - [ -0.0007722400000000, 0.0013712000000000, -0.0001688600000000 ] - [ -0.0002390600000000, -0.0001376200000000, 0.0007097900000000 ] - [ -0.0002923900000000, 0.0000126600000000, 0.0020899300000000 ] - [ -0.0002106200000000, 0.0000850700000000, 0.0009816400000000 ] - [ -0.0000012900000000, -0.0000479600000000, -0.0002991600000000 ] - [ 0.0013590000000000, -0.0001295500000000, 0.0002644600000000 ] - [ 0.0004849800000000, 0.0002190300000000, -0.0008942200000000 ] - [ -0.0008033200000000, -0.0002385300000000, -0.0006314800000000 ] - [ 0.0011430600000000, -0.0012556700000000, -0.0008342400000000 ] - [ 0.0008118000000000, -0.0005386600000000, -0.0004545900000000 ] - [ 0.0003826800000000, -0.0001621000000000, -0.0010645400000000 ] - [ 0.0000542700000000, -0.0004465800000000, -0.0010023200000000 ] - [ 0.0003536500000000, 0.0003097600000000, 0.0005432400000000 ] - [ 0.0003135300000000, 0.0002561000000000, 0.0004909100000000 ] - [ 0.0006907400000000, 0.0005484600000000, 0.0000734700000000 ] - [ 0.0005842700000000, 0.0005939200000000, -0.0000758100000000 ] - [ -0.0003328900000000, 0.0010700800000000, 0.0005264600000000 ] - [ 0.0002368800000000, 0.0007749200000000, 0.0002807300000000 ] - [ 0.0017415300000000, 0.0018129900000000, 0.0024784700000000 ] - [ -0.0000908700000000, -0.0005406500000000, 0.0006016300000000 ] - [ -0.0004897200000000, -0.0004572600000000, -0.0000952500000000 ] - [ 0.0000361000000000, -0.0003124300000000, -0.0005016200000000 ] - [ -0.0001761800000000, 0.0007192300000000, -0.0009247100000000 ] - [ -0.0001579200000000, 0.0000675100000000, -0.0002366200000000 ] - [ -0.0005080300000000, -0.0010841600000000, -0.0011703800000000 ] - [ -0.0001710800000000, -0.0001798800000000, -0.0007059100000000 ] - [ -0.0004932800000000, 0.0002317200000000, -0.0001066900000000 ] - [ -0.0003409400000000, 0.0002180900000000, -0.0004452800000000 ]- atom: 73 displacement: [ 0.0007714822112317, 0.0000000000000000, -0.0099701963470011 ] forces: - [ 0.0002450500000000, 0.0010705800000000, -0.0000167800000000 ] - [ -0.0000708400000000, 0.0001648000000000, -0.0007958400000000 ] - [ -0.0011914800000000, 0.0000272300000000, -0.0088632300000000 ] - [ -0.0001201900000000, -0.0002555800000000, -0.0007748900000000 ] - [ 0.0001690100000000, 0.0007607300000000, 0.0002484500000000 ] - [ -0.0000974400000000, 0.0002418200000000, 0.0004298400000000 ] - [ -0.0000544200000000, -0.0001368800000000, 0.0012957500000000 ] - [ -0.0001196800000000, -0.0002900400000000, 0.0005303500000000 ] - [ 0.0004093800000000, -0.0010538100000000, 0.0014929600000000 ] - [ 0.0004874300000000, -0.0005845600000000, 0.0002981700000000 ] - [ 0.0007049400000000, -0.0002163200000000, -0.0005110200000000 ] - [ 0.0004681200000000, 0.0006447700000000, 0.0003229100000000 ] - [ -0.0029554600000000, 0.0061894100000000, -0.0093419500000000 ] - [ -0.0002949100000000, -0.0005167200000000, -0.0002219200000000 ] - [ -0.0004694600000000, 0.0004959400000000, 0.0001688200000000 ] - [ -0.0002688100000000, 0.0005557900000000, -0.0001124000000000 ] - [ 0.0000640100000000, 0.0001602100000000, 0.0013549600000000 ] - [ 0.0000887800000000, 0.0001086000000000, 0.0008804100000000 ] - [ 0.0024831600000000, 0.0002612700000000, -0.0028921900000000 ] - [ 0.0000580900000000, -0.0000209900000000, 0.0007226600000000 ] - [ 0.0001565900000000, 0.0001779400000000, 0.0000805300000000 ] - [ -0.0002928800000000, -0.0002134400000000, 0.0005884100000000 ] - [ -0.0005281000000000, 0.0004245900000000, 0.0009805300000000 ] - [ -0.0003646500000000, 0.0002114400000000, 0.0005015700000000 ] - [ 0.0002401800000000, -0.0001985700000000, -0.0003891000000000 ] - [ 0.0006857200000000, -0.0003011500000000, -0.0004484700000000 ] - [ 0.0004882300000000, 0.0002507800000000, -0.0005286900000000 ] - [ 0.0001487800000000, 0.0001651800000000, -0.0006786100000000 ] - [ 0.0001903700000000, -0.0000466400000000, -0.0011546500000000 ] - [ -0.0007976700000000, 0.0002491900000000, -0.0010827700000000 ] - [ -0.0002039500000000, -0.0000787800000000, -0.0006650700000000 ] - [ 0.0001815100000000, -0.0000625300000000, -0.0007054500000000 ] - [ -0.0006996300000000, -0.0000645200000000, -0.0001128400000000 ] - [ 0.0006455600000000, -0.0003598700000000, 0.0000042900000000 ] - [ 0.0007082600000000, 0.0004026600000000, 0.0003846400000000 ] - [ 0.0000813500000000, 0.0005542400000000, 0.0004694200000000 ] - [ -0.0009786600000000, -0.0003619900000000, -0.0005452400000000 ] - [ -0.0004923400000000, -0.0005521500000000, -0.0003462000000000 ] - [ -0.0003843500000000, 0.0005851100000000, 0.0000215200000000 ] - [ -0.0003824700000000, 0.0005285800000000, -0.0003008300000000 ] - [ -0.0009900800000000, -0.0001045000000000, -0.0003719900000000 ] - [ 0.0003711600000000, 0.0001017300000000, -0.0008176900000000 ] - [ 0.0005196100000000, -0.0004086600000000, -0.0004748900000000 ] - [ -0.0000138500000000, -0.0003475900000000, -0.0001747600000000 ] - [ 0.0037029000000000, 0.0014184400000000, -0.0018364200000000 ] - [ -0.0000015700000000, 0.0002272800000000, 0.0007898600000000 ] - [ 0.0001440600000000, -0.0001423900000000, 0.0010862400000000 ] - [ 0.0001781200000000, -0.0000815800000000, 0.0007894900000000 ] - [ -0.0013276700000000, 0.0000515600000000, 0.0012787300000000 ] - [ -0.0002776000000000, 0.0005920100000000, 0.0004571000000000 ] - [ -0.0002488600000000, 0.0030147000000000, 0.0001677700000000 ] - [ -0.0003466400000000, -0.0005267700000000, 0.0003224300000000 ] - [ -0.0117988800000000, -0.0281332900000000, -0.0360303300000000 ] - [ 0.0002152100000000, -0.0000845800000000, -0.0001946000000000 ] - [ -0.0008792400000000, -0.0001026000000000, 0.0018330600000000 ] - [ 0.0004260300000000, 0.0000940500000000, 0.0002382700000000 ] - [ -0.0005434100000000, -0.0002643700000000, -0.0004221200000000 ] - [ -0.0002659100000000, -0.0000967700000000, -0.0004648200000000 ] - [ -0.0007727000000000, 0.0011977300000000, 0.0007920600000000 ] - [ -0.0004429300000000, 0.0002665100000000, 0.0003968000000000 ] - [ 0.0014840100000000, 0.0007628300000000, -0.0017039400000000 ] - [ -0.0001068800000000, 0.0001087400000000, -0.0008520300000000 ] - [ 0.0001706400000000, -0.0005617200000000, 0.0007624300000000 ] - [ 0.0003516300000000, -0.0003734700000000, 0.0003272600000000 ] - [ 0.0038853400000000, -0.0027271900000000, -0.0035056700000000 ] - [ 0.0001401700000000, -0.0001742800000000, 0.0007951700000000 ] - [ 0.0001012600000000, 0.0013391700000000, -0.0021938000000000 ] - [ 0.0002669600000000, 0.0002326600000000, 0.0003164100000000 ] - [ 0.0023085100000000, -0.0021094900000000, 0.0064515700000000 ] - [ 0.0001070900000000, -0.0001517300000000, 0.0003698500000000 ] - [ 0.0000627100000000, -0.0001694800000000, -0.0006455200000000 ] - [ -0.0000621800000000, 0.0001660200000000, 0.0002195300000000 ] - [ 0.0039995300000000, 0.0251435000000000, 0.0643777000000000 ] - [ -0.0000192900000000, 0.0006626400000000, -0.0003656800000000 ] - [ -0.0001432800000000, -0.0001824700000000, -0.0016153100000000 ] - [ -0.0003234600000000, -0.0006526200000000, -0.0005199600000000 ] - [ -0.0005079600000000, -0.0010627000000000, -0.0001787000000000 ] - [ -0.0006553100000000, -0.0003502800000000, 0.0003483500000000 ] - [ -0.0003452500000000, 0.0009777100000000, -0.0017670500000000 ] - [ -0.0003490700000000, -0.0004343000000000, -0.0001123400000000 ] - [ 0.0010659000000000, -0.0036651200000000, -0.0034290100000000 ] - [ -0.0008715500000000, 0.0003569900000000, 0.0003593400000000 ] - [ -0.0001003700000000, -0.0004083700000000, 0.0000212500000000 ] - [ -0.0004776900000000, 0.0004306600000000, -0.0001020200000000 ] - [ 0.0002101600000000, -0.0015326800000000, 0.0018039700000000 ] - [ -0.0003209500000000, -0.0000340300000000, 0.0009174400000000 ] - [ -0.0002689600000000, 0.0001583700000000, -0.0004603900000000 ] - [ -0.0003515500000000, 0.0000872900000000, 0.0006443800000000 ] - [ 0.0005608400000000, -0.0001245200000000, -0.0013307300000000 ] - [ -0.0008067600000000, -0.0000405900000000, -0.0019042800000000 ] - [ 0.0000850600000000, -0.0000462000000000, -0.0007229400000000 ] - [ 0.0013700600000000, 0.0004109300000000, -0.0009928200000000 ] - [ -0.0002965600000000, 0.0003141000000000, 0.0010176300000000 ] - [ 0.0000316600000000, -0.0003998500000000, 0.0006403300000000 ] - [ 0.0010414200000000, -0.0005106100000000, 0.0003809200000000 ] - [ 0.0013512400000000, -0.0002264500000000, 0.0003201400000000 ] - [ 0.0004856600000000, 0.0006270300000000, -0.0003574500000000 ] - [ 0.0005297700000000, 0.0006831000000000, -0.0003039800000000 ] - [ 0.0007294000000000, 0.0001227200000000, -0.0007591700000000 ] - [ 0.0008397200000000, 0.0000745300000000, -0.0006087900000000 ] - [ 0.0006015400000000, 0.0001749400000000, 0.0003319300000000 ] - [ 0.0000345100000000, 0.0004633100000000, 0.0005833400000000 ] - [ -0.0014801100000000, -0.0030605300000000, -0.0016242400000000 ] - [ 0.0003626200000000, -0.0006960500000000, 0.0002642000000000 ] - [ 0.0003247200000000, 0.0002171300000000, -0.0005024300000000 ] - [ -0.0001983600000000, 0.0000757100000000, -0.0000923900000000 ] - [ 0.0000131700000000, -0.0004832800000000, 0.0003337800000000 ] - [ -0.0000041700000000, 0.0001696500000000, -0.0003565600000000 ] - [ 0.0000424700000000, 0.0006773800000000, -0.0000065500000000 ] - [ -0.0003155700000000, -0.0002412200000000, -0.0004559100000000 ] - [ 0.0000074100000000, 0.0001908300000000, -0.0010534600000000 ] - [ -0.0001448200000000, 0.0002040500000000, -0.0007160700000000 ]- atom: 77 displacement: [ 0.0099872533903921, 0.0000000000000000, -0.0005047471803797 ] forces: - [ 0.0101997000000000, 0.0039012700000000, -0.0024432300000000 ] - [ -0.0006157700000000, 0.0005607800000000, -0.0008023000000000 ] - [ 0.0000396700000000, -0.0003001500000000, -0.0006388100000000 ] - [ -0.0001380600000000, -0.0000924100000000, -0.0007912000000000 ] - [ 0.0038416000000000, -0.0018384700000000, 0.0064177000000000 ] - [ -0.0004018000000000, 0.0003481100000000, 0.0004866900000000 ] - [ 0.0002227700000000, -0.0003111700000000, 0.0007165400000000 ] - [ -0.0002164400000000, -0.0002231500000000, 0.0004380900000000 ] - [ 0.0008093400000000, -0.0001767000000000, 0.0003057800000000 ] - [ 0.0002459800000000, -0.0006046900000000, 0.0002996200000000 ] - [ 0.0005571000000000, 0.0006790300000000, 0.0003797000000000 ] - [ 0.0004170300000000, 0.0005310600000000, 0.0002945100000000 ] - [ -0.0000081600000000, -0.0006167300000000, -0.0004730500000000 ] - [ -0.0005636800000000, -0.0005911100000000, -0.0001702100000000 ] - [ -0.0000413700000000, 0.0005522600000000, -0.0000277300000000 ] - [ -0.0004019600000000, 0.0004720800000000, -0.0002183700000000 ] - [ 0.0016292100000000, 0.0009110300000000, 0.0004468400000000 ] - [ -0.0002355100000000, 0.0001144300000000, 0.0008601600000000 ] - [ 0.0002721300000000, -0.0000495700000000, 0.0008731900000000 ] - [ -0.0001512100000000, -0.0000793500000000, 0.0008089700000000 ] - [ -0.0001789800000000, -0.0001643300000000, 0.0009887300000000 ] - [ -0.0005414000000000, -0.0002251000000000, 0.0004916700000000 ] - [ -0.0000720900000000, 0.0002878000000000, 0.0006954500000000 ] - [ -0.0005901900000000, 0.0001984600000000, 0.0004879100000000 ] - [ -0.0001412000000000, -0.0001725700000000, -0.0003467900000000 ] - [ 0.0009351300000000, 0.0000514000000000, -0.0002672500000000 ] - [ 0.0002532900000000, 0.0002697200000000, -0.0005524600000000 ] - [ 0.0004739000000000, 0.0001760500000000, -0.0004083000000000 ] - [ -0.0003026800000000, 0.0000277900000000, -0.0009084000000000 ] - [ -0.0000507600000000, 0.0000328100000000, -0.0007151700000000 ] - [ -0.0006512000000000, -0.0000223900000000, -0.0006105600000000 ] - [ 0.0053660600000000, 0.0012154600000000, 0.0026895400000000 ] - [ 0.0000438900000000, -0.0008120700000000, -0.0000226000000000 ] - [ -0.0004395000000000, 0.0002544000000000, 0.0006388700000000 ] - [ 0.0001924500000000, 0.0005005100000000, 0.0002138100000000 ] - [ 0.0003059100000000, 0.0005520200000000, 0.0000609000000000 ] - [ -0.0005058500000000, -0.0008580900000000, -0.0006052500000000 ] - [ -0.0005276000000000, -0.0005038400000000, -0.0001448600000000 ] - [ -0.0007733700000000, 0.0009129200000000, 0.0001679600000000 ] - [ -0.0005312300000000, 0.0006039300000000, -0.0004837300000000 ] - [ 0.0000217400000000, 0.0006362800000000, -0.0007068100000000 ] - [ 0.0000833100000000, 0.0002841700000000, -0.0002142900000000 ] - [ 0.0000508500000000, -0.0002437300000000, -0.0004245900000000 ] - [ 0.0001012100000000, -0.0002099700000000, -0.0009132600000000 ] - [ 0.0002157800000000, 0.0005237900000000, 0.0005165100000000 ] - [ 0.0000936200000000, 0.0000360200000000, 0.0009291300000000 ] - [ -0.0000014400000000, -0.0004435400000000, 0.0011670800000000 ] - [ -0.0003170800000000, -0.0002124600000000, 0.0003811100000000 ] - [ 0.0307560400000000, -0.0259362700000000, -0.0173129600000000 ] - [ -0.0013023700000000, 0.0003248000000000, 0.0001894300000000 ] - [ 0.0003721800000000, -0.0004284100000000, 0.0008403400000000 ] - [ -0.0004613800000000, -0.0005599800000000, 0.0003305100000000 ] - [ 0.0021305100000000, 0.0005363800000000, 0.0004579200000000 ] - [ -0.0001630700000000, -0.0001323700000000, 0.0001134100000000 ] - [ 0.0007690100000000, -0.0003801400000000, 0.0003652500000000 ] - [ 0.0000222500000000, 0.0001859600000000, -0.0001014900000000 ] - [ -0.0013465800000000, -0.0002335900000000, -0.0009358500000000 ] - [ -0.0016358100000000, -0.0020712400000000, 0.0011275300000000 ] - [ -0.0009721600000000, 0.0001043100000000, 0.0002115600000000 ] - [ 0.0001560100000000, -0.0000304600000000, -0.0000379300000000 ] - [ 0.0005230500000000, 0.0006180100000000, -0.0005423400000000 ] - [ 0.0000727600000000, 0.0008697000000000, -0.0001573900000000 ] - [ 0.0001484300000000, -0.0006035100000000, -0.0002425600000000 ] - [ -0.0004024100000000, 0.0004517400000000, -0.0006520600000000 ] - [ -0.0003027400000000, 0.0004696000000000, 0.0010827800000000 ] - [ 0.0007233400000000, -0.0003211200000000, 0.0003194100000000 ] - [ 0.0003609900000000, 0.0003510200000000, 0.0002578700000000 ] - [ 0.0004764900000000, 0.0001229700000000, 0.0007069400000000 ] - [ -0.0005892600000000, 0.0000534200000000, 0.0004037000000000 ] - [ 0.0002380800000000, -0.0001325400000000, 0.0002369100000000 ] - [ -0.0001932500000000, -0.0001472400000000, 0.0000353100000000 ] - [ 0.0003242300000000, 0.0001203500000000, 0.0003964000000000 ] - [ -0.0006798600000000, 0.0001897500000000, -0.0007061600000000 ] - [ 0.0000647600000000, 0.0006290000000000, -0.0004733600000000 ] - [ -0.0006142600000000, 0.0013439100000000, -0.0024387800000000 ] - [ 0.0002045200000000, -0.0008101400000000, -0.0002450400000000 ] - [ -0.0500101800000000, 0.0217585500000000, 0.0058125100000000 ] - [ -0.0001328500000000, -0.0003982000000000, 0.0003734800000000 ] - [ -0.0051085400000000, -0.0008829500000000, 0.0024514000000000 ] - [ 0.0001782500000000, -0.0001278800000000, -0.0002059400000000 ] - [ -0.0009049000000000, 0.0005227100000000, 0.0000815100000000 ] - [ -0.0005612400000000, 0.0003154500000000, 0.0003816500000000 ] - [ -0.0006286400000000, 0.0003889200000000, -0.0002383000000000 ] - [ -0.0002514100000000, 0.0004625000000000, -0.0000676700000000 ] - [ -0.0010610100000000, 0.0001437000000000, -0.0000554300000000 ] - [ 0.0001116000000000, -0.0000801800000000, 0.0008504600000000 ] - [ -0.0053972800000000, 0.0027537300000000, 0.0018025900000000 ] - [ 0.0002462600000000, 0.0000485600000000, 0.0010764900000000 ] - [ 0.0006166600000000, -0.0002326200000000, -0.0008449200000000 ] - [ 0.0010849300000000, -0.0018610600000000, -0.0008796000000000 ] - [ 0.0004366000000000, 0.0000816100000000, -0.0007086200000000 ] - [ 0.0000782700000000, 0.0000333200000000, -0.0009719300000000 ] - [ 0.0005532900000000, -0.0003403800000000, 0.0002534000000000 ] - [ 0.0006536200000000, -0.0008811600000000, -0.0004172700000000 ] - [ 0.0008120800000000, -0.0005725700000000, -0.0001027500000000 ] - [ 0.0006398800000000, -0.0003234600000000, -0.0004510100000000 ] - [ 0.0006791200000000, 0.0004462400000000, -0.0000476400000000 ] - [ 0.0001254600000000, 0.0000751900000000, 0.0003276100000000 ] - [ 0.0009582100000000, 0.0003981300000000, -0.0004831300000000 ] - [ 0.0018684500000000, -0.0008020800000000, 0.0013008800000000 ] - [ 0.0012761200000000, 0.0002325500000000, 0.0002320800000000 ] - [ 0.0040568200000000, 0.0008136800000000, 0.0001221600000000 ] - [ 0.0001464200000000, -0.0007018000000000, 0.0003934200000000 ] - [ 0.0000608600000000, -0.0008054000000000, 0.0002861700000000 ] - [ 0.0017403100000000, -0.0011189300000000, 0.0004956200000000 ] - [ 0.0001316800000000, 0.0002156500000000, -0.0000103200000000 ] - [ -0.0000488100000000, 0.0002030800000000, -0.0003860900000000 ] - [ -0.0001537300000000, 0.0004111200000000, -0.0003825900000000 ] - [ 0.0003439200000000, -0.0010730800000000, 0.0005787600000000 ] - [ 0.0006744300000000, -0.0001147500000000, -0.0010037900000000 ] - [ 0.0003670800000000, 0.0002242500000000, -0.0013691800000000 ] - [ -0.0002343700000000, 0.0003216000000000, -0.0002906000000000 ]- atom: 77 displacement: [ -0.0099872533903921, 0.0000000000000000, 0.0005047471803797 ] forces: - [ -0.0108649000000000, -0.0037997500000000, 0.0010237700000000 ] - [ 0.0004133300000000, -0.0002090000000000, -0.0007452500000000 ] - [ -0.0002409700000000, -0.0000484400000000, -0.0009079900000000 ] - [ -0.0000626300000000, -0.0002547600000000, -0.0007561500000000 ] - [ -0.0040368900000000, 0.0023518100000000, -0.0054699000000000 ] - [ 0.0001486900000000, 0.0001589100000000, 0.0004594900000000 ] - [ -0.0004789400000000, -0.0001956000000000, 0.0002276100000000 ] - [ -0.0000358700000000, -0.0002841100000000, 0.0005074800000000 ] - [ 0.0001361900000000, -0.0010191100000000, 0.0003282800000000 ] - [ 0.0006994400000000, -0.0005868100000000, 0.0003311700000000 ] - [ 0.0003889600000000, 0.0005133600000000, 0.0002496300000000 ] - [ 0.0005291600000000, 0.0006603800000000, 0.0003366100000000 ] - [ -0.0005747300000000, -0.0004006200000000, 0.0001267400000000 ] - [ -0.0000205000000000, -0.0004291400000000, -0.0001741100000000 ] - [ -0.0005411500000000, 0.0004663200000000, -0.0003149500000000 ] - [ -0.0001812700000000, 0.0005454600000000, -0.0001263300000000 ] - [ -0.0014574100000000, -0.0007946200000000, 0.0011895300000000 ] - [ 0.0003923500000000, -0.0000120100000000, 0.0007997500000000 ] - [ -0.0001131800000000, -0.0000503400000000, 0.0007871000000000 ] - [ 0.0003074200000000, -0.0000215300000000, 0.0008509600000000 ] - [ -0.0005771300000000, -0.0003125800000000, 0.0000169200000000 ] - [ -0.0002186700000000, -0.0002508800000000, 0.0005124800000000 ] - [ -0.0006883600000000, 0.0001895500000000, 0.0003077600000000 ] - [ -0.0001699800000000, 0.0002769900000000, 0.0005162800000000 ] - [ 0.0008986700000000, -0.0003035100000000, -0.0006587400000000 ] - [ -0.0001715200000000, -0.0005273400000000, -0.0007387700000000 ] - [ 0.0005055900000000, 0.0002068700000000, -0.0004519300000000 ] - [ 0.0002866600000000, 0.0002999100000000, -0.0005955100000000 ] - [ 0.0001423800000000, 0.0000833600000000, -0.0007518900000000 ] - [ -0.0001059000000000, 0.0000743300000000, -0.0009445700000000 ] - [ 0.0004939700000000, -0.0000789000000000, -0.0010517600000000 ] - [ -0.0052936400000000, -0.0012226200000000, -0.0040945200000000 ] - [ 0.0005377000000000, -0.0002029000000000, 0.0003683800000000 ] - [ 0.0010201100000000, -0.0012701400000000, -0.0002947800000000 ] - [ 0.0003892400000000, 0.0005180400000000, 0.0001305400000000 ] - [ 0.0002772100000000, 0.0004672100000000, 0.0002835300000000 ] - [ -0.0004418400000000, -0.0003325700000000, -0.0000255100000000 ] - [ -0.0004182800000000, -0.0006879400000000, -0.0004853300000000 ] - [ -0.0001717000000000, 0.0002749600000000, -0.0008004800000000 ] - [ -0.0004154800000000, 0.0005861800000000, -0.0001482400000000 ] - [ 0.0002266100000000, -0.0001303500000000, -0.0002382100000000 ] - [ 0.0001685300000000, 0.0002216800000000, -0.0007293400000000 ] - [ 0.0002002000000000, -0.0002628300000000, -0.0005224900000000 ] - [ 0.0001512200000000, -0.0002970600000000, -0.0000331200000000 ] - [ -0.0000153100000000, -0.0001773800000000, 0.0010308200000000 ] - [ 0.0001071500000000, 0.0003109500000000, 0.0006184900000000 ] - [ 0.0001992100000000, 0.0000970900000000, 0.0003775100000000 ] - [ 0.0005166000000000, -0.0001361600000000, 0.0011639600000000 ] - [ -0.0315176000000000, 0.0277043100000000, 0.0183493000000000 ] - [ 0.0006687800000000, 0.0008425500000000, 0.0005320300000000 ] - [ -0.0010027300000000, -0.0007431300000000, -0.0001175200000000 ] - [ -0.0001663800000000, -0.0006120100000000, 0.0003928900000000 ] - [ -0.0015968700000000, -0.0007734000000000, -0.0004706900000000 ] - [ 0.0006759300000000, -0.0000922100000000, -0.0001182300000000 ] - [ -0.0002489400000000, 0.0005923000000000, -0.0003643200000000 ] - [ 0.0004914400000000, 0.0000389400000000, 0.0000953000000000 ] - [ 0.0008341600000000, -0.0000007300000000, 0.0009412100000000 ] - [ 0.0011091500000000, 0.0018406400000000, -0.0011176400000000 ] - [ 0.0004561600000000, 0.0001204100000000, -0.0002057500000000 ] - [ -0.0006694400000000, 0.0002543700000000, 0.0000419500000000 ] - [ 0.0001004900000000, 0.0005533700000000, -0.0001830000000000 ] - [ 0.0005546100000000, 0.0003032200000000, -0.0005647600000000 ] - [ 0.0004747800000000, -0.0005686000000000, -0.0004807900000000 ] - [ 0.0010273700000000, -0.0016216100000000, -0.0000743600000000 ] - [ 0.0007975600000000, -0.0008779800000000, 0.0000875800000000 ] - [ -0.0002384200000000, -0.0001010000000000, 0.0008429000000000 ] - [ 0.0001245100000000, 0.0000729000000000, 0.0009030500000000 ] - [ 0.0000078400000000, 0.0002979600000000, 0.0004568700000000 ] - [ 0.0007526400000000, -0.0002854900000000, 0.0001981900000000 ] - [ -0.0000749700000000, -0.0001048500000000, 0.0003536600000000 ] - [ 0.0003586700000000, 0.0003882800000000, 0.0005579600000000 ] - [ -0.0001610500000000, 0.0001166700000000, 0.0001951100000000 ] - [ 0.0004069900000000, 0.0010476800000000, -0.0001610500000000 ] - [ -0.0003353100000000, 0.0006087400000000, -0.0003931900000000 ] - [ 0.0003478100000000, -0.0025761100000000, 0.0015543600000000 ] - [ -0.0004744700000000, -0.0004288400000000, -0.0006200400000000 ] - [ 0.0488046900000000, -0.0228418400000000, -0.0057733300000000 ] - [ -0.0012872700000000, -0.0002745400000000, 0.0003122400000000 ] - [ 0.0042797900000000, -0.0000602900000000, -0.0026539100000000 ] - [ -0.0010154300000000, -0.0008043100000000, 0.0000199500000000 ] - [ -0.0005160100000000, 0.0001486500000000, 0.0006024800000000 ] - [ -0.0008592800000000, 0.0003564900000000, 0.0003037000000000 ] - [ -0.0002117500000000, 0.0005454400000000, 0.0000526300000000 ] - [ -0.0005876300000000, 0.0004721000000000, -0.0001175000000000 ] - [ 0.0004983500000000, -0.0003183500000000, 0.0016832400000000 ] - [ -0.0006707900000000, -0.0000928600000000, 0.0007736800000000 ] - [ 0.0048592700000000, -0.0026130700000000, -0.0001896500000000 ] - [ -0.0008041500000000, 0.0001242900000000, 0.0005512400000000 ] - [ -0.0000535700000000, 0.0000588200000000, -0.0007795600000000 ] - [ -0.0005166600000000, 0.0016733000000000, -0.0007413400000000 ] - [ 0.0001257100000000, 0.0000911900000000, -0.0009152000000000 ] - [ 0.0004805400000000, 0.0001396800000000, -0.0006537700000000 ] - [ 0.0002880100000000, -0.0005957500000000, -0.0000676200000000 ] - [ 0.0001863800000000, -0.0000560700000000, 0.0006003200000000 ] - [ 0.0006110200000000, -0.0000980200000000, -0.0005817700000000 ] - [ 0.0007803100000000, -0.0003487500000000, -0.0002349900000000 ] - [ 0.0001622200000000, 0.0004895900000000, 0.0002326500000000 ] - [ 0.0007118900000000, 0.0008576400000000, -0.0001410400000000 ] - [ 0.0004651500000000, 0.0002721600000000, -0.0002011100000000 ] - [ -0.0004470300000000, 0.0014711300000000, -0.0019790200000000 ] - [ -0.0010180900000000, 0.0010094800000000, 0.0006412700000000 ] - [ -0.0037446100000000, 0.0004189700000000, 0.0007505000000000 ] - [ 0.0001250000000000, -0.0005349800000000, 0.0004726200000000 ] - [ 0.0002096500000000, -0.0004315500000000, 0.0005805800000000 ] - [ -0.0018974600000000, 0.0008833600000000, -0.0010860600000000 ] - [ -0.0002932500000000, -0.0004516800000000, -0.0005785600000000 ] - [ -0.0001132100000000, 0.0000318800000000, -0.0002039600000000 ] - [ -0.0000096400000000, -0.0001748400000000, -0.0002079000000000 ] - [ -0.0008340200000000, 0.0006631000000000, -0.0017574400000000 ] - [ -0.0011527300000000, -0.0003071700000000, -0.0001615000000000 ] - [ -0.0008489800000000, 0.0001961000000000, 0.0002036600000000 ] - [ -0.0002495000000000, 0.0001000200000000, -0.0008714800000000 ]- atom: 77 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0010047000000000, 0.0035380100000000, -0.0009550100000000 ] - [ -0.0000572300000000, 0.0001950200000000, -0.0008084100000000 ] - [ -0.0000682700000000, -0.0003642100000000, -0.0010136800000000 ] - [ -0.0001449400000000, -0.0002533200000000, -0.0007700000000000 ] - [ -0.0028188100000000, 0.0041068800000000, -0.0060972200000000 ] - [ -0.0001389300000000, 0.0003275400000000, 0.0004731600000000 ] - [ 0.0005888400000000, -0.0008607600000000, -0.0000088000000000 ] - [ -0.0001450300000000, -0.0003225200000000, 0.0004775700000000 ] - [ 0.0015886900000000, -0.0017275500000000, 0.0001932700000000 ] - [ 0.0004795600000000, -0.0006971500000000, 0.0002879700000000 ] - [ 0.0004402300000000, 0.0008132100000000, -0.0000265800000000 ] - [ 0.0004385000000000, 0.0006576800000000, 0.0003277400000000 ] - [ 0.0000030600000000, -0.0009256100000000, 0.0012645300000000 ] - [ -0.0003133000000000, -0.0005839300000000, -0.0001444200000000 ] - [ 0.0001963200000000, 0.0016775100000000, -0.0004266200000000 ] - [ -0.0003064700000000, 0.0005844500000000, -0.0001545600000000 ] - [ 0.0002141800000000, 0.0043759000000000, -0.0024611100000000 ] - [ 0.0001219800000000, 0.0000759500000000, 0.0007820900000000 ] - [ 0.0001941600000000, -0.0002098300000000, 0.0006944200000000 ] - [ 0.0000589600000000, -0.0000821900000000, 0.0008132900000000 ] - [ -0.0001722000000000, 0.0000717200000000, -0.0000453100000000 ] - [ -0.0004062300000000, -0.0001800900000000, 0.0004834000000000 ] - [ -0.0005063600000000, -0.0006775000000000, -0.0003359900000000 ] - [ -0.0003503900000000, 0.0002159400000000, 0.0004505700000000 ] - [ 0.0007101600000000, -0.0004229300000000, -0.0007520900000000 ] - [ -0.0008521500000000, -0.0012008000000000, -0.0006452300000000 ] - [ 0.0004121800000000, 0.0002989600000000, -0.0005342900000000 ] - [ 0.0003677600000000, 0.0003535200000000, -0.0006087600000000 ] - [ -0.0000222400000000, -0.0000281400000000, -0.0008393600000000 ] - [ -0.0001139800000000, -0.0000504800000000, -0.0009066600000000 ] - [ 0.0000118500000000, -0.0000056200000000, -0.0008787100000000 ] - [ 0.0031610200000000, 0.0035852700000000, 0.0021236000000000 ] - [ -0.0000793400000000, -0.0002216200000000, 0.0002918600000000 ] - [ 0.0014728700000000, -0.0008244900000000, -0.0000649600000000 ] - [ 0.0002063600000000, 0.0003914000000000, 0.0001297700000000 ] - [ 0.0003188200000000, 0.0003933700000000, 0.0001709200000000 ] - [ -0.0007428700000000, -0.0001452400000000, -0.0003431200000000 ] - [ -0.0003945800000000, -0.0004786500000000, -0.0003583700000000 ] - [ -0.0002074600000000, 0.0002375700000000, -0.0006951000000000 ] - [ -0.0006111200000000, 0.0004723300000000, -0.0003378100000000 ] - [ -0.0003658900000000, -0.0003787300000000, -0.0001126200000000 ] - [ 0.0002941100000000, -0.0000016400000000, -0.0007097400000000 ] - [ 0.0000268000000000, -0.0001493300000000, -0.0004571300000000 ] - [ 0.0001687900000000, -0.0002599800000000, -0.0001614300000000 ] - [ -0.0000984800000000, -0.0002131800000000, 0.0008844000000000 ] - [ 0.0001221200000000, 0.0000967400000000, 0.0007262200000000 ] - [ -0.0000289000000000, 0.0004368400000000, 0.0005408300000000 ] - [ 0.0002370600000000, 0.0000308200000000, 0.0007312200000000 ] - [ -0.0256040400000000, 0.0424233800000000, 0.0219942100000000 ] - [ -0.0002282200000000, 0.0006627300000000, 0.0003379400000000 ] - [ -0.0001658600000000, -0.0004710900000000, 0.0002516300000000 ] - [ -0.0003918100000000, -0.0005903800000000, 0.0003892900000000 ] - [ -0.0002607800000000, -0.0035981000000000, -0.0024011900000000 ] - [ 0.0003251300000000, -0.0000995900000000, -0.0000616500000000 ] - [ 0.0006310100000000, -0.0026252900000000, 0.0001231700000000 ] - [ 0.0003198700000000, 0.0000609000000000, -0.0000129900000000 ] - [ 0.0004881000000000, 0.0008769000000000, 0.0003185100000000 ] - [ -0.0011394300000000, 0.0003973000000000, -0.0001582500000000 ] - [ 0.0004507300000000, 0.0001275200000000, -0.0005240000000000 ] - [ -0.0010720100000000, 0.0003056200000000, -0.0004983100000000 ] - [ -0.0004127500000000, 0.0005716600000000, -0.0006251400000000 ] - [ 0.0004409400000000, 0.0002019700000000, -0.0004483300000000 ] - [ -0.0002235200000000, -0.0009065100000000, -0.0004703300000000 ] - [ 0.0010199100000000, -0.0013550600000000, 0.0005236200000000 ] - [ 0.0018247600000000, 0.0018515300000000, 0.0010247800000000 ] - [ 0.0000363800000000, -0.0001642100000000, 0.0006465100000000 ] - [ 0.0005336600000000, 0.0007575500000000, 0.0002254600000000 ] - [ 0.0001493700000000, 0.0002945400000000, 0.0004997900000000 ] - [ 0.0006911900000000, 0.0000367200000000, 0.0021823000000000 ] - [ 0.0000830500000000, -0.0002231700000000, 0.0003475600000000 ] - [ 0.0001289400000000, 0.0015196500000000, 0.0013577900000000 ] - [ 0.0000372400000000, 0.0002599900000000, 0.0003245700000000 ] - [ 0.0004956200000000, 0.0018878800000000, 0.0003387000000000 ] - [ -0.0001593000000000, 0.0007310000000000, -0.0004206700000000 ] - [ 0.0007023900000000, 0.0012390500000000, -0.0043740200000000 ] - [ -0.0002301700000000, -0.0006583000000000, -0.0004200600000000 ] - [ 0.0215720500000000, -0.0668946000000000, -0.0124606200000000 ] - [ -0.0007706800000000, -0.0003997400000000, 0.0003647500000000 ] - [ -0.0006831600000000, 0.0067046500000000, -0.0005061800000000 ] - [ -0.0006562200000000, -0.0004928800000000, -0.0000197300000000 ] - [ -0.0008733200000000, 0.0006525100000000, 0.0007950200000000 ] - [ -0.0006887800000000, 0.0004198500000000, 0.0003522600000000 ] - [ -0.0004992900000000, 0.0000067200000000, 0.0000880100000000 ] - [ -0.0004019400000000, 0.0003883000000000, -0.0000761300000000 ] - [ -0.0003605000000000, -0.0003301900000000, 0.0002378900000000 ] - [ -0.0002554700000000, -0.0000857400000000, 0.0007431200000000 ] - [ 0.0018151200000000, 0.0007759300000000, 0.0060161200000000 ] - [ -0.0002787500000000, 0.0000983600000000, 0.0008253300000000 ] - [ 0.0003685300000000, 0.0000624500000000, -0.0008161500000000 ] - [ -0.0016355800000000, 0.0030500500000000, -0.0010503300000000 ] - [ 0.0004850400000000, 0.0000671000000000, -0.0007159500000000 ] - [ 0.0002452300000000, 0.0001374800000000, -0.0007768600000000 ] - [ 0.0006135000000000, -0.0006895500000000, 0.0001304200000000 ] - [ -0.0000199100000000, -0.0002391100000000, 0.0005493000000000 ] - [ 0.0009438300000000, 0.0000338400000000, -0.0003969100000000 ] - [ 0.0006989000000000, -0.0000935500000000, -0.0003136800000000 ] - [ 0.0004894200000000, 0.0007717300000000, 0.0001519800000000 ] - [ 0.0008489000000000, 0.0012415200000000, -0.0000433200000000 ] - [ 0.0007778200000000, 0.0002438200000000, -0.0002350400000000 ] - [ -0.0004994000000000, 0.0005500200000000, -0.0016765800000000 ] - [ 0.0002233700000000, -0.0007201000000000, 0.0002643400000000 ] - [ -0.0002447600000000, -0.0002345700000000, 0.0005163300000000 ] - [ 0.0002056600000000, -0.0002080600000000, 0.0006527800000000 ] - [ 0.0003204400000000, -0.0002652000000000, 0.0007092500000000 ] - [ -0.0021235000000000, 0.0010561000000000, -0.0011769300000000 ] - [ 0.0001806600000000, 0.0002736900000000, -0.0002693700000000 ] - [ -0.0000542800000000, -0.0003233000000000, -0.0000337100000000 ] - [ 0.0000959000000000, -0.0003818700000000, -0.0000503100000000 ] - [ -0.0010289900000000, -0.0002974400000000, -0.0013841600000000 ] - [ 0.0000836200000000, -0.0002672900000000, -0.0006243100000000 ] - [ -0.0013021000000000, 0.0000626500000000, 0.0002373600000000 ] - [ 0.0000443600000000, 0.0001410600000000, -0.0006725400000000 ]- atom: 77 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0013165400000000, -0.0032333600000000, -0.0005647300000000 ] - [ -0.0001424800000000, 0.0001511300000000, -0.0007390800000000 ] - [ -0.0001329200000000, 0.0000171300000000, -0.0005307900000000 ] - [ -0.0000574700000000, -0.0000942300000000, -0.0007759200000000 ] - [ 0.0025572400000000, -0.0036499400000000, 0.0070397300000000 ] - [ -0.0001128700000000, 0.0001789000000000, 0.0004720100000000 ] - [ -0.0008430000000000, 0.0003553900000000, 0.0009543100000000 ] - [ -0.0001065200000000, -0.0001842400000000, 0.0004675700000000 ] - [ -0.0006355800000000, 0.0005399700000000, 0.0004348900000000 ] - [ 0.0004676600000000, -0.0004930200000000, 0.0003425000000000 ] - [ 0.0005073600000000, 0.0003773600000000, 0.0006576000000000 ] - [ 0.0005084800000000, 0.0005339600000000, 0.0003027400000000 ] - [ -0.0005885400000000, -0.0000890100000000, -0.0016084400000000 ] - [ -0.0002698700000000, -0.0004347700000000, -0.0002011400000000 ] - [ -0.0007806500000000, -0.0006598500000000, 0.0000831200000000 ] - [ -0.0002769400000000, 0.0004331500000000, -0.0001903300000000 ] - [ 0.0000123200000000, -0.0045129700000000, 0.0043762400000000 ] - [ 0.0000371300000000, 0.0000298900000000, 0.0008784800000000 ] - [ -0.0000368800000000, 0.0001006400000000, 0.0009674900000000 ] - [ 0.0001006300000000, -0.0000255600000000, 0.0008472400000000 ] - [ -0.0005869900000000, -0.0005518000000000, 0.0010462000000000 ] - [ -0.0003526300000000, -0.0002964200000000, 0.0005209100000000 ] - [ -0.0002559000000000, 0.0011513000000000, 0.0013322300000000 ] - [ -0.0004086900000000, 0.0002612500000000, 0.0005539900000000 ] - [ 0.0000483100000000, -0.0000522300000000, -0.0002514400000000 ] - [ 0.0016056300000000, 0.0007261300000000, -0.0003573800000000 ] - [ 0.0003483200000000, 0.0001750000000000, -0.0004705900000000 ] - [ 0.0003923400000000, 0.0001223700000000, -0.0003963500000000 ] - [ -0.0001343800000000, 0.0001296100000000, -0.0008211800000000 ] - [ -0.0000410800000000, 0.0001530800000000, -0.0007547800000000 ] - [ -0.0001703500000000, -0.0000982600000000, -0.0007801800000000 ] - [ -0.0033069600000000, -0.0037198800000000, -0.0037754900000000 ] - [ 0.0006635100000000, -0.0007983200000000, 0.0000506300000000 ] - [ -0.0008943800000000, -0.0001953500000000, 0.0004098700000000 ] - [ 0.0003763700000000, 0.0006276600000000, 0.0002149100000000 ] - [ 0.0002638500000000, 0.0006255300000000, 0.0001734200000000 ] - [ -0.0002046400000000, -0.0010471100000000, -0.0002885500000000 ] - [ -0.0005524000000000, -0.0007131400000000, -0.0002724500000000 ] - [ -0.0007367000000000, 0.0009512300000000, 0.0000644100000000 ] - [ -0.0003361100000000, 0.0007189000000000, -0.0002921000000000 ] - [ 0.0006208900000000, 0.0008882200000000, -0.0008368600000000 ] - [ -0.0000423400000000, 0.0005089700000000, -0.0002352500000000 ] - [ 0.0002252600000000, -0.0003564100000000, -0.0004884400000000 ] - [ 0.0000827800000000, -0.0002461000000000, -0.0007829800000000 ] - [ 0.0003013100000000, 0.0005629700000000, 0.0006622300000000 ] - [ 0.0000774500000000, 0.0002505500000000, 0.0008245600000000 ] - [ 0.0002310400000000, -0.0007842300000000, 0.0010075600000000 ] - [ -0.0000351700000000, -0.0003795500000000, 0.0008178600000000 ] - [ 0.0239482200000000, -0.0398394300000000, -0.0202978400000000 ] - [ -0.0003948600000000, 0.0005101000000000, 0.0003884300000000 ] - [ -0.0004641400000000, -0.0007005900000000, 0.0004682900000000 ] - [ -0.0002325500000000, -0.0005809900000000, 0.0003357500000000 ] - [ 0.0007905000000000, 0.0033885500000000, 0.0024342900000000 ] - [ 0.0001904500000000, -0.0001260500000000, 0.0000559600000000 ] - [ -0.0001157900000000, 0.0028455000000000, -0.0001285700000000 ] - [ 0.0001950400000000, 0.0001646600000000, 0.0000078200000000 ] - [ -0.0010062400000000, -0.0011015900000000, -0.0003148300000000 ] - [ 0.0006307500000000, -0.0006153200000000, 0.0001628900000000 ] - [ -0.0009652900000000, 0.0000982900000000, 0.0005299600000000 ] - [ 0.0005557900000000, -0.0000800400000000, 0.0005030000000000 ] - [ 0.0010415900000000, 0.0005982000000000, -0.0000972800000000 ] - [ 0.0001840600000000, 0.0009695600000000, -0.0002772000000000 ] - [ 0.0008494200000000, -0.0002650600000000, -0.0002554400000000 ] - [ -0.0003959900000000, 0.0001769800000000, -0.0012581300000000 ] - [ -0.0013627300000000, -0.0022816000000000, 0.0001344100000000 ] - [ 0.0004472700000000, -0.0002573900000000, 0.0005172100000000 ] - [ -0.0000506200000000, -0.0003355300000000, 0.0009379600000000 ] - [ 0.0003344400000000, 0.0001276800000000, 0.0006636400000000 ] - [ -0.0005322400000000, -0.0002637100000000, -0.0015967100000000 ] - [ 0.0000790100000000, -0.0000139200000000, 0.0002438400000000 ] - [ 0.0000358100000000, -0.0012790500000000, -0.0007604400000000 ] - [ 0.0001250500000000, -0.0000233500000000, 0.0002659100000000 ] - [ -0.0007753300000000, -0.0006646900000000, -0.0012210500000000 ] - [ -0.0001125900000000, 0.0005063400000000, -0.0004456100000000 ] - [ -0.0009743500000000, -0.0024602800000000, 0.0035033600000000 ] - [ -0.0000411500000000, -0.0005779400000000, -0.0004471300000000 ] - [ -0.0218743600000000, 0.0650857500000000, 0.0118341300000000 ] - [ -0.0006502500000000, -0.0002720600000000, 0.0003201500000000 ] - [ -0.0001870100000000, -0.0075418800000000, 0.0003485100000000 ] - [ -0.0001833800000000, -0.0004439200000000, -0.0001651200000000 ] - [ -0.0005459000000000, 0.0000163200000000, -0.0001093500000000 ] - [ -0.0007324300000000, 0.0002517200000000, 0.0003327000000000 ] - [ -0.0003400300000000, 0.0009303100000000, -0.0002716800000000 ] - [ -0.0004385100000000, 0.0005477800000000, -0.0001089500000000 ] - [ -0.0001976300000000, 0.0001525400000000, 0.0013970500000000 ] - [ -0.0003047100000000, -0.0000871100000000, 0.0008826900000000 ] - [ -0.0023745100000000, -0.0005989600000000, -0.0043649600000000 ] - [ -0.0002818900000000, 0.0000746400000000, 0.0007991100000000 ] - [ 0.0001909600000000, -0.0002359400000000, -0.0008087800000000 ] - [ 0.0022174400000000, -0.0032373800000000, -0.0005698500000000 ] - [ 0.0000736100000000, 0.0001068500000000, -0.0009110300000000 ] - [ 0.0003151300000000, 0.0000363700000000, -0.0008491700000000 ] - [ 0.0002251800000000, -0.0002446000000000, 0.0000547700000000 ] - [ 0.0008598700000000, -0.0006954100000000, -0.0003644500000000 ] - [ 0.0004753700000000, -0.0007067100000000, -0.0002877200000000 ] - [ 0.0007225700000000, -0.0005793500000000, -0.0003709600000000 ] - [ 0.0003499900000000, 0.0001638300000000, 0.0000323700000000 ] - [ -0.0000081500000000, -0.0003057100000000, 0.0002303000000000 ] - [ 0.0006424700000000, 0.0004284200000000, -0.0004493700000000 ] - [ 0.0019128900000000, 0.0001322500000000, 0.0009898100000000 ] - [ 0.0000524000000000, 0.0019567600000000, 0.0005988500000000 ] - [ 0.0005008900000000, 0.0014715600000000, 0.0003513400000000 ] - [ 0.0000648300000000, -0.0010307000000000, 0.0002128600000000 ] - [ -0.0000498100000000, -0.0009717900000000, 0.0001576800000000 ] - [ 0.0019617600000000, -0.0012991100000000, 0.0005852400000000 ] - [ -0.0003450700000000, -0.0005130300000000, -0.0003240800000000 ] - [ -0.0001089000000000, 0.0005601100000000, -0.0005581200000000 ] - [ -0.0002585400000000, 0.0006176500000000, -0.0005402600000000 ] - [ 0.0005428800000000, -0.0001276600000000, 0.0002168900000000 ] - [ -0.0005686100000000, -0.0001547400000000, -0.0005393500000000 ] - [ 0.0008169500000000, 0.0003589300000000, -0.0013996400000000 ] - [ -0.0005279500000000, 0.0002803900000000, -0.0004923300000000 ]- atom: 77 displacement: [ -0.0007714822112317, 0.0000000000000000, 0.0099701963470011 ] forces: - [ -0.0034997400000000, -0.0016439500000000, 0.0025950700000000 ] - [ -0.0000464200000000, 0.0000847000000000, -0.0007400600000000 ] - [ -0.0002241000000000, 0.0000174600000000, -0.0011380900000000 ] - [ -0.0001232700000000, -0.0001654300000000, -0.0008189100000000 ] - [ 0.0060806500000000, -0.0043463000000000, 0.0169496400000000 ] - [ -0.0000844500000000, 0.0002012900000000, 0.0005020300000000 ] - [ 0.0007514900000000, -0.0005795600000000, -0.0002115800000000 ] - [ -0.0001640400000000, -0.0002702800000000, 0.0004464000000000 ] - [ 0.0005763300000000, -0.0010232700000000, 0.0007091700000000 ] - [ 0.0004970800000000, -0.0005735400000000, 0.0003566000000000 ] - [ 0.0003623600000000, 0.0005597700000000, -0.0004123500000000 ] - [ 0.0004291600000000, 0.0005922600000000, 0.0002685700000000 ] - [ -0.0001462300000000, 0.0002785000000000, 0.0001537900000000 ] - [ -0.0002622700000000, -0.0004649000000000, -0.0001387700000000 ] - [ 0.0000690000000000, 0.0007487200000000, -0.0009241600000000 ] - [ -0.0003240500000000, 0.0005188600000000, -0.0001988900000000 ] - [ 0.0010294600000000, -0.0045097600000000, 0.0087142400000000 ] - [ 0.0001190800000000, 0.0000355800000000, 0.0008790600000000 ] - [ 0.0001978800000000, -0.0000699500000000, 0.0006311500000000 ] - [ 0.0000237000000000, -0.0000509900000000, 0.0007647500000000 ] - [ 0.0000282700000000, -0.0003548800000000, -0.0005714900000000 ] - [ -0.0004306500000000, -0.0002132000000000, 0.0004672500000000 ] - [ -0.0004282600000000, -0.0005344500000000, 0.0010408700000000 ] - [ -0.0003374400000000, 0.0002696400000000, 0.0005389100000000 ] - [ 0.0005436100000000, -0.0002571800000000, -0.0005817600000000 ] - [ 0.0001025500000000, -0.0004993200000000, -0.0005554100000000 ] - [ 0.0003813500000000, 0.0002583200000000, -0.0005663300000000 ] - [ 0.0004549700000000, 0.0002274500000000, -0.0006866700000000 ] - [ -0.0001433600000000, 0.0000556700000000, -0.0009466600000000 ] - [ 0.0002052600000000, 0.0002756600000000, -0.0010871500000000 ] - [ -0.0001056000000000, -0.0000783700000000, -0.0007232500000000 ] - [ 0.0044557000000000, 0.0013050400000000, 0.0057143300000000 ] - [ -0.0000105100000000, -0.0004600500000000, 0.0002820600000000 ] - [ 0.0010103500000000, -0.0009535300000000, 0.0001952900000000 ] - [ 0.0004725300000000, 0.0006017200000000, 0.0001002100000000 ] - [ 0.0002614600000000, 0.0004939600000000, 0.0000136200000000 ] - [ -0.0009149000000000, -0.0005690500000000, -0.0006854900000000 ] - [ -0.0003647500000000, -0.0005813300000000, -0.0004287700000000 ] - [ -0.0001478100000000, 0.0005342500000000, -0.0004040200000000 ] - [ -0.0006350300000000, 0.0005961400000000, -0.0002054100000000 ] - [ -0.0002110700000000, -0.0000436400000000, -0.0002371900000000 ] - [ 0.0001125300000000, 0.0002326600000000, -0.0004840000000000 ] - [ 0.0003205000000000, -0.0003541600000000, -0.0005652700000000 ] - [ 0.0001343200000000, -0.0002090100000000, -0.0007934800000000 ] - [ -0.0000251500000000, 0.0003630700000000, 0.0005620000000000 ] - [ 0.0001389100000000, 0.0001925800000000, 0.0006819100000000 ] - [ 0.0004496600000000, -0.0002962200000000, 0.0009194500000000 ] - [ -0.0001780500000000, -0.0002973700000000, 0.0009969400000000 ] - [ -0.0179930600000000, 0.0227778100000000, 0.0248047600000000 ] - [ -0.0001558500000000, 0.0006353800000000, 0.0004837700000000 ] - [ -0.0010832600000000, -0.0005438500000000, -0.0011806500000000 ] - [ -0.0003821900000000, -0.0005838500000000, 0.0002163400000000 ] - [ 0.0000403100000000, -0.0031057600000000, -0.0005653100000000 ] - [ 0.0002735800000000, -0.0001147300000000, 0.0000745300000000 ] - [ -0.0005483600000000, 0.0016612900000000, -0.0013515200000000 ] - [ 0.0001448700000000, 0.0001127000000000, -0.0000577900000000 ] - [ -0.0009641200000000, 0.0005580900000000, 0.0017035800000000 ] - [ 0.0007601300000000, 0.0004232300000000, 0.0004357900000000 ] - [ 0.0001338600000000, 0.0001272100000000, -0.0005451000000000 ] - [ -0.0008314500000000, 0.0000771200000000, -0.0007006300000000 ] - [ -0.0001985300000000, 0.0004979100000000, -0.0007692300000000 ] - [ 0.0004209800000000, 0.0002514200000000, -0.0007053900000000 ] - [ 0.0009059700000000, -0.0005968500000000, -0.0000465800000000 ] - [ 0.0001499400000000, 0.0001882500000000, 0.0008979900000000 ] - [ 0.0011607700000000, 0.0007195000000000, 0.0002057000000000 ] - [ 0.0002008800000000, -0.0001879300000000, 0.0005362600000000 ] - [ -0.0004527200000000, -0.0001944000000000, 0.0017136000000000 ] - [ 0.0003926000000000, 0.0001530400000000, 0.0006874000000000 ] - [ 0.0007307900000000, 0.0011824500000000, 0.0025120900000000 ] - [ 0.0000592400000000, -0.0000829100000000, 0.0003003400000000 ] - [ -0.0002051100000000, 0.0002522300000000, 0.0001640400000000 ] - [ 0.0001678800000000, 0.0000809600000000, 0.0003009100000000 ] - [ 0.0001936100000000, 0.0011662300000000, 0.0001244200000000 ] - [ -0.0001748400000000, 0.0006114900000000, -0.0004390800000000 ] - [ -0.0008493600000000, -0.0043390600000000, 0.0034131800000000 ] - [ -0.0000454900000000, -0.0006055600000000, -0.0004561900000000 ] - [ 0.0056834400000000, -0.0144536200000000, -0.0666495900000000 ] - [ -0.0007271200000000, -0.0003096900000000, 0.0002661300000000 ] - [ 0.0027873700000000, 0.0000654400000000, -0.0035276500000000 ] - [ -0.0005302700000000, -0.0005404300000000, -0.0001409500000000 ] - [ -0.0008963500000000, -0.0001259000000000, 0.0015019800000000 ] - [ -0.0006786300000000, 0.0003283300000000, 0.0004169400000000 ] - [ -0.0005513200000000, 0.0006110700000000, 0.0007298500000000 ] - [ -0.0004009800000000, 0.0004711300000000, -0.0000032600000000 ] - [ -0.0000212500000000, -0.0009695900000000, 0.0031026100000000 ] - [ -0.0002246500000000, -0.0000837700000000, 0.0008752300000000 ] - [ -0.0015221600000000, 0.0054057600000000, 0.0065184200000000 ] - [ -0.0003380300000000, 0.0000779500000000, 0.0007243500000000 ] - [ 0.0001525700000000, 0.0000260300000000, -0.0010970400000000 ] - [ -0.0006105400000000, 0.0008668800000000, -0.0016917500000000 ] - [ 0.0003625100000000, 0.0000663000000000, -0.0004898500000000 ] - [ 0.0003614200000000, 0.0000953500000000, -0.0003795300000000 ] - [ 0.0006056200000000, -0.0004500200000000, 0.0002072200000000 ] - [ -0.0001303100000000, -0.0000033600000000, 0.0005154000000000 ] - [ 0.0009393800000000, -0.0002647400000000, -0.0003602000000000 ] - [ 0.0006100800000000, -0.0003661900000000, -0.0002991000000000 ] - [ 0.0002364100000000, 0.0004052000000000, 0.0001316200000000 ] - [ 0.0007387300000000, 0.0006850600000000, -0.0001769000000000 ] - [ 0.0005479400000000, 0.0004389500000000, -0.0003866000000000 ] - [ 0.0022878100000000, -0.0008986600000000, 0.0002727100000000 ] - [ 0.0004231500000000, 0.0005055700000000, -0.0002385600000000 ] - [ -0.0005557700000000, 0.0006597000000000, -0.0002267800000000 ] - [ 0.0002130400000000, -0.0005485400000000, 0.0008561400000000 ] - [ 0.0001882300000000, -0.0004693500000000, 0.0007132400000000 ] - [ -0.0013958100000000, 0.0002693500000000, -0.0013941100000000 ] - [ -0.0001134700000000, -0.0003126000000000, -0.0006532500000000 ] - [ 0.0000002500000000, -0.0001041700000000, 0.0001124500000000 ] - [ -0.0000093400000000, -0.0000508400000000, 0.0000097600000000 ] - [ 0.0020171300000000, -0.0014378900000000, -0.0003875800000000 ] - [ -0.0006277500000000, -0.0002114500000000, -0.0005390900000000 ] - [ -0.0010574700000000, 0.0002219000000000, 0.0000977100000000 ] - [ -0.0000159100000000, 0.0002358500000000, -0.0005453300000000 ]- atom: 77 displacement: [ 0.0007714822112317, 0.0000000000000000, -0.0099701963470011 ] forces: - [ 0.0032844200000000, 0.0019869500000000, -0.0041867400000000 ] - [ -0.0001545100000000, 0.0002625400000000, -0.0008070100000000 ] - [ 0.0000242800000000, -0.0003645500000000, -0.0004069400000000 ] - [ -0.0000777200000000, -0.0001817000000000, -0.0007282300000000 ] - [ -0.0066606400000000, 0.0051085200000000, -0.0167598300000000 ] - [ -0.0001679000000000, 0.0003057700000000, 0.0004435500000000 ] - [ -0.0010022100000000, 0.0000766200000000, 0.0011626100000000 ] - [ -0.0000880500000000, -0.0002367000000000, 0.0004998700000000 ] - [ 0.0003675500000000, -0.0001647700000000, -0.0000775600000000 ] - [ 0.0004492000000000, -0.0006172100000000, 0.0002746300000000 ] - [ 0.0005850900000000, 0.0006306800000000, 0.0010464800000000 ] - [ 0.0005173100000000, 0.0005991000000000, 0.0003624200000000 ] - [ -0.0004365900000000, -0.0013026200000000, -0.0005021500000000 ] - [ -0.0003208500000000, -0.0005545100000000, -0.0002063400000000 ] - [ -0.0006517300000000, 0.0002678900000000, 0.0005862400000000 ] - [ -0.0002590300000000, 0.0004982800000000, -0.0001454700000000 ] - [ -0.0008020800000000, 0.0043981400000000, -0.0069276000000000 ] - [ 0.0000379800000000, 0.0000675300000000, 0.0007814400000000 ] - [ -0.0000425200000000, -0.0000301600000000, 0.0010297000000000 ] - [ 0.0001333600000000, -0.0000493000000000, 0.0008956100000000 ] - [ -0.0007902200000000, -0.0001202400000000, 0.0015857900000000 ] - [ -0.0003284400000000, -0.0002628300000000, 0.0005376100000000 ] - [ -0.0003293500000000, 0.0010136000000000, -0.0000328900000000 ] - [ -0.0004222500000000, 0.0002064800000000, 0.0004671000000000 ] - [ 0.0002132900000000, -0.0002164400000000, -0.0004205800000000 ] - [ 0.0006598500000000, 0.0000264600000000, -0.0004483100000000 ] - [ 0.0003782300000000, 0.0002173800000000, -0.0004384700000000 ] - [ 0.0003036300000000, 0.0002489400000000, -0.0003165100000000 ] - [ -0.0000147700000000, 0.0000519300000000, -0.0007130100000000 ] - [ -0.0003659400000000, -0.0001706200000000, -0.0005718900000000 ] - [ -0.0000536100000000, -0.0000239900000000, -0.0009354800000000 ] - [ -0.0044322400000000, -0.0013593900000000, -0.0072947700000000 ] - [ 0.0005940400000000, -0.0005597200000000, 0.0000608000000000 ] - [ -0.0004368100000000, -0.0000605600000000, 0.0001490100000000 ] - [ 0.0001105100000000, 0.0004174600000000, 0.0002451000000000 ] - [ 0.0003202600000000, 0.0005250500000000, 0.0003312500000000 ] - [ -0.0000286100000000, -0.0006237700000000, 0.0000561500000000 ] - [ -0.0005828300000000, -0.0006108000000000, -0.0002015100000000 ] - [ -0.0008000300000000, 0.0006587600000000, -0.0002244800000000 ] - [ -0.0003111900000000, 0.0005952200000000, -0.0004255900000000 ] - [ 0.0004644400000000, 0.0005530400000000, -0.0007097500000000 ] - [ 0.0001390200000000, 0.0002739200000000, -0.0004618400000000 ] - [ -0.0000677800000000, -0.0001527800000000, -0.0003791400000000 ] - [ 0.0001181000000000, -0.0002986200000000, -0.0001506000000000 ] - [ 0.0002276100000000, -0.0000152700000000, 0.0009853200000000 ] - [ 0.0000612600000000, 0.0001546800000000, 0.0008660000000000 ] - [ -0.0002525600000000, -0.0000536600000000, 0.0006299800000000 ] - [ 0.0003800000000000, -0.0000514000000000, 0.0005506100000000 ] - [ 0.0170930100000000, -0.0210772600000000, -0.0240268800000000 ] - [ -0.0004710100000000, 0.0005371400000000, 0.0002404300000000 ] - [ 0.0004652700000000, -0.0006241200000000, 0.0019138600000000 ] - [ -0.0002442500000000, -0.0005878900000000, 0.0005084200000000 ] - [ 0.0004914500000000, 0.0029090000000000, 0.0005723100000000 ] - [ 0.0002409200000000, -0.0001108100000000, -0.0000809500000000 ] - [ 0.0010556500000000, -0.0014399500000000, 0.0013558900000000 ] - [ 0.0003701800000000, 0.0001123400000000, 0.0000533000000000 ] - [ 0.0004508400000000, -0.0007832500000000, -0.0017145500000000 ] - [ -0.0012813900000000, -0.0006493800000000, -0.0004352800000000 ] - [ -0.0006554100000000, 0.0000977800000000, 0.0005572300000000 ] - [ 0.0003175600000000, 0.0001488700000000, 0.0007097300000000 ] - [ 0.0008314200000000, 0.0006740400000000, 0.0000450800000000 ] - [ 0.0002044800000000, 0.0009227400000000, -0.0000176400000000 ] - [ -0.0002782600000000, -0.0005754200000000, -0.0006763000000000 ] - [ 0.0004775100000000, -0.0013655300000000, -0.0016267400000000 ] - [ -0.0006848800000000, -0.0011434400000000, 0.0009675000000000 ] - [ 0.0002827500000000, -0.0002337700000000, 0.0006287200000000 ] - [ 0.0009338600000000, 0.0006133000000000, -0.0005467300000000 ] - [ 0.0000910100000000, 0.0002686100000000, 0.0004769400000000 ] - [ -0.0005778600000000, -0.0014238700000000, -0.0019426200000000 ] - [ 0.0001037400000000, -0.0001539900000000, 0.0002897600000000 ] - [ 0.0003675000000000, -0.0000188000000000, 0.0004215200000000 ] - [ -0.0000054800000000, 0.0001555000000000, 0.0002887800000000 ] - [ -0.0004715500000000, 0.0000630200000000, -0.0009994200000000 ] - [ -0.0000957200000000, 0.0006255900000000, -0.0004277200000000 ] - [ 0.0005733400000000, 0.0030706900000000, -0.0042587300000000 ] - [ -0.0002252800000000, -0.0006314900000000, -0.0004112900000000 ] - [ -0.0067174300000000, 0.0131077800000000, 0.0677506400000000 ] - [ -0.0006921100000000, -0.0003636600000000, 0.0004192700000000 ] - [ -0.0036115900000000, -0.0010024700000000, 0.0033497400000000 ] - [ -0.0003070400000000, -0.0003941400000000, -0.0000431900000000 ] - [ -0.0005248400000000, 0.0008001800000000, -0.0008221700000000 ] - [ -0.0007416700000000, 0.0003438600000000, 0.0002682000000000 ] - [ -0.0002874700000000, 0.0003221000000000, -0.0009198600000000 ] - [ -0.0004381100000000, 0.0004633000000000, -0.0001815500000000 ] - [ -0.0005435200000000, 0.0008020900000000, -0.0014947400000000 ] - [ -0.0003347700000000, -0.0000897100000000, 0.0007496300000000 ] - [ 0.0009453600000000, -0.0051494700000000, -0.0048324600000000 ] - [ -0.0002209000000000, 0.0000951900000000, 0.0008999300000000 ] - [ 0.0004074600000000, -0.0002004500000000, -0.0005271900000000 ] - [ 0.0011703500000000, -0.0010407900000000, 0.0000800700000000 ] - [ 0.0001957400000000, 0.0001073600000000, -0.0011357000000000 ] - [ 0.0001987400000000, 0.0000780000000000, -0.0012465200000000 ] - [ 0.0002317900000000, -0.0004834900000000, -0.0000215800000000 ] - [ 0.0009738500000000, -0.0009342000000000, -0.0003327700000000 ] - [ 0.0004797100000000, -0.0004094700000000, -0.0003227500000000 ] - [ 0.0008114200000000, -0.0003070100000000, -0.0003856800000000 ] - [ 0.0006031900000000, 0.0005286100000000, 0.0000519200000000 ] - [ 0.0000994000000000, 0.0002482000000000, 0.0003618300000000 ] - [ 0.0008732700000000, 0.0002342900000000, -0.0002986300000000 ] - [ -0.0008687900000000, 0.0015730400000000, -0.0009582200000000 ] - [ -0.0001417400000000, 0.0007305000000000, 0.0011113500000000 ] - [ 0.0008195300000000, 0.0005784600000000, 0.0011007200000000 ] - [ 0.0000566100000000, -0.0006918600000000, 0.0000078500000000 ] - [ 0.0000821100000000, -0.0007707100000000, 0.0001515000000000 ] - [ 0.0012466600000000, -0.0005151800000000, 0.0008124300000000 ] - [ -0.0000490800000000, 0.0000754700000000, 0.0000658400000000 ] - [ -0.0001637000000000, 0.0003430300000000, -0.0007054500000000 ] - [ -0.0001535900000000, 0.0002892300000000, -0.0006019400000000 ] - [ -0.0025109500000000, 0.0010164500000000, -0.0007736000000000 ] - [ 0.0001475500000000, -0.0002108300000000, -0.0006255800000000 ] - [ 0.0005837600000000, 0.0001980500000000, -0.0012709900000000 ] - [ -0.0004675600000000, 0.0001852300000000, -0.0006195700000000 ]- atom: 79 displacement: [ 0.0099872533903921, 0.0000000000000000, -0.0005047471803797 ] forces: - [ 0.0001381700000000, -0.0006308200000000, -0.0009192700000000 ] - [ -0.0003752400000000, 0.0001768700000000, -0.0007928400000000 ] - [ 0.0000173600000000, -0.0002302300000000, -0.0006136700000000 ] - [ -0.0001610300000000, -0.0001021200000000, -0.0007976500000000 ] - [ 0.0002332200000000, 0.0003690200000000, 0.0002234700000000 ] - [ -0.0004370700000000, 0.0004036700000000, 0.0004122000000000 ] - [ 0.0001514700000000, -0.0004094200000000, 0.0007157200000000 ] - [ -0.0002328100000000, -0.0001931100000000, 0.0004395400000000 ] - [ 0.0120540300000000, -0.0062219300000000, -0.0027741700000000 ] - [ -0.0000575300000000, -0.0009209400000000, 0.0002195500000000 ] - [ 0.0006277200000000, 0.0007159200000000, 0.0004266700000000 ] - [ 0.0004224000000000, 0.0005079700000000, 0.0003077800000000 ] - [ 0.0018055300000000, 0.0006985700000000, 0.0034590800000000 ] - [ -0.0006436800000000, -0.0006399300000000, -0.0001773600000000 ] - [ 0.0000620100000000, 0.0005632500000000, 0.0001620700000000 ] - [ -0.0004123200000000, 0.0004765100000000, -0.0001986200000000 ] - [ 0.0006349700000000, -0.0004964500000000, 0.0007408700000000 ] - [ -0.0002434100000000, 0.0000913700000000, 0.0008540100000000 ] - [ 0.0003321000000000, -0.0000406400000000, 0.0009582600000000 ] - [ -0.0001672000000000, -0.0000705500000000, 0.0008140800000000 ] - [ -0.0002399200000000, -0.0001579700000000, 0.0004653100000000 ] - [ -0.0005569300000000, -0.0002236800000000, 0.0004948300000000 ] - [ 0.0023652000000000, 0.0004894900000000, -0.0014608500000000 ] - [ -0.0006268500000000, 0.0002234000000000, 0.0004946200000000 ] - [ -0.0001591600000000, -0.0000252500000000, -0.0003936200000000 ] - [ 0.0167184000000000, 0.0055908300000000, 0.0060216600000000 ] - [ 0.0002383200000000, 0.0002708500000000, -0.0005534600000000 ] - [ 0.0004355200000000, 0.0001909200000000, -0.0004398300000000 ] - [ -0.0003204200000000, 0.0000236500000000, -0.0008972200000000 ] - [ 0.0000492100000000, 0.0000981300000000, -0.0006499500000000 ] - [ -0.0006818600000000, 0.0000234100000000, -0.0005346600000000 ] - [ 0.0004255800000000, 0.0006907800000000, -0.0011675400000000 ] - [ 0.0002153300000000, -0.0009378300000000, -0.0001177500000000 ] - [ 0.0003781600000000, -0.0006306800000000, 0.0004497300000000 ] - [ 0.0001945500000000, 0.0005055600000000, 0.0002364500000000 ] - [ 0.0003110100000000, 0.0005157300000000, -0.0002518100000000 ] - [ -0.0003770300000000, -0.0009775300000000, -0.0005618800000000 ] - [ -0.0004789600000000, -0.0004206300000000, -0.0001270300000000 ] - [ -0.0006491100000000, 0.0008693100000000, 0.0001453700000000 ] - [ -0.0008753600000000, 0.0007380100000000, -0.0007480000000000 ] - [ -0.0000654400000000, 0.0006538000000000, -0.0007107800000000 ] - [ -0.0004881100000000, -0.0003626400000000, -0.0000251500000000 ] - [ 0.0000410500000000, -0.0002461600000000, -0.0004251700000000 ] - [ 0.0000911200000000, -0.0003101500000000, -0.0006106100000000 ] - [ 0.0001313900000000, 0.0004854700000000, 0.0004528700000000 ] - [ 0.0000372300000000, 0.0000462300000000, 0.0009945400000000 ] - [ -0.0001587700000000, -0.0005647300000000, 0.0012890300000000 ] - [ -0.0000230400000000, -0.0002185400000000, 0.0005833700000000 ] - [ 0.0294361900000000, 0.0265800000000000, -0.0167658000000000 ] - [ -0.0011218100000000, 0.0007965800000000, 0.0001356900000000 ] - [ 0.0003603500000000, -0.0007669800000000, 0.0008655300000000 ] - [ -0.0004866600000000, -0.0005575200000000, 0.0003736400000000 ] - [ 0.0018364000000000, -0.0009126700000000, 0.0003016300000000 ] - [ -0.0002005700000000, -0.0001084300000000, 0.0000976400000000 ] - [ 0.0009172100000000, 0.0007386200000000, 0.0005125900000000 ] - [ -0.0000353200000000, 0.0000219100000000, -0.0000618000000000 ] - [ -0.0012397600000000, 0.0000020600000000, -0.0011777800000000 ] - [ -0.0021499300000000, 0.0018935400000000, 0.0010455100000000 ] - [ -0.0010527500000000, 0.0000873300000000, 0.0002743600000000 ] - [ 0.0001422600000000, 0.0002229300000000, 0.0000602600000000 ] - [ 0.0005797300000000, 0.0006098300000000, -0.0004955000000000 ] - [ 0.0000509900000000, 0.0001746000000000, -0.0001276600000000 ] - [ 0.0001612000000000, -0.0005778700000000, -0.0002540800000000 ] - [ -0.0005211800000000, -0.0014892700000000, -0.0010111500000000 ] - [ -0.0004600800000000, -0.0005953000000000, 0.0010569800000000 ] - [ 0.0007899400000000, -0.0000620300000000, 0.0003100900000000 ] - [ 0.0003740800000000, 0.0000110400000000, 0.0001822300000000 ] - [ 0.0005455900000000, 0.0003012700000000, 0.0006995200000000 ] - [ -0.0004127600000000, 0.0002877200000000, 0.0001324800000000 ] - [ 0.0002904300000000, -0.0001129400000000, 0.0002648700000000 ] - [ -0.0004533300000000, -0.0016718100000000, -0.0017208100000000 ] - [ 0.0004144200000000, 0.0002336500000000, 0.0004601000000000 ] - [ -0.0007731200000000, 0.0005518500000000, -0.0006385300000000 ] - [ 0.0000600700000000, 0.0006656000000000, -0.0004909300000000 ] - [ -0.0004009500000000, -0.0002159500000000, -0.0007659400000000 ] - [ 0.0001645000000000, -0.0006251300000000, -0.0003532200000000 ] - [ -0.0053794500000000, -0.0005518000000000, 0.0033500100000000 ] - [ -0.0001088700000000, -0.0005779000000000, 0.0002789600000000 ] - [ -0.0599576600000000, -0.0275309200000000, 0.0074945300000000 ] - [ 0.0002432700000000, -0.0004164300000000, -0.0000575400000000 ] - [ -0.0009216300000000, 0.0004251200000000, 0.0001516600000000 ] - [ -0.0005417600000000, 0.0003190000000000, 0.0003693900000000 ] - [ -0.0006569300000000, 0.0003375700000000, -0.0003181400000000 ] - [ -0.0002300500000000, 0.0004566000000000, -0.0000892000000000 ] - [ -0.0010523100000000, -0.0003373100000000, 0.0000615000000000 ] - [ 0.0001866600000000, -0.0000728300000000, 0.0008262100000000 ] - [ -0.0056666600000000, -0.0029602000000000, 0.0022564200000000 ] - [ 0.0001982900000000, 0.0000839900000000, 0.0009973700000000 ] - [ 0.0005885900000000, -0.0000727700000000, -0.0007991700000000 ] - [ 0.0011969300000000, 0.0016756400000000, -0.0005500100000000 ] - [ 0.0004392300000000, 0.0000904100000000, -0.0007304800000000 ] - [ 0.0000792400000000, 0.0001601700000000, -0.0009919200000000 ] - [ 0.0005012000000000, -0.0002584100000000, 0.0002902700000000 ] - [ 0.0003246800000000, -0.0004468200000000, -0.0000118600000000 ] - [ 0.0008460000000000, -0.0005286500000000, -0.0001501500000000 ] - [ 0.0009419800000000, 0.0001268600000000, -0.0009005800000000 ] - [ 0.0007096600000000, 0.0003939100000000, -0.0000971900000000 ] - [ 0.0012198800000000, 0.0013136100000000, 0.0018391100000000 ] - [ 0.0009688900000000, 0.0004028400000000, -0.0005081600000000 ] - [ 0.0004197500000000, 0.0007728600000000, -0.0000296800000000 ] - [ 0.0024489900000000, 0.0015162900000000, 0.0013807900000000 ] - [ 0.0003151400000000, 0.0001012100000000, 0.0008673900000000 ] - [ 0.0001644600000000, -0.0007167700000000, 0.0003466600000000 ] - [ 0.0000785600000000, -0.0009048400000000, 0.0003000900000000 ] - [ 0.0019625000000000, 0.0000461900000000, -0.0005142700000000 ] - [ 0.0024646200000000, -0.0001424100000000, -0.0005940700000000 ] - [ -0.0000666200000000, 0.0002470900000000, -0.0004339100000000 ] - [ -0.0001591800000000, 0.0003335900000000, -0.0004302600000000 ] - [ 0.0006104600000000, 0.0008722500000000, 0.0009353800000000 ] - [ 0.0010936900000000, -0.0003363600000000, -0.0010974900000000 ] - [ 0.0004434300000000, 0.0001733500000000, -0.0014083500000000 ] - [ -0.0001998800000000, 0.0001364200000000, -0.0003554000000000 ]- atom: 79 displacement: [ -0.0099872533903921, 0.0000000000000000, 0.0005047471803797 ] forces: - [ -0.0003408500000000, 0.0009852000000000, -0.0006237200000000 ] - [ 0.0001726400000000, 0.0001725500000000, -0.0007554900000000 ] - [ -0.0002191600000000, -0.0001185000000000, -0.0009346600000000 ] - [ -0.0000403600000000, -0.0002453500000000, -0.0007495100000000 ] - [ -0.0004860600000000, 0.0001343700000000, 0.0007170500000000 ] - [ 0.0001831800000000, 0.0001042200000000, 0.0005324900000000 ] - [ -0.0004041500000000, -0.0000981200000000, 0.0002303900000000 ] - [ -0.0000195400000000, -0.0003136400000000, 0.0005061100000000 ] - [ -0.0114884600000000, 0.0053473500000000, 0.0035515200000000 ] - [ 0.0010008300000000, -0.0002741000000000, 0.0004100300000000 ] - [ 0.0003185600000000, 0.0004766700000000, 0.0002039000000000 ] - [ 0.0005237700000000, 0.0006833500000000, 0.0003232000000000 ] - [ -0.0023316600000000, -0.0017066600000000, -0.0037410800000000 ] - [ 0.0000585300000000, -0.0003805200000000, -0.0001662900000000 ] - [ -0.0006485100000000, 0.0004522000000000, -0.0005076500000000 ] - [ -0.0001708400000000, 0.0005409400000000, -0.0001456800000000 ] - [ -0.0004722000000000, 0.0005939900000000, 0.0009234500000000 ] - [ 0.0003993600000000, 0.0000122400000000, 0.0008059600000000 ] - [ -0.0001707700000000, -0.0000615700000000, 0.0007021400000000 ] - [ 0.0003219700000000, -0.0000288300000000, 0.0008460000000000 ] - [ -0.0005172100000000, -0.0003204700000000, 0.0005391000000000 ] - [ -0.0002039300000000, -0.0002539600000000, 0.0005099100000000 ] - [ -0.0031178600000000, -0.0000173400000000, 0.0024340600000000 ] - [ -0.0001336900000000, 0.0002521400000000, 0.0005091900000000 ] - [ 0.0009184300000000, -0.0004524900000000, -0.0006130900000000 ] - [ -0.0153283700000000, -0.0057150600000000, -0.0067520200000000 ] - [ 0.0005203200000000, 0.0002066800000000, -0.0004511200000000 ] - [ 0.0003257300000000, 0.0002840100000000, -0.0005648700000000 ] - [ 0.0001604400000000, 0.0000809300000000, -0.0007632700000000 ] - [ -0.0002049100000000, 0.0000091800000000, -0.0010093400000000 ] - [ 0.0005210700000000, -0.0001245700000000, -0.0011244200000000 ] - [ -0.0005781100000000, -0.0007891400000000, -0.0004958700000000 ] - [ 0.0003637400000000, -0.0000804100000000, 0.0004609700000000 ] - [ 0.0002053700000000, -0.0003863700000000, -0.0001033600000000 ] - [ 0.0003868600000000, 0.0005130800000000, 0.0001075500000000 ] - [ 0.0002719200000000, 0.0005032500000000, 0.0005955300000000 ] - [ -0.0005705200000000, -0.0002133500000000, -0.0000695800000000 ] - [ -0.0004674100000000, -0.0007693400000000, -0.0005021000000000 ] - [ -0.0003005900000000, 0.0003207500000000, -0.0007780400000000 ] - [ -0.0000728800000000, 0.0004524600000000, 0.0001129900000000 ] - [ 0.0003147000000000, -0.0001492400000000, -0.0002334300000000 ] - [ 0.0007356200000000, 0.0008639800000000, -0.0009179200000000 ] - [ 0.0002102600000000, -0.0002603700000000, -0.0005221100000000 ] - [ 0.0001615500000000, -0.0001969500000000, -0.0003336900000000 ] - [ 0.0000676000000000, -0.0001380400000000, 0.0010933500000000 ] - [ 0.0001641000000000, 0.0003003100000000, 0.0005526800000000 ] - [ 0.0003620100000000, 0.0002173600000000, 0.0002579300000000 ] - [ 0.0002235700000000, -0.0001298700000000, 0.0009625100000000 ] - [ -0.0301727800000000, -0.0259738000000000, 0.0178041000000000 ] - [ 0.0004899800000000, 0.0003784500000000, 0.0005858400000000 ] - [ -0.0009881800000000, -0.0004051500000000, -0.0001415300000000 ] - [ -0.0001393700000000, -0.0006138300000000, 0.0003513400000000 ] - [ -0.0013047700000000, 0.0006948900000000, -0.0003136200000000 ] - [ 0.0007122100000000, -0.0001169000000000, -0.0001017200000000 ] - [ -0.0003981600000000, -0.0005057100000000, -0.0005121600000000 ] - [ 0.0005482800000000, 0.0002022800000000, 0.0000556500000000 ] - [ 0.0007232200000000, -0.0002144600000000, 0.0011814300000000 ] - [ 0.0016153400000000, -0.0021042000000000, -0.0010294000000000 ] - [ 0.0005350800000000, 0.0001381300000000, -0.0002677400000000 ] - [ -0.0006545400000000, 0.0000028000000000, -0.0000559500000000 ] - [ 0.0000425700000000, 0.0005615300000000, -0.0002310100000000 ] - [ 0.0005739700000000, 0.0009945100000000, -0.0005948200000000 ] - [ 0.0004602100000000, -0.0005942400000000, -0.0004700500000000 ] - [ 0.0011434500000000, 0.0003181900000000, 0.0002785900000000 ] - [ 0.0009533200000000, 0.0001619000000000, 0.0001103500000000 ] - [ -0.0003017700000000, -0.0003582300000000, 0.0008500600000000 ] - [ 0.0001125100000000, 0.0004090200000000, 0.0009785900000000 ] - [ -0.0000596100000000, 0.0001201400000000, 0.0004632200000000 ] - [ 0.0005738200000000, -0.0005248100000000, 0.0004602700000000 ] - [ -0.0001266000000000, -0.0001245500000000, 0.0003269400000000 ] - [ 0.0006220500000000, 0.0019093400000000, 0.0023004000000000 ] - [ -0.0002506500000000, 0.0000049900000000, 0.0001336900000000 ] - [ 0.0004990600000000, 0.0006817200000000, -0.0002191000000000 ] - [ -0.0003304400000000, 0.0005730200000000, -0.0003753300000000 ] - [ 0.0001307200000000, -0.0010243400000000, -0.0000992400000000 ] - [ -0.0004343300000000, -0.0006134400000000, -0.0005115700000000 ] - [ 0.0039613500000000, -0.0000971500000000, -0.0026845500000000 ] - [ -0.0013085100000000, -0.0000959000000000, 0.0004048800000000 ] - [ 0.0589005900000000, 0.0264142300000000, -0.0084106900000000 ] - [ -0.0010811500000000, -0.0005199500000000, -0.0001277300000000 ] - [ -0.0005009500000000, 0.0002460100000000, 0.0005322800000000 ] - [ -0.0008789400000000, 0.0003518600000000, 0.0003153900000000 ] - [ -0.0001838900000000, 0.0005992400000000, 0.0001310500000000 ] - [ -0.0006093100000000, 0.0004793400000000, -0.0000967800000000 ] - [ 0.0004885300000000, 0.0001660400000000, 0.0015668900000000 ] - [ -0.0007446000000000, -0.0000998100000000, 0.0007985100000000 ] - [ 0.0051153500000000, 0.0031538300000000, -0.0006387300000000 ] - [ -0.0007559500000000, 0.0000884100000000, 0.0006308500000000 ] - [ -0.0000248700000000, -0.0000981000000000, -0.0008260200000000 ] - [ -0.0006246900000000, -0.0018343200000000, -0.0010682300000000 ] - [ 0.0001235900000000, 0.0000824400000000, -0.0008940400000000 ] - [ 0.0004793300000000, 0.0000129900000000, -0.0006353300000000 ] - [ 0.0003414200000000, -0.0006789300000000, -0.0001025600000000 ] - [ 0.0005140400000000, -0.0004897900000000, 0.0001969600000000 ] - [ 0.0005777500000000, -0.0001420300000000, -0.0005340700000000 ] - [ 0.0004798100000000, -0.0007954200000000, 0.0002119700000000 ] - [ 0.0001336100000000, 0.0005439400000000, 0.0002839500000000 ] - [ -0.0003824800000000, -0.0003797700000000, -0.0016498900000000 ] - [ 0.0004547200000000, 0.0002676900000000, -0.0001769100000000 ] - [ 0.0009986700000000, -0.0000990100000000, -0.0006527700000000 ] - [ -0.0021674800000000, -0.0002771200000000, -0.0005130800000000 ] - [ -0.0000434400000000, 0.0011327900000000, 0.0000019500000000 ] - [ 0.0001072300000000, -0.0005202100000000, 0.0005191500000000 ] - [ 0.0001912900000000, -0.0003334200000000, 0.0005646900000000 ] - [ -0.0021588400000000, -0.0002832200000000, -0.0000699600000000 ] - [ -0.0026009200000000, -0.0000880700000000, 0.0000036200000000 ] - [ -0.0000953000000000, -0.0000107500000000, -0.0001585700000000 ] - [ -0.0000042700000000, -0.0000971200000000, -0.0001618700000000 ] - [ -0.0011027100000000, -0.0013067500000000, -0.0021147300000000 ] - [ -0.0015664800000000, -0.0000856800000000, -0.0000697200000000 ] - [ -0.0009250300000000, 0.0002487400000000, 0.0002424500000000 ] - [ -0.0002861400000000, 0.0002847800000000, -0.0008052800000000 ]- atom: 79 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0010814500000000, -0.0008689400000000, -0.0007528800000000 ] - [ -0.0001128500000000, 0.0000408800000000, -0.0007336100000000 ] - [ 0.0000017000000000, 0.0000703100000000, -0.0005279000000000 ] - [ -0.0000882200000000, -0.0001070800000000, -0.0007977000000000 ] - [ -0.0005600000000000, -0.0000892000000000, -0.0007318400000000 ] - [ -0.0001209200000000, 0.0001971200000000, 0.0004332300000000 ] - [ -0.0006475400000000, 0.0007436700000000, 0.0007203400000000 ] - [ -0.0001307600000000, -0.0001676800000000, 0.0004637700000000 ] - [ -0.0035169700000000, 0.0045299600000000, 0.0016415400000000 ] - [ 0.0004051500000000, -0.0005845900000000, 0.0003443700000000 ] - [ 0.0004404600000000, 0.0004421100000000, 0.0004709800000000 ] - [ 0.0005000100000000, 0.0005112500000000, 0.0003071300000000 ] - [ 0.0011818600000000, 0.0020024700000000, 0.0043325000000000 ] - [ -0.0002971600000000, -0.0004428200000000, -0.0001852000000000 ] - [ -0.0007871600000000, -0.0001831400000000, 0.0001220600000000 ] - [ -0.0002910300000000, 0.0004366500000000, -0.0001860700000000 ] - [ 0.0007257000000000, -0.0014013900000000, 0.0015702400000000 ] - [ 0.0000071800000000, -0.0000031500000000, 0.0008678900000000 ] - [ -0.0000997500000000, 0.0000162000000000, 0.0010644500000000 ] - [ 0.0000711900000000, -0.0000313100000000, 0.0008441100000000 ] - [ -0.0004443300000000, -0.0003957900000000, 0.0005233900000000 ] - [ -0.0003707800000000, -0.0002846600000000, 0.0005187200000000 ] - [ -0.0003552100000000, 0.0030512100000000, -0.0010146300000000 ] - [ -0.0004111800000000, 0.0002968300000000, 0.0005315500000000 ] - [ 0.0003149300000000, -0.0002451100000000, -0.0004236600000000 ] - [ 0.0049100500000000, 0.0029124400000000, 0.0010244300000000 ] - [ 0.0003388800000000, 0.0001929900000000, -0.0004762800000000 ] - [ 0.0004109600000000, 0.0001241800000000, -0.0004486800000000 ] - [ -0.0001510200000000, 0.0001113300000000, -0.0008283400000000 ] - [ -0.0000137000000000, 0.0002306300000000, -0.0007473800000000 ] - [ -0.0004115200000000, 0.0000026700000000, -0.0005453200000000 ] - [ 0.0009370800000000, -0.0007090200000000, -0.0004151100000000 ] - [ 0.0006690700000000, -0.0010843800000000, -0.0001760700000000 ] - [ 0.0002772200000000, -0.0009139800000000, 0.0003940800000000 ] - [ 0.0003432900000000, 0.0005975800000000, 0.0001418800000000 ] - [ 0.0002887600000000, 0.0005433300000000, -0.0001779900000000 ] - [ -0.0003035900000000, -0.0009144100000000, -0.0003910000000000 ] - [ -0.0004955600000000, -0.0006557800000000, -0.0002791400000000 ] - [ -0.0004270700000000, 0.0011566900000000, -0.0000818000000000 ] - [ -0.0005324000000000, 0.0008934200000000, -0.0002802900000000 ] - [ 0.0004734400000000, 0.0004920900000000, -0.0005325700000000 ] - [ -0.0006276800000000, 0.0001191300000000, -0.0002682100000000 ] - [ 0.0001864400000000, -0.0003537600000000, -0.0004285300000000 ] - [ 0.0000894800000000, -0.0003560100000000, -0.0005060900000000 ] - [ 0.0003822900000000, 0.0005937100000000, 0.0008406900000000 ] - [ 0.0000134100000000, 0.0002743200000000, 0.0008271500000000 ] - [ -0.0000732000000000, -0.0005339000000000, 0.0011323200000000 ] - [ 0.0001387600000000, -0.0003009100000000, 0.0008023800000000 ] - [ 0.0235320800000000, 0.0414878100000000, -0.0213944700000000 ] - [ -0.0003728600000000, 0.0007371700000000, 0.0003651900000000 ] - [ -0.0004410100000000, -0.0004147800000000, 0.0004789700000000 ] - [ -0.0002705700000000, -0.0005643200000000, 0.0003321600000000 ] - [ 0.0006516600000000, -0.0034687500000000, 0.0017773000000000 ] - [ 0.0001671900000000, -0.0001281800000000, 0.0000773700000000 ] - [ -0.0001460800000000, -0.0019844300000000, -0.0001161500000000 ] - [ 0.0001384500000000, 0.0000690800000000, 0.0000097700000000 ] - [ -0.0008226100000000, 0.0011222400000000, -0.0003415900000000 ] - [ 0.0004398000000000, 0.0006395200000000, 0.0001395300000000 ] - [ -0.0008964000000000, 0.0000467000000000, 0.0004625500000000 ] - [ 0.0004354500000000, 0.0002049700000000, 0.0004581800000000 ] - [ 0.0008857700000000, 0.0006017700000000, -0.0001639900000000 ] - [ 0.0001912600000000, 0.0001983700000000, -0.0002644600000000 ] - [ 0.0006971300000000, -0.0009405700000000, -0.0002857000000000 ] - [ -0.0003884100000000, -0.0013239400000000, -0.0014949600000000 ] - [ -0.0008603400000000, 0.0015880400000000, 0.0003451500000000 ] - [ 0.0005091900000000, -0.0001497100000000, 0.0004717700000000 ] - [ 0.0000252000000000, 0.0006664100000000, 0.0007722300000000 ] - [ 0.0004012300000000, 0.0002970600000000, 0.0006748300000000 ] - [ -0.0003368800000000, 0.0009416300000000, -0.0001758700000000 ] - [ 0.0001163200000000, 0.0000119300000000, 0.0002768300000000 ] - [ -0.0011206400000000, 0.0009579500000000, 0.0035822400000000 ] - [ 0.0002012800000000, 0.0000554000000000, 0.0002899100000000 ] - [ -0.0005272300000000, 0.0008488300000000, -0.0019237300000000 ] - [ -0.0001269900000000, 0.0005343300000000, -0.0004658900000000 ] - [ -0.0003112800000000, 0.0006335600000000, -0.0013202200000000 ] - [ -0.0000296600000000, -0.0004748000000000, -0.0004626000000000 ] - [ -0.0011082100000000, 0.0067339400000000, 0.0008595700000000 ] - [ -0.0003746400000000, -0.0003600600000000, 0.0002951800000000 ] - [ -0.0260733800000000, -0.0629063100000000, 0.0143861400000000 ] - [ -0.0003693200000000, -0.0005723500000000, -0.0000890800000000 ] - [ -0.0006394400000000, -0.0001261900000000, 0.0002029600000000 ] - [ -0.0007064200000000, 0.0002562800000000, 0.0003389800000000 ] - [ -0.0003084900000000, 0.0006753700000000, -0.0004630700000000 ] - [ -0.0004111400000000, 0.0005381900000000, -0.0001083600000000 ] - [ -0.0002548200000000, -0.0003461000000000, 0.0013510200000000 ] - [ -0.0002688700000000, -0.0000751700000000, 0.0008859200000000 ] - [ -0.0020764600000000, 0.0002650400000000, -0.0042225100000000 ] - [ -0.0002671100000000, 0.0000810500000000, 0.0007718500000000 ] - [ 0.0001964800000000, -0.0000059700000000, -0.0007784200000000 ] - [ 0.0025152000000000, 0.0029365600000000, -0.0003638400000000 ] - [ 0.0001499600000000, 0.0000924900000000, -0.0008793100000000 ] - [ 0.0002759600000000, 0.0001693400000000, -0.0008732200000000 ] - [ 0.0002110300000000, -0.0001821700000000, 0.0001133600000000 ] - [ 0.0003982200000000, -0.0002411200000000, 0.0000587700000000 ] - [ 0.0005818100000000, -0.0005585500000000, -0.0003677600000000 ] - [ 0.0011020900000000, -0.0001087600000000, -0.0007777300000000 ] - [ 0.0003426000000000, 0.0004358500000000, 0.0000228800000000 ] - [ 0.0013473500000000, 0.0006486500000000, 0.0016933000000000 ] - [ 0.0006860200000000, 0.0006396800000000, -0.0004054000000000 ] - [ 0.0003295600000000, 0.0011093300000000, -0.0001518400000000 ] - [ 0.0024478400000000, 0.0014399700000000, 0.0013980300000000 ] - [ -0.0003055600000000, 0.0008847000000000, 0.0004663300000000 ] - [ 0.0001204600000000, -0.0009415500000000, 0.0002722400000000 ] - [ -0.0000178400000000, -0.0010430400000000, 0.0002070100000000 ] - [ -0.0003179700000000, -0.0013490500000000, -0.0003445000000000 ] - [ 0.0002660500000000, -0.0009103400000000, -0.0003907200000000 ] - [ -0.0001464900000000, 0.0005146000000000, -0.0005624800000000 ] - [ -0.0002409400000000, 0.0004501400000000, -0.0005112200000000 ] - [ 0.0006680900000000, -0.0001507800000000, 0.0002894400000000 ] - [ -0.0005004700000000, -0.0002887500000000, -0.0005408200000000 ] - [ 0.0007237900000000, -0.0000112100000000, -0.0013524500000000 ] - [ -0.0004722200000000, 0.0001568800000000, -0.0005175400000000 ]- atom: 79 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0008881400000000, 0.0012223700000000, -0.0007954400000000 ] - [ -0.0000875700000000, 0.0003074500000000, -0.0008143700000000 ] - [ -0.0002027500000000, -0.0004178900000000, -0.0010187300000000 ] - [ -0.0001127300000000, -0.0002404600000000, -0.0007502300000000 ] - [ 0.0003070200000000, 0.0005918700000000, 0.0016804900000000 ] - [ -0.0001307500000000, 0.0003094600000000, 0.0005126000000000 ] - [ 0.0003957400000000, -0.0012518300000000, 0.0002258700000000 ] - [ -0.0001211200000000, -0.0003392800000000, 0.0004832900000000 ] - [ 0.0042474300000000, -0.0056149300000000, -0.0009476300000000 ] - [ 0.0005434800000000, -0.0006038500000000, 0.0002867800000000 ] - [ 0.0005064800000000, 0.0007496800000000, 0.0001612900000000 ] - [ 0.0004463000000000, 0.0006812900000000, 0.0003233900000000 ] - [ -0.0017631600000000, -0.0029881700000000, -0.0046298200000000 ] - [ -0.0002849400000000, -0.0005756300000000, -0.0001599100000000 ] - [ 0.0002018300000000, 0.0012002600000000, -0.0004684500000000 ] - [ -0.0002922800000000, 0.0005809000000000, -0.0001584500000000 ] - [ -0.0005720400000000, 0.0015045800000000, 0.0000812100000000 ] - [ 0.0001523600000000, 0.0001089900000000, 0.0007925500000000 ] - [ 0.0002584200000000, -0.0001258400000000, 0.0005963200000000 ] - [ 0.0000892300000000, -0.0000787400000000, 0.0008163700000000 ] - [ -0.0003168200000000, -0.0000829400000000, 0.0004816800000000 ] - [ -0.0003879300000000, -0.0001914000000000, 0.0004854500000000 ] - [ -0.0004134300000000, -0.0025780900000000, 0.0020265500000000 ] - [ -0.0003477100000000, 0.0001798400000000, 0.0004733300000000 ] - [ 0.0004446800000000, -0.0002287400000000, -0.0005801100000000 ] - [ -0.0040637000000000, -0.0033895200000000, -0.0020106400000000 ] - [ 0.0004212900000000, 0.0002837400000000, -0.0005280500000000 ] - [ 0.0003485300000000, 0.0003519800000000, -0.0005560400000000 ] - [ -0.0000033000000000, -0.0000090400000000, -0.0008317600000000 ] - [ -0.0001437400000000, -0.0001231700000000, -0.0009140500000000 ] - [ 0.0002533400000000, -0.0001077000000000, -0.0011143900000000 ] - [ -0.0010993200000000, 0.0005996200000000, -0.0012459900000000 ] - [ -0.0000844800000000, 0.0000652500000000, 0.0005173500000000 ] - [ 0.0003059900000000, -0.0001031600000000, -0.0000505900000000 ] - [ 0.0002387500000000, 0.0004209400000000, 0.0002021900000000 ] - [ 0.0002941300000000, 0.0004753800000000, 0.0005240800000000 ] - [ -0.0006421700000000, -0.0002779200000000, -0.0002398700000000 ] - [ -0.0004520400000000, -0.0005358500000000, -0.0003518000000000 ] - [ -0.0005182500000000, 0.0000325100000000, -0.0005482100000000 ] - [ -0.0004121600000000, 0.0002973300000000, -0.0003478500000000 ] - [ -0.0002198000000000, 0.0000175400000000, -0.0004146500000000 ] - [ 0.0008783900000000, 0.0003900300000000, -0.0006783600000000 ] - [ 0.0000652500000000, -0.0001519100000000, -0.0005196400000000 ] - [ 0.0001625300000000, -0.0001501300000000, -0.0004395500000000 ] - [ -0.0001821700000000, -0.0002458600000000, 0.0007058600000000 ] - [ 0.0001869900000000, 0.0000737900000000, 0.0007188300000000 ] - [ 0.0002782900000000, 0.0001880900000000, 0.0004142400000000 ] - [ 0.0000619800000000, -0.0000475900000000, 0.0007463600000000 ] - [ -0.0252090300000000, -0.0417605800000000, 0.0231072400000000 ] - [ -0.0002503400000000, 0.0004329700000000, 0.0003614000000000 ] - [ -0.0001877500000000, -0.0007556200000000, 0.0002415400000000 ] - [ -0.0003540200000000, -0.0006070800000000, 0.0003926300000000 ] - [ -0.0001264500000000, 0.0032341700000000, -0.0017518100000000 ] - [ 0.0003489800000000, -0.0000975200000000, -0.0000832400000000 ] - [ 0.0006635700000000, 0.0022201600000000, 0.0001077200000000 ] - [ 0.0003765100000000, 0.0001570100000000, -0.0000147400000000 ] - [ 0.0003079100000000, -0.0013505200000000, 0.0003430900000000 ] - [ -0.0009472300000000, -0.0008757700000000, -0.0001362000000000 ] - [ 0.0003834300000000, 0.0001790300000000, -0.0004574400000000 ] - [ -0.0009532600000000, 0.0000203200000000, -0.0004538300000000 ] - [ -0.0002585900000000, 0.0005707800000000, -0.0005588400000000 ] - [ 0.0004341100000000, 0.0009741200000000, -0.0004615500000000 ] - [ -0.0000717400000000, -0.0002300300000000, -0.0004402900000000 ] - [ 0.0010142700000000, 0.0001603400000000, 0.0007644500000000 ] - [ 0.0013296100000000, -0.0020065800000000, 0.0008161000000000 ] - [ -0.0000263600000000, -0.0002725600000000, 0.0006923700000000 ] - [ 0.0004587000000000, -0.0002459300000000, 0.0003894600000000 ] - [ 0.0000824200000000, 0.0001244500000000, 0.0004884000000000 ] - [ 0.0004946200000000, -0.0011702300000000, 0.0007581800000000 ] - [ 0.0000456800000000, -0.0002492200000000, 0.0003146100000000 ] - [ 0.0012799300000000, -0.0007391100000000, -0.0029983100000000 ] - [ -0.0000395000000000, 0.0001810200000000, 0.0003002400000000 ] - [ 0.0002517600000000, 0.0003804800000000, 0.0010514100000000 ] - [ -0.0001448900000000, 0.0007030800000000, -0.0004001200000000 ] - [ 0.0000423500000000, -0.0018772100000000, 0.0004619300000000 ] - [ -0.0002419200000000, -0.0007621700000000, -0.0004045800000000 ] - [ -0.0003339700000000, -0.0075127200000000, -0.0001504000000000 ] - [ -0.0010457000000000, -0.0003109000000000, 0.0003902300000000 ] - [ 0.0264296600000000, 0.0634039300000000, -0.0157375400000000 ] - [ -0.0004708900000000, -0.0003639000000000, -0.0000959800000000 ] - [ -0.0007809500000000, 0.0007972000000000, 0.0004825200000000 ] - [ -0.0007146300000000, 0.0004154800000000, 0.0003461600000000 ] - [ -0.0005300400000000, 0.0002617100000000, 0.0002802000000000 ] - [ -0.0004292700000000, 0.0003977400000000, -0.0000764900000000 ] - [ -0.0003025600000000, 0.0001772600000000, 0.0002804500000000 ] - [ -0.0002916300000000, -0.0000977000000000, 0.0007401800000000 ] - [ 0.0015259100000000, -0.0000936700000000, 0.0058832200000000 ] - [ -0.0002938300000000, 0.0000920500000000, 0.0008521100000000 ] - [ 0.0003627700000000, -0.0001673800000000, -0.0008465800000000 ] - [ -0.0019316800000000, -0.0030985300000000, -0.0012580200000000 ] - [ 0.0004089900000000, 0.0000812300000000, -0.0007473200000000 ] - [ 0.0002844500000000, 0.0000041200000000, -0.0007523100000000 ] - [ 0.0006272600000000, -0.0007530300000000, 0.0000711000000000 ] - [ 0.0004421200000000, -0.0006942000000000, 0.0001261400000000 ] - [ 0.0008383400000000, -0.0001138100000000, -0.0003158300000000 ] - [ 0.0003184800000000, -0.0005649500000000, 0.0000943300000000 ] - [ 0.0004966100000000, 0.0004994200000000, 0.0001614200000000 ] - [ -0.0005129700000000, 0.0002762500000000, -0.0015112800000000 ] - [ 0.0007344200000000, 0.0000317300000000, -0.0002790000000000 ] - [ 0.0010926800000000, -0.0004381400000000, -0.0005313800000000 ] - [ -0.0021806200000000, -0.0001981400000000, -0.0005327500000000 ] - [ 0.0005758400000000, 0.0003553300000000, 0.0003972500000000 ] - [ 0.0001503200000000, -0.0002955700000000, 0.0005946800000000 ] - [ 0.0002896700000000, -0.0001922100000000, 0.0006611500000000 ] - [ 0.0001646500000000, 0.0011151800000000, -0.0002488600000000 ] - [ -0.0004406900000000, 0.0006730900000000, -0.0001990200000000 ] - [ -0.0000168900000000, -0.0002779800000000, -0.0000296700000000 ] - [ 0.0000786300000000, -0.0002149100000000, -0.0000787400000000 ] - [ -0.0011626900000000, -0.0002712600000000, -0.0014623400000000 ] - [ 0.0000142400000000, -0.0001324400000000, -0.0006222400000000 ] - [ -0.0012105800000000, 0.0004336200000000, 0.0001912900000000 ] - [ -0.0000104300000000, 0.0002650400000000, -0.0006480000000000 ]- atom: 79 displacement: [ -0.0007714822112317, 0.0000000000000000, 0.0099701963470011 ] forces: - [ 0.0000335400000000, 0.0006481800000000, -0.0004139600000000 ] - [ -0.0000526400000000, 0.0001580800000000, -0.0007276700000000 ] - [ -0.0002674800000000, -0.0002152600000000, -0.0014046400000000 ] - [ -0.0001447400000000, -0.0001707500000000, -0.0008272700000000 ] - [ -0.0001744200000000, -0.0010057200000000, 0.0005637000000000 ] - [ -0.0000473200000000, 0.0001588200000000, 0.0005362200000000 ] - [ 0.0003768600000000, -0.0003827800000000, -0.0003781900000000 ] - [ -0.0001656700000000, -0.0002809700000000, 0.0004360700000000 ] - [ -0.0035236500000000, 0.0018069200000000, 0.0039918800000000 ] - [ 0.0005693800000000, -0.0004838800000000, 0.0003771400000000 ] - [ 0.0003498000000000, 0.0004654300000000, 0.0000019100000000 ] - [ 0.0004485100000000, 0.0005950400000000, 0.0002593800000000 ] - [ 0.0028566200000000, 0.0022359000000000, 0.0164775800000000 ] - [ -0.0002066400000000, -0.0004241000000000, -0.0001419800000000 ] - [ 0.0005535100000000, 0.0011872400000000, -0.0007692400000000 ] - [ -0.0003181200000000, 0.0005266300000000, -0.0002002500000000 ] - [ -0.0000556400000000, 0.0002524600000000, 0.0010938200000000 ] - [ 0.0001410800000000, 0.0000542200000000, 0.0008814500000000 ] - [ 0.0003627100000000, -0.0000172200000000, 0.0004644000000000 ] - [ 0.0000433800000000, -0.0000503000000000, 0.0007640000000000 ] - [ -0.0003422800000000, -0.0004979500000000, 0.0004107800000000 ] - [ -0.0004173300000000, -0.0002290500000000, 0.0004563300000000 ] - [ 0.0003197900000000, 0.0009284700000000, 0.0096289000000000 ] - [ -0.0003411400000000, 0.0002754700000000, 0.0005572300000000 ] - [ 0.0003651600000000, -0.0001458400000000, -0.0004625900000000 ] - [ 0.0052550800000000, 0.0012458700000000, 0.0035028500000000 ] - [ 0.0003945900000000, 0.0002548100000000, -0.0005696700000000 ] - [ 0.0004336400000000, 0.0002183900000000, -0.0006242000000000 ] - [ -0.0001223700000000, 0.0000754500000000, -0.0009454900000000 ] - [ 0.0001191600000000, 0.0001914600000000, -0.0011520800000000 ] - [ 0.0000729700000000, -0.0001492300000000, -0.0008992000000000 ] - [ -0.0006636700000000, 0.0002850600000000, -0.0003297600000000 ] - [ 0.0000229800000000, -0.0002377800000000, 0.0004136700000000 ] - [ 0.0002112200000000, -0.0004598700000000, 0.0001670100000000 ] - [ 0.0004591200000000, 0.0005779400000000, 0.0000749000000000 ] - [ 0.0003141200000000, 0.0004774500000000, -0.0001840700000000 ] - [ -0.0005870700000000, -0.0008519100000000, -0.0005920100000000 ] - [ -0.0004041200000000, -0.0006601500000000, -0.0004457200000000 ] - [ -0.0000344700000000, 0.0007226900000000, -0.0001017200000000 ] - [ -0.0007911100000000, 0.0006850800000000, -0.0000768400000000 ] - [ -0.0001600600000000, 0.0002058200000000, -0.0003747400000000 ] - [ 0.0005853800000000, 0.0005907000000000, -0.0004402500000000 ] - [ 0.0003070100000000, -0.0003434700000000, -0.0005137000000000 ] - [ 0.0001277500000000, -0.0002672300000000, -0.0006202700000000 ] - [ -0.0003764500000000, 0.0002010400000000, 0.0003368700000000 ] - [ 0.0001896800000000, 0.0001767700000000, 0.0006129300000000 ] - [ 0.0003658600000000, -0.0000753900000000, 0.0006976100000000 ] - [ 0.0000132200000000, -0.0001909400000000, 0.0009109800000000 ] - [ -0.0158166500000000, -0.0214103300000000, 0.0236107300000000 ] - [ -0.0001658900000000, 0.0004859700000000, 0.0005343500000000 ] - [ -0.0010777300000000, -0.0005151800000000, -0.0012777700000000 ] - [ -0.0003741000000000, -0.0005929200000000, 0.0001675400000000 ] - [ -0.0000413100000000, 0.0025516200000000, -0.0001303700000000 ] - [ 0.0003070000000000, -0.0001140200000000, 0.0000843200000000 ] - [ -0.0005584700000000, -0.0017010100000000, -0.0013370200000000 ] - [ 0.0001602100000000, 0.0001323900000000, -0.0000488200000000 ] - [ -0.0010717400000000, -0.0006813800000000, 0.0020221800000000 ] - [ 0.0012227600000000, -0.0008490200000000, 0.0005643200000000 ] - [ 0.0001677600000000, 0.0000732000000000, -0.0006144000000000 ] - [ -0.0009131700000000, 0.0001852700000000, -0.0007295700000000 ] - [ -0.0001066200000000, 0.0006532400000000, -0.0007426100000000 ] - [ 0.0004399500000000, 0.0010085800000000, -0.0007241300000000 ] - [ 0.0008730100000000, -0.0006613700000000, -0.0000495400000000 ] - [ 0.0002201600000000, -0.0015366100000000, 0.0010598100000000 ] - [ 0.0009992400000000, -0.0009607200000000, 0.0001372200000000 ] - [ 0.0001671300000000, -0.0002558800000000, 0.0005411600000000 ] - [ -0.0003965700000000, 0.0006254900000000, 0.0016976700000000 ] - [ 0.0004074500000000, 0.0002717200000000, 0.0006962200000000 ] - [ 0.0003300200000000, -0.0004899100000000, 0.0005895800000000 ] - [ 0.0000137200000000, -0.0001125500000000, 0.0002861300000000 ] - [ -0.0011551600000000, 0.0033564200000000, 0.0041361700000000 ] - [ 0.0001695600000000, 0.0000862300000000, 0.0002519500000000 ] - [ 0.0001781600000000, -0.0005835800000000, 0.0012686700000000 ] - [ -0.0001693000000000, 0.0005769900000000, -0.0004123800000000 ] - [ -0.0003232600000000, -0.0007240000000000, -0.0005400500000000 ] - [ -0.0000614500000000, -0.0005870300000000, -0.0004238700000000 ] - [ 0.0020298100000000, -0.0007394700000000, -0.0031307500000000 ] - [ -0.0008701500000000, -0.0002464300000000, 0.0002894600000000 ] - [ 0.0089510300000000, 0.0168774700000000, -0.0666635900000000 ] - [ -0.0004413000000000, -0.0004670300000000, -0.0002121600000000 ] - [ -0.0007969300000000, 0.0001522000000000, 0.0011684000000000 ] - [ -0.0006931500000000, 0.0003222400000000, 0.0004312300000000 ] - [ -0.0005662300000000, 0.0008445500000000, 0.0010887900000000 ] - [ -0.0004249300000000, 0.0004831900000000, 0.0000126500000000 ] - [ 0.0001087000000000, 0.0006697700000000, 0.0030322900000000 ] - [ -0.0002630900000000, -0.0000964500000000, 0.0009062300000000 ] - [ -0.0013887900000000, -0.0052680900000000, 0.0074217400000000 ] - [ -0.0003691400000000, 0.0000915000000000, 0.0007099200000000 ] - [ 0.0001844900000000, -0.0001865600000000, -0.0011081900000000 ] - [ -0.0007654600000000, -0.0009923700000000, -0.0019182000000000 ] - [ 0.0003346600000000, 0.0000814900000000, -0.0005144200000000 ] - [ 0.0003553700000000, 0.0000408500000000, -0.0003680800000000 ] - [ 0.0006099700000000, -0.0005030000000000, 0.0001112100000000 ] - [ 0.0003261700000000, -0.0004347200000000, 0.0001532800000000 ] - [ 0.0008650400000000, -0.0003604100000000, -0.0002296200000000 ] - [ 0.0002067200000000, -0.0008256600000000, 0.0000851900000000 ] - [ 0.0002040500000000, 0.0004031700000000, 0.0000215600000000 ] - [ 0.0021224900000000, 0.0019904700000000, 0.0006173500000000 ] - [ 0.0005522700000000, 0.0003917300000000, -0.0003006700000000 ] - [ 0.0009516400000000, 0.0001685000000000, -0.0006172700000000 ] - [ -0.0013810400000000, 0.0003708900000000, -0.0006619400000000 ] - [ 0.0001751400000000, 0.0009491100000000, -0.0001387400000000 ] - [ 0.0002343000000000, -0.0004355600000000, 0.0008961900000000 ] - [ 0.0002361800000000, -0.0003995500000000, 0.0008472500000000 ] - [ 0.0000494300000000, -0.0002011500000000, -0.0010450800000000 ] - [ -0.0007451300000000, -0.0002559600000000, -0.0008832300000000 ] - [ -0.0000156500000000, 0.0000274200000000, 0.0001004700000000 ] - [ 0.0000117300000000, -0.0000842100000000, -0.0000140700000000 ] - [ 0.0027642900000000, 0.0012087600000000, -0.0002851300000000 ] - [ -0.0009356300000000, -0.0002015700000000, -0.0004499600000000 ] - [ -0.0011697900000000, 0.0001520200000000, 0.0001644400000000 ] - [ 0.0000325000000000, 0.0001796600000000, -0.0005561300000000 ]- atom: 79 displacement: [ 0.0007714822112317, 0.0000000000000000, -0.0099701963470011 ] forces: - [ -0.0002369000000000, -0.0003021900000000, -0.0011328400000000 ] - [ -0.0001486700000000, 0.0001903400000000, -0.0008198300000000 ] - [ 0.0000680700000000, -0.0001308000000000, -0.0001403400000000 ] - [ -0.0000565800000000, -0.0001766600000000, -0.0007197200000000 ] - [ -0.0000759300000000, 0.0015204000000000, 0.0003804400000000 ] - [ -0.0002053300000000, 0.0003483300000000, 0.0004089500000000 ] - [ -0.0006269900000000, -0.0001225600000000, 0.0013274100000000 ] - [ -0.0000866200000000, -0.0002258900000000, 0.0005092100000000 ] - [ 0.0044521000000000, -0.0029849600000000, -0.0034114500000000 ] - [ 0.0003771500000000, -0.0007061200000000, 0.0002543500000000 ] - [ 0.0005978000000000, 0.0007259500000000, 0.0006301300000000 ] - [ 0.0004981500000000, 0.0005963200000000, 0.0003714300000000 ] - [ -0.0036352600000000, -0.0034082800000000, -0.0177030800000000 ] - [ -0.0003766200000000, -0.0005950400000000, -0.0002033300000000 ] - [ -0.0011347900000000, -0.0001725400000000, 0.0004287300000000 ] - [ -0.0002650800000000, 0.0004907100000000, -0.0001441800000000 ] - [ 0.0002174600000000, -0.0001489900000000, 0.0005691500000000 ] - [ 0.0000166200000000, 0.0000501100000000, 0.0007789500000000 ] - [ -0.0002058700000000, -0.0000883300000000, 0.0011971300000000 ] - [ 0.0001148400000000, -0.0000540000000000, 0.0008962200000000 ] - [ -0.0004174200000000, 0.0000226100000000, 0.0005931700000000 ] - [ -0.0003421000000000, -0.0002474100000000, 0.0005483000000000 ] - [ -0.0010142600000000, -0.0003606500000000, -0.0080397400000000 ] - [ -0.0004184500000000, 0.0002011800000000, 0.0004472700000000 ] - [ 0.0003930300000000, -0.0003291900000000, -0.0005415000000000 ] - [ -0.0045237000000000, -0.0017307000000000, -0.0045970200000000 ] - [ 0.0003649100000000, 0.0002211300000000, -0.0004346400000000 ] - [ 0.0003247800000000, 0.0002581300000000, -0.0003799000000000 ] - [ -0.0000349600000000, 0.0000270300000000, -0.0007145000000000 ] - [ -0.0002784500000000, -0.0000897400000000, -0.0005066700000000 ] - [ -0.0002329400000000, 0.0000476300000000, -0.0007591500000000 ] - [ 0.0005090200000000, -0.0003954400000000, -0.0013277800000000 ] - [ 0.0005607800000000, -0.0007824300000000, -0.0000716800000000 ] - [ 0.0003717400000000, -0.0005575100000000, 0.0001772200000000 ] - [ 0.0001237600000000, 0.0004411500000000, 0.0002699200000000 ] - [ 0.0002681500000000, 0.0005419500000000, 0.0005306700000000 ] - [ -0.0003588100000000, -0.0003404100000000, -0.0000391700000000 ] - [ -0.0005431000000000, -0.0005313900000000, -0.0001848600000000 ] - [ -0.0009142700000000, 0.0004695100000000, -0.0005276700000000 ] - [ -0.0001539500000000, 0.0005055700000000, -0.0005539300000000 ] - [ 0.0004129900000000, 0.0003023900000000, -0.0005716500000000 ] - [ -0.0003373900000000, -0.0000857000000000, -0.0005071100000000 ] - [ -0.0000543200000000, -0.0001630000000000, -0.0004304300000000 ] - [ 0.0001240100000000, -0.0002396600000000, -0.0003261500000000 ] - [ 0.0005806900000000, 0.0001494200000000, 0.0012127700000000 ] - [ 0.0000103400000000, 0.0001708300000000, 0.0009345200000000 ] - [ -0.0001649400000000, -0.0002742800000000, 0.0008515200000000 ] - [ 0.0001879000000000, -0.0001576900000000, 0.0006360500000000 ] - [ 0.0149229600000000, 0.0220650900000000, -0.0228338400000000 ] - [ -0.0004614800000000, 0.0006854400000000, 0.0001898400000000 ] - [ 0.0004588900000000, -0.0006590300000000, 0.0020099100000000 ] - [ -0.0002530200000000, -0.0005785000000000, 0.0005570500000000 ] - [ 0.0005675500000000, -0.0027999800000000, 0.0001300500000000 ] - [ 0.0002076200000000, -0.0001113300000000, -0.0000910800000000 ] - [ 0.0010676400000000, 0.0019247900000000, 0.0013392300000000 ] - [ 0.0003547800000000, 0.0000930100000000, 0.0000440200000000 ] - [ 0.0005573500000000, 0.0004556800000000, -0.0020324800000000 ] - [ -0.0017469200000000, 0.0006251500000000, -0.0005654100000000 ] - [ -0.0006872900000000, 0.0001520300000000, 0.0006248600000000 ] - [ 0.0003972400000000, 0.0000397100000000, 0.0007371900000000 ] - [ 0.0007382800000000, 0.0005179600000000, 0.0000182500000000 ] - [ 0.0001860600000000, 0.0001604100000000, 0.0000004800000000 ] - [ -0.0002450200000000, -0.0005106000000000, -0.0006737100000000 ] - [ 0.0004094600000000, 0.0003716100000000, -0.0017888500000000 ] - [ -0.0005220400000000, 0.0005420200000000, 0.0010337500000000 ] - [ 0.0003155100000000, -0.0001657900000000, 0.0006241100000000 ] - [ 0.0008774700000000, -0.0002011500000000, -0.0005314300000000 ] - [ 0.0000758300000000, 0.0001494900000000, 0.0004679200000000 ] - [ -0.0001715000000000, 0.0002576800000000, -0.0000027300000000 ] - [ 0.0001496800000000, -0.0001239200000000, 0.0003040300000000 ] - [ 0.0013164800000000, -0.0030947300000000, -0.0035246700000000 ] - [ -0.0000066700000000, 0.0001498600000000, 0.0003380500000000 ] - [ -0.0004516100000000, 0.0018248000000000, -0.0021474900000000 ] - [ -0.0001013600000000, 0.0006606400000000, -0.0004546300000000 ] - [ 0.0000519700000000, -0.0005116900000000, -0.0003315700000000 ] - [ -0.0002095300000000, -0.0006502100000000, -0.0004438300000000 ] - [ -0.0034417700000000, 0.0000758900000000, 0.0038195800000000 ] - [ -0.0005479200000000, -0.0004266900000000, 0.0003961000000000 ] - [ -0.0093596900000000, -0.0171927100000000, 0.0667528000000000 ] - [ -0.0003966200000000, -0.0004673100000000, 0.0000280300000000 ] - [ -0.0006233400000000, 0.0005215600000000, -0.0004871400000000 ] - [ -0.0007270800000000, 0.0003505000000000, 0.0002538900000000 ] - [ -0.0002738000000000, 0.0000876200000000, -0.0012770800000000 ] - [ -0.0004139000000000, 0.0004511800000000, -0.0001972800000000 ] - [ -0.0006737700000000, -0.0008457700000000, -0.0014207600000000 ] - [ -0.0002960600000000, -0.0000771000000000, 0.0007186300000000 ] - [ 0.0008267900000000, 0.0053662000000000, -0.0057239700000000 ] - [ -0.0001901000000000, 0.0000820100000000, 0.0009137800000000 ] - [ 0.0003753200000000, 0.0000133500000000, -0.0005161700000000 ] - [ 0.0013267700000000, 0.0008205000000000, 0.0003089600000000 ] - [ 0.0002242300000000, 0.0000922600000000, -0.0011108200000000 ] - [ 0.0002048600000000, 0.0001332700000000, -0.0012579200000000 ] - [ 0.0002279100000000, -0.0004301900000000, 0.0000745700000000 ] - [ 0.0005136400000000, -0.0004996300000000, 0.0000314800000000 ] - [ 0.0005544800000000, -0.0003134300000000, -0.0004546400000000 ] - [ 0.0012162400000000, 0.0001549100000000, -0.0007713900000000 ] - [ 0.0006357800000000, 0.0005306900000000, 0.0001618200000000 ] - [ -0.0012902200000000, -0.0010596200000000, -0.0004372200000000 ] - [ 0.0008686400000000, 0.0002815700000000, -0.0003851900000000 ] - [ 0.0004672800000000, 0.0005057000000000, -0.0000673700000000 ] - [ 0.0016655100000000, 0.0008731500000000, 0.0015363000000000 ] - [ 0.0000955400000000, 0.0002875800000000, 0.0010095200000000 ] - [ 0.0000358800000000, -0.0008031500000000, -0.0000310500000000 ] - [ 0.0000354200000000, -0.0008380400000000, 0.0000190900000000 ] - [ -0.0002019500000000, -0.0000340000000000, 0.0004591200000000 ] - [ 0.0005801900000000, 0.0000192800000000, 0.0002993400000000 ] - [ -0.0001482500000000, 0.0002108900000000, -0.0006930300000000 ] - [ -0.0001747200000000, 0.0003219000000000, -0.0005772200000000 ] - [ -0.0032608600000000, -0.0016322600000000, -0.0008757500000000 ] - [ 0.0004573700000000, -0.0002195400000000, -0.0007157200000000 ] - [ 0.0006934700000000, 0.0002701500000000, -0.0013357400000000 ] - [ -0.0005142000000000, 0.0002416900000000, -0.0006097300000000 ]- atom: 85 displacement: [ 0.0099872533903921, 0.0000000000000000, -0.0005047471803797 ] forces: - [ 0.0001546500000000, 0.0001648700000000, -0.0006383400000000 ] - [ -0.0003674100000000, 0.0001529500000000, -0.0008281100000000 ] - [ 0.0000700400000000, 0.0003289200000000, -0.0009627500000000 ] - [ -0.0004248800000000, -0.0001416700000000, -0.0007380500000000 ] - [ 0.0065367600000000, 0.0035823900000000, -0.0021523000000000 ] - [ -0.0005050900000000, 0.0003180600000000, 0.0004501000000000 ] - [ 0.0000766300000000, -0.0000518700000000, 0.0003339800000000 ] - [ -0.0003000800000000, -0.0002560300000000, 0.0004330000000000 ] - [ 0.0007445000000000, -0.0006109800000000, 0.0004353400000000 ] - [ 0.0001921100000000, -0.0005656600000000, 0.0002650000000000 ] - [ 0.0006728200000000, 0.0003422600000000, 0.0000163400000000 ] - [ 0.0001880600000000, 0.0005437300000000, 0.0003651500000000 ] - [ 0.0071957400000000, -0.0065649400000000, -0.0045822900000000 ] - [ -0.0006931900000000, -0.0005504700000000, -0.0001960900000000 ] - [ -0.0001289400000000, 0.0003023900000000, -0.0003209300000000 ] - [ -0.0004862100000000, 0.0005131700000000, -0.0002074200000000 ] - [ 0.0003210200000000, 0.0000071600000000, 0.0008327600000000 ] - [ -0.0001989100000000, 0.0000924500000000, 0.0008047800000000 ] - [ 0.0008351300000000, -0.0000727200000000, 0.0013455800000000 ] - [ -0.0003161200000000, -0.0000882900000000, 0.0008984300000000 ] - [ 0.0022517300000000, 0.0012920500000000, 0.0006857500000000 ] - [ -0.0006713100000000, -0.0002541300000000, 0.0005376700000000 ] - [ -0.0002416900000000, 0.0002904300000000, 0.0004655700000000 ] - [ -0.0005689400000000, 0.0002268300000000, 0.0004742200000000 ] - [ 0.0001011400000000, -0.0002002400000000, -0.0004984400000000 ] - [ 0.0006627800000000, -0.0002595000000000, -0.0005924900000000 ] - [ -0.0000071800000000, 0.0001880200000000, -0.0003818800000000 ] - [ 0.0008166300000000, 0.0010491000000000, 0.0006904200000000 ] - [ -0.0005801900000000, -0.0000230400000000, -0.0006905800000000 ] - [ 0.0024293300000000, 0.0007708700000000, -0.0021482000000000 ] - [ -0.0004616900000000, -0.0000641200000000, -0.0007800500000000 ] - [ 0.0002815800000000, -0.0000928300000000, -0.0009303300000000 ] - [ 0.0001421000000000, -0.0006201600000000, 0.0001704200000000 ] - [ 0.0003168900000000, -0.0003696400000000, -0.0001565400000000 ] - [ 0.0002619800000000, 0.0007872400000000, -0.0000269800000000 ] - [ 0.0004885500000000, 0.0004892700000000, 0.0002995300000000 ] - [ -0.0007096200000000, -0.0008622800000000, -0.0002747600000000 ] - [ -0.0015489700000000, -0.0000466800000000, -0.0002851800000000 ] - [ -0.0004457100000000, 0.0008722100000000, -0.0003230400000000 ] - [ -0.0004872600000000, 0.0005724400000000, -0.0004637400000000 ] - [ 0.0000103500000000, 0.0003641200000000, -0.0004712700000000 ] - [ 0.0001087000000000, 0.0001490800000000, -0.0008298600000000 ] - [ 0.0001329200000000, -0.0005220800000000, -0.0006436000000000 ] - [ 0.0001869500000000, -0.0002259200000000, -0.0003652900000000 ] - [ -0.0000492800000000, 0.0005146900000000, 0.0008318400000000 ] - [ -0.0006171400000000, -0.0000894700000000, 0.0008287500000000 ] - [ 0.0001649100000000, -0.0004784000000000, 0.0007629100000000 ] - [ 0.0000521800000000, -0.0001350300000000, 0.0006102300000000 ] - [ 0.0002228700000000, 0.0006305900000000, 0.0005930000000000 ] - [ -0.0008922900000000, 0.0005478000000000, 0.0000482200000000 ] - [ 0.0391347100000000, -0.0012218500000000, 0.0317358500000000 ] - [ -0.0008908700000000, -0.0005491000000000, 0.0003528200000000 ] - [ 0.0013995500000000, -0.0005444500000000, 0.0012692900000000 ] - [ -0.0002494800000000, -0.0001154800000000, -0.0001316900000000 ] - [ 0.0005951100000000, 0.0001546500000000, 0.0000262700000000 ] - [ -0.0001375200000000, 0.0001170700000000, 0.0000741000000000 ] - [ -0.0003197800000000, -0.0000947100000000, 0.0015671000000000 ] - [ -0.0013628400000000, -0.0002624300000000, -0.0017501700000000 ] - [ -0.0014576800000000, -0.0000223300000000, -0.0008770700000000 ] - [ -0.0000432700000000, 0.0003331800000000, 0.0010872000000000 ] - [ 0.0000686400000000, 0.0005971900000000, -0.0003638600000000 ] - [ -0.0000563400000000, 0.0005074300000000, 0.0015383100000000 ] - [ 0.0004256800000000, -0.0006347400000000, -0.0003881500000000 ] - [ 0.0002407500000000, -0.0005453100000000, -0.0005011600000000 ] - [ 0.0001699200000000, -0.0001595000000000, 0.0003486800000000 ] - [ 0.0007479500000000, -0.0001830800000000, 0.0006474500000000 ] - [ -0.0001241000000000, 0.0002123400000000, 0.0008647100000000 ] - [ 0.0006903500000000, 0.0002206800000000, 0.0002981400000000 ] - [ 0.0001381200000000, 0.0025028300000000, -0.0005533300000000 ] - [ 0.0006210500000000, -0.0000866300000000, 0.0003908900000000 ] - [ -0.0001627600000000, -0.0000419600000000, 0.0001988600000000 ] - [ 0.0002937600000000, 0.0001869500000000, 0.0003793200000000 ] - [ -0.0005938500000000, -0.0001030500000000, -0.0009083200000000 ] - [ 0.0004598900000000, 0.0006252400000000, -0.0003398800000000 ] - [ -0.0003816800000000, -0.0004731800000000, -0.0005280900000000 ] - [ 0.0000828800000000, -0.0007105600000000, -0.0003531900000000 ] - [ -0.0014399700000000, -0.0003852000000000, 0.0004212900000000 ] - [ -0.0003173500000000, -0.0003083000000000, 0.0004245200000000 ] - [ -0.0011404900000000, -0.0004739000000000, 0.0001218800000000 ] - [ 0.0000467400000000, -0.0004597200000000, -0.0000450600000000 ] - [ -0.0059713000000000, -0.0014859700000000, -0.0015731100000000 ] - [ -0.0001985400000000, 0.0003354100000000, 0.0003269700000000 ] - [ -0.0059680400000000, 0.0020047300000000, -0.0019496200000000 ] - [ 0.0000456400000000, 0.0004523300000000, -0.0001426300000000 ] - [ -0.0544698500000000, -0.0015060800000000, -0.0176143500000000 ] - [ 0.0002778100000000, -0.0000553900000000, 0.0008622800000000 ] - [ -0.0006873300000000, 0.0000973700000000, 0.0008178700000000 ] - [ 0.0001986500000000, 0.0000786400000000, 0.0010371500000000 ] - [ 0.0005337800000000, -0.0000972900000000, -0.0007445600000000 ] - [ 0.0000206200000000, -0.0000695800000000, -0.0007001500000000 ] - [ 0.0006429500000000, 0.0001130000000000, -0.0006945900000000 ] - [ -0.0007975200000000, 0.0000559300000000, -0.0015694500000000 ] - [ 0.0007257900000000, -0.0003834200000000, 0.0000365000000000 ] - [ 0.0012717500000000, -0.0026694500000000, -0.0008340000000000 ] - [ 0.0010454200000000, -0.0004244600000000, -0.0004294400000000 ] - [ 0.0014756400000000, 0.0015769900000000, -0.0011324000000000 ] - [ 0.0005779500000000, 0.0003421100000000, 0.0001466900000000 ] - [ 0.0002304700000000, 0.0004664700000000, 0.0001317300000000 ] - [ 0.0008661100000000, 0.0005363600000000, -0.0002618800000000 ] - [ 0.0005190200000000, 0.0002994100000000, -0.0002969800000000 ] - [ -0.0001243500000000, 0.0011398200000000, 0.0001045500000000 ] - [ 0.0006234600000000, -0.0004877500000000, 0.0015051100000000 ] - [ 0.0016940200000000, -0.0012861800000000, 0.0007599700000000 ] - [ 0.0006301900000000, -0.0005064600000000, -0.0006307000000000 ] - [ -0.0004031800000000, -0.0006346800000000, -0.0006206100000000 ] - [ 0.0005150300000000, 0.0010881500000000, 0.0007511500000000 ] - [ 0.0010792200000000, 0.0008533900000000, 0.0000436900000000 ] - [ 0.0001793200000000, 0.0000303300000000, -0.0009126800000000 ] - [ 0.0031677000000000, -0.0001674200000000, -0.0032564000000000 ] - [ 0.0008931600000000, -0.0002089800000000, -0.0004272600000000 ] - [ -0.0000189600000000, 0.0002907100000000, 0.0002785800000000 ] - [ 0.0000712900000000, 0.0001929400000000, -0.0007086500000000 ]- atom: 85 displacement: [ -0.0099872533903921, 0.0000000000000000, 0.0005047471803797 ] forces: - [ -0.0003595600000000, 0.0001841700000000, -0.0009087400000000 ] - [ 0.0001657500000000, 0.0001969700000000, -0.0007204500000000 ] - [ -0.0002716200000000, -0.0006784100000000, -0.0005859700000000 ] - [ 0.0002225200000000, -0.0002056800000000, -0.0008113200000000 ] - [ -0.0069558800000000, -0.0032438400000000, 0.0032560500000000 ] - [ 0.0002509100000000, 0.0001904500000000, 0.0004957200000000 ] - [ -0.0003312200000000, -0.0004586800000000, 0.0006128500000000 ] - [ 0.0000473300000000, -0.0002510100000000, 0.0005124900000000 ] - [ 0.0001987700000000, -0.0005796800000000, 0.0001957900000000 ] - [ 0.0007537700000000, -0.0006250800000000, 0.0003652700000000 ] - [ 0.0002735500000000, 0.0008488500000000, 0.0006120900000000 ] - [ 0.0007562700000000, 0.0006485600000000, 0.0002658100000000 ] - [ -0.0078513700000000, 0.0057431700000000, 0.0043647500000000 ] - [ 0.0001079400000000, -0.0004704700000000, -0.0001480700000000 ] - [ -0.0004552900000000, 0.0007181100000000, -0.0000253900000000 ] - [ -0.0000978200000000, 0.0005050300000000, -0.0001374100000000 ] - [ -0.0001598200000000, 0.0000947600000000, 0.0008294300000000 ] - [ 0.0003550000000000, 0.0000117000000000, 0.0008550900000000 ] - [ -0.0006701300000000, -0.0000292600000000, 0.0003119600000000 ] - [ 0.0004729000000000, -0.0000219700000000, 0.0007621000000000 ] - [ -0.0029886400000000, -0.0017168800000000, 0.0003223700000000 ] - [ -0.0000900700000000, -0.0002231900000000, 0.0004666500000000 ] - [ -0.0005155500000000, 0.0001869500000000, 0.0005419100000000 ] - [ -0.0001914600000000, 0.0002493400000000, 0.0005298300000000 ] - [ 0.0006581700000000, -0.0002755600000000, -0.0005079900000000 ] - [ 0.0001016300000000, -0.0002159000000000, -0.0004119000000000 ] - [ 0.0007643800000000, 0.0002882600000000, -0.0006219400000000 ] - [ -0.0000525100000000, -0.0005690700000000, -0.0016926100000000 ] - [ 0.0004190900000000, 0.0001247800000000, -0.0009688600000000 ] - [ -0.0024950900000000, -0.0005383100000000, 0.0003566200000000 ] - [ 0.0003032700000000, -0.0000391100000000, -0.0008813600000000 ] - [ -0.0004356600000000, -0.0000137400000000, -0.0007287900000000 ] - [ 0.0004397200000000, -0.0003964800000000, 0.0001752200000000 ] - [ 0.0002678600000000, -0.0006480300000000, 0.0005005900000000 ] - [ 0.0003201800000000, 0.0002332200000000, 0.0003703600000000 ] - [ 0.0000947100000000, 0.0005290900000000, 0.0000471700000000 ] - [ -0.0002410300000000, -0.0003289900000000, -0.0003546200000000 ] - [ 0.0005944600000000, -0.0011380600000000, -0.0003465900000000 ] - [ -0.0005021600000000, 0.0003176400000000, -0.0003083000000000 ] - [ -0.0004591400000000, 0.0006184900000000, -0.0001673000000000 ] - [ 0.0002407800000000, 0.0001421800000000, -0.0004735900000000 ] - [ 0.0001443400000000, 0.0003576000000000, -0.0001173800000000 ] - [ 0.0001184600000000, 0.0000145900000000, -0.0003036900000000 ] - [ 0.0000656100000000, -0.0002800500000000, -0.0005793600000000 ] - [ 0.0002478000000000, -0.0001662200000000, 0.0007167400000000 ] - [ 0.0008115200000000, 0.0004337200000000, 0.0007224400000000 ] - [ 0.0000346200000000, 0.0001310700000000, 0.0007837100000000 ] - [ 0.0001487600000000, -0.0002132700000000, 0.0009371200000000 ] - [ -0.0008586300000000, 0.0005424400000000, 0.0001399000000000 ] - [ 0.0002655600000000, 0.0006239300000000, 0.0006726000000000 ] - [ -0.0402586800000000, 0.0000813300000000, -0.0320053100000000 ] - [ 0.0002623000000000, -0.0006222300000000, 0.0003726800000000 ] - [ -0.0008829600000000, 0.0003167600000000, -0.0012677600000000 ] - [ 0.0007619400000000, -0.0001094900000000, 0.0001255100000000 ] - [ -0.0000757700000000, 0.0000705100000000, -0.0000298100000000 ] - [ 0.0006496700000000, 0.0001083000000000, -0.0000786700000000 ] - [ -0.0002131900000000, -0.0001301100000000, -0.0015615500000000 ] - [ 0.0008497700000000, 0.0000335700000000, 0.0017261500000000 ] - [ 0.0009469500000000, 0.0002473300000000, 0.0008751900000000 ] - [ -0.0004693900000000, -0.0001063600000000, -0.0010716700000000 ] - [ 0.0005510800000000, 0.0005743300000000, -0.0003602700000000 ] - [ 0.0006806800000000, 0.0006608000000000, -0.0022577200000000 ] - [ 0.0001971800000000, -0.0005367700000000, -0.0003369000000000 ] - [ 0.0003863400000000, -0.0006259200000000, -0.0002236400000000 ] - [ 0.0003190400000000, -0.0002619200000000, 0.0008114500000000 ] - [ -0.0002618100000000, -0.0002380200000000, 0.0005149700000000 ] - [ 0.0006096100000000, 0.0002091900000000, 0.0002983400000000 ] - [ -0.0002028500000000, 0.0002007500000000, 0.0008627200000000 ] - [ 0.0000337300000000, -0.0027409700000000, 0.0011553100000000 ] - [ -0.0004562700000000, -0.0001508600000000, 0.0002019200000000 ] - [ 0.0003263400000000, 0.0002772600000000, 0.0003930500000000 ] - [ -0.0001309800000000, 0.0000504700000000, 0.0002127200000000 ] - [ 0.0003269700000000, 0.0013338600000000, 0.0000463800000000 ] - [ -0.0007287600000000, 0.0006135500000000, -0.0005250200000000 ] - [ 0.0001107600000000, -0.0007620800000000, -0.0003383800000000 ] - [ -0.0003531700000000, -0.0005276700000000, -0.0005119800000000 ] - [ 0.0000230200000000, -0.0002801800000000, 0.0002460600000000 ] - [ -0.0011035800000000, -0.0003637700000000, 0.0002611900000000 ] - [ 0.0003026700000000, -0.0004682300000000, -0.0003232600000000 ] - [ -0.0008865100000000, -0.0004755000000000, -0.0001392700000000 ] - [ 0.0045815500000000, 0.0021735100000000, 0.0022919100000000 ] - [ -0.0012203200000000, 0.0003363300000000, 0.0003576400000000 ] - [ 0.0051506300000000, -0.0010824200000000, 0.0017972300000000 ] - [ -0.0008837100000000, 0.0004833000000000, -0.0000437400000000 ] - [ 0.0544796600000000, 0.0011039200000000, 0.0200032500000000 ] - [ -0.0008354900000000, -0.0001170100000000, 0.0007620900000000 ] - [ 0.0001244100000000, 0.0000751100000000, 0.0008045200000000 ] - [ -0.0007573600000000, 0.0000940800000000, 0.0005903400000000 ] - [ 0.0000291500000000, -0.0000749800000000, -0.0008805300000000 ] - [ 0.0005364100000000, -0.0001025800000000, -0.0009255300000000 ] - [ -0.0000789300000000, 0.0000598400000000, -0.0009300400000000 ] - [ 0.0013554100000000, 0.0001177100000000, -0.0000582100000000 ] - [ 0.0001182600000000, -0.0005539300000000, 0.0001489900000000 ] - [ -0.0004310900000000, 0.0017258900000000, 0.0010159200000000 ] - [ 0.0003798000000000, -0.0002456000000000, -0.0002562500000000 ] - [ -0.0000541500000000, -0.0022457600000000, 0.0004421000000000 ] - [ 0.0002640900000000, 0.0005949800000000, 0.0000403800000000 ] - [ 0.0006072600000000, 0.0004694600000000, 0.0000533600000000 ] - [ 0.0005568500000000, 0.0001341300000000, -0.0004218000000000 ] - [ 0.0008999000000000, 0.0003718900000000, -0.0003882700000000 ] - [ 0.0004003600000000, 0.0000947400000000, 0.0007613300000000 ] - [ -0.0003538800000000, 0.0017098400000000, -0.0006295300000000 ] - [ -0.0014147800000000, 0.0000449700000000, 0.0001110500000000 ] - [ -0.0003565600000000, -0.0007299500000000, 0.0014891900000000 ] - [ 0.0002456900000000, 0.0004005700000000, 0.0000290700000000 ] - [ -0.0006770200000000, -0.0013064000000000, -0.0013318600000000 ] - [ -0.0012331200000000, -0.0006121800000000, -0.0006310400000000 ] - [ -0.0003407700000000, 0.0002053500000000, 0.0003158600000000 ] - [ -0.0036774900000000, -0.0002570900000000, 0.0021239000000000 ] - [ -0.0013647300000000, -0.0002123200000000, -0.0007341200000000 ] - [ -0.0004717500000000, 0.0001301200000000, -0.0014457100000000 ] - [ -0.0005554300000000, 0.0002284400000000, -0.0004549300000000 ]- atom: 85 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0001992600000000, 0.0001475300000000, -0.0007023500000000 ] - [ -0.0000891600000000, 0.0001678500000000, -0.0007649200000000 ] - [ 0.0003268000000000, -0.0002754700000000, -0.0008231000000000 ] - [ -0.0001332300000000, -0.0002259000000000, -0.0008087600000000 ] - [ 0.0022798000000000, 0.0042534800000000, -0.0004881300000000 ] - [ -0.0001287500000000, 0.0002460000000000, 0.0004765100000000 ] - [ 0.0000829800000000, 0.0003057700000000, 0.0009302100000000 ] - [ -0.0001384400000000, -0.0002577800000000, 0.0004721400000000 ] - [ 0.0005737600000000, -0.0006962400000000, 0.0003559800000000 ] - [ 0.0004606300000000, -0.0006079100000000, 0.0003132600000000 ] - [ 0.0000848700000000, 0.0004630100000000, 0.0001189800000000 ] - [ 0.0004623500000000, 0.0005687400000000, 0.0003343300000000 ] - [ -0.0061993400000000, 0.0077152400000000, 0.0039751800000000 ] - [ -0.0003119200000000, -0.0005290400000000, -0.0001651200000000 ] - [ -0.0003476700000000, 0.0009328000000000, -0.0006677800000000 ] - [ -0.0002976300000000, 0.0005124900000000, -0.0001735200000000 ] - [ 0.0001485400000000, -0.0000497600000000, 0.0008598000000000 ] - [ 0.0000778300000000, 0.0000583600000000, 0.0008350800000000 ] - [ -0.0000165800000000, -0.0011601300000000, 0.0011719700000000 ] - [ 0.0000580800000000, -0.0000471300000000, 0.0008001600000000 ] - [ 0.0015185100000000, 0.0138738700000000, 0.0040247100000000 ] - [ -0.0003951400000000, -0.0002183400000000, 0.0005113300000000 ] - [ -0.0004389800000000, 0.0002410100000000, 0.0004925000000000 ] - [ -0.0003856500000000, 0.0002384900000000, 0.0005033900000000 ] - [ 0.0003743700000000, -0.0002405500000000, -0.0004971300000000 ] - [ 0.0003116000000000, -0.0003002600000000, -0.0005419200000000 ] - [ 0.0004187200000000, 0.0002510600000000, -0.0005469200000000 ] - [ 0.0010102600000000, -0.0004271900000000, -0.0013428200000000 ] - [ -0.0000957000000000, 0.0000209900000000, -0.0008397100000000 ] - [ 0.0014747500000000, 0.0035939600000000, -0.0033383700000000 ] - [ -0.0000837800000000, -0.0000557100000000, -0.0008208700000000 ] - [ -0.0000004500000000, -0.0000000700000000, -0.0007635300000000 ] - [ 0.0002493600000000, -0.0004953700000000, 0.0001921900000000 ] - [ 0.0003464900000000, -0.0005794700000000, 0.0003824000000000 ] - [ 0.0003066800000000, 0.0005340000000000, 0.0001492300000000 ] - [ 0.0002681900000000, 0.0004215300000000, 0.0001812000000000 ] - [ -0.0007341200000000, -0.0003220900000000, -0.0004386400000000 ] - [ -0.0001844400000000, -0.0005376200000000, -0.0003548700000000 ] - [ -0.0004288200000000, 0.0006212300000000, -0.0002922300000000 ] - [ -0.0004858200000000, 0.0005956100000000, -0.0003134000000000 ] - [ 0.0001155200000000, 0.0002365000000000, -0.0004699200000000 ] - [ 0.0000928600000000, 0.0001722400000000, -0.0006759300000000 ] - [ 0.0001219300000000, -0.0002125200000000, -0.0004524600000000 ] - [ 0.0001201300000000, -0.0002796500000000, -0.0004541400000000 ] - [ 0.0003584800000000, 0.0002870400000000, 0.0008278700000000 ] - [ -0.0001647600000000, 0.0001494500000000, 0.0007933200000000 ] - [ 0.0000615200000000, -0.0001338500000000, 0.0007672300000000 ] - [ 0.0001131400000000, -0.0001669500000000, 0.0007799700000000 ] - [ -0.0002951900000000, 0.0014448000000000, 0.0004347500000000 ] - [ -0.0003243000000000, 0.0005729400000000, 0.0003643800000000 ] - [ -0.0011888400000000, 0.0099380700000000, -0.0001932400000000 ] - [ -0.0003693000000000, -0.0005631100000000, 0.0003438300000000 ] - [ 0.0005722000000000, -0.0031666800000000, 0.0002416000000000 ] - [ 0.0002375600000000, -0.0000324200000000, -0.0000076700000000 ] - [ 0.0003055400000000, -0.0008560700000000, 0.0000831300000000 ] - [ 0.0002371700000000, 0.0001102400000000, -0.0000047300000000 ] - [ -0.0002429000000000, -0.0002905400000000, -0.0000008800000000 ] - [ -0.0003366500000000, 0.0003709200000000, -0.0001312300000000 ] - [ -0.0001488000000000, -0.0000785000000000, 0.0000153200000000 ] - [ -0.0002410300000000, 0.0004746100000000, 0.0000809100000000 ] - [ 0.0001292700000000, 0.0004060500000000, -0.0004334800000000 ] - [ 0.0004557500000000, -0.0012406100000000, -0.0003321900000000 ] - [ 0.0003200700000000, -0.0005898000000000, -0.0003250300000000 ] - [ 0.0002988300000000, -0.0006811300000000, -0.0003469100000000 ] - [ 0.0003185800000000, 0.0001453300000000, 0.0004520500000000 ] - [ 0.0002293300000000, -0.0000985900000000, 0.0005788000000000 ] - [ 0.0001903600000000, 0.0005318000000000, 0.0005836400000000 ] - [ 0.0002625500000000, 0.0002415300000000, 0.0005638200000000 ] - [ 0.0019247400000000, 0.0048290400000000, -0.0008456500000000 ] - [ 0.0001835800000000, -0.0000489000000000, 0.0003795800000000 ] - [ 0.0000028500000000, 0.0004139900000000, 0.0000558300000000 ] - [ 0.0000920600000000, 0.0001301900000000, 0.0002979400000000 ] - [ -0.0010250200000000, 0.0042593300000000, 0.0009581900000000 ] - [ -0.0002388300000000, 0.0006867700000000, -0.0004943900000000 ] - [ -0.0001598300000000, -0.0003198900000000, -0.0003617400000000 ] - [ -0.0001295400000000, -0.0006198800000000, -0.0004321300000000 ] - [ -0.0005244300000000, -0.0005774000000000, -0.0005292800000000 ] - [ -0.0007022900000000, -0.0003354600000000, 0.0003465000000000 ] - [ -0.0006339900000000, -0.0007296000000000, 0.0006500900000000 ] - [ -0.0004047000000000, -0.0004564200000000, -0.0001002600000000 ] - [ -0.0036786500000000, 0.0010173200000000, -0.0052020400000000 ] - [ -0.0006698400000000, 0.0003482800000000, 0.0003542600000000 ] - [ 0.0029223600000000, 0.0006509300000000, 0.0054843600000000 ] - [ -0.0004161100000000, 0.0004621000000000, -0.0000967400000000 ] - [ -0.0016868800000000, -0.0501285200000000, -0.0020584700000000 ] - [ -0.0002460500000000, -0.0000440800000000, 0.0008367200000000 ] - [ -0.0002940900000000, -0.0001720800000000, 0.0007652000000000 ] - [ -0.0002705200000000, 0.0000906400000000, 0.0008067800000000 ] - [ 0.0002893100000000, -0.0000945900000000, -0.0008453600000000 ] - [ 0.0002615800000000, 0.0000190500000000, -0.0008304800000000 ] - [ 0.0003095100000000, -0.0000286800000000, -0.0007392100000000 ] - [ 0.0002446200000000, 0.0002127500000000, -0.0008101400000000 ] - [ 0.0004105200000000, -0.0003853200000000, 0.0001913800000000 ] - [ -0.0012991600000000, 0.0025462500000000, 0.0008652600000000 ] - [ 0.0008502500000000, -0.0001887200000000, -0.0004452500000000 ] - [ 0.0024436100000000, 0.0028154300000000, -0.0011706000000000 ] - [ 0.0004232300000000, 0.0004722000000000, 0.0000874200000000 ] - [ 0.0004898700000000, 0.0005497100000000, 0.0000519700000000 ] - [ 0.0007042100000000, 0.0003176200000000, -0.0003628200000000 ] - [ 0.0006558900000000, 0.0003872100000000, -0.0003370400000000 ] - [ 0.0001038000000000, 0.0006199900000000, 0.0003934400000000 ] - [ 0.0001303800000000, 0.0004851000000000, 0.0004828000000000 ] - [ 0.0003577000000000, -0.0007508200000000, 0.0005844100000000 ] - [ 0.0003893500000000, -0.0006853100000000, 0.0001281100000000 ] - [ -0.0000634900000000, -0.0001168100000000, -0.0003046600000000 ] - [ -0.0000888100000000, -0.0002483900000000, -0.0003305600000000 ] - [ -0.0003821400000000, -0.0001972900000000, -0.0004211200000000 ] - [ -0.0001830400000000, 0.0000293800000000, -0.0001344800000000 ] - [ -0.0002903200000000, -0.0005351900000000, -0.0005378400000000 ] - [ -0.0002414000000000, -0.0003122400000000, -0.0005432000000000 ] - [ -0.0003180600000000, 0.0000512600000000, -0.0006466800000000 ] - [ -0.0002109700000000, 0.0001529700000000, -0.0006193800000000 ]- atom: 85 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0000003100000000, 0.0001998600000000, -0.0008474000000000 ] - [ -0.0001136200000000, 0.0001811700000000, -0.0007832100000000 ] - [ -0.0005289100000000, -0.0000654200000000, -0.0007198100000000 ] - [ -0.0000678400000000, -0.0001194700000000, -0.0007386800000000 ] - [ -0.0026251300000000, -0.0037896400000000, 0.0015195100000000 ] - [ -0.0001255200000000, 0.0002618300000000, 0.0004689700000000 ] - [ -0.0003321000000000, -0.0008112300000000, 0.0000109200000000 ] - [ -0.0001139400000000, -0.0002480800000000, 0.0004723300000000 ] - [ 0.0003746900000000, -0.0004918200000000, 0.0002728800000000 ] - [ 0.0004830000000000, -0.0005832100000000, 0.0003171900000000 ] - [ 0.0008625900000000, 0.0007236800000000, 0.0005171300000000 ] - [ 0.0004847100000000, 0.0006210200000000, 0.0002966400000000 ] - [ 0.0054007600000000, -0.0085637900000000, -0.0041205800000000 ] - [ -0.0002732600000000, -0.0004900800000000, -0.0001797200000000 ] - [ -0.0002330500000000, 0.0000844800000000, 0.0003179100000000 ] - [ -0.0002864700000000, 0.0005045700000000, -0.0001717100000000 ] - [ 0.0000110600000000, 0.0001549500000000, 0.0007996500000000 ] - [ 0.0000786700000000, 0.0000462500000000, 0.0008249700000000 ] - [ 0.0001761500000000, 0.0010534700000000, 0.0004973900000000 ] - [ 0.0000997500000000, -0.0000627100000000, 0.0008612200000000 ] - [ -0.0023314400000000, -0.0151463000000000, -0.0032671100000000 ] - [ -0.0003650800000000, -0.0002574500000000, 0.0004936000000000 ] - [ -0.0003188500000000, 0.0002361100000000, 0.0005119900000000 ] - [ -0.0003751200000000, 0.0002392900000000, 0.0005008100000000 ] - [ 0.0003840700000000, -0.0002364900000000, -0.0005074100000000 ] - [ 0.0004504900000000, -0.0001773600000000, -0.0004629700000000 ] - [ 0.0003372900000000, 0.0002271300000000, -0.0004545500000000 ] - [ -0.0002503300000000, 0.0009009800000000, 0.0003454000000000 ] - [ -0.0000659800000000, 0.0000822700000000, -0.0008179200000000 ] - [ -0.0015309300000000, -0.0034316900000000, 0.0015813700000000 ] - [ -0.0000761100000000, -0.0000485800000000, -0.0008401900000000 ] - [ -0.0001561700000000, -0.0001055900000000, -0.0008987200000000 ] - [ 0.0003335100000000, -0.0005225700000000, 0.0001511600000000 ] - [ 0.0002374100000000, -0.0004370000000000, -0.0000372400000000 ] - [ 0.0002749500000000, 0.0004881500000000, 0.0001933500000000 ] - [ 0.0003159000000000, 0.0005989700000000, 0.0001625600000000 ] - [ -0.0002112000000000, -0.0008727900000000, -0.0001885000000000 ] - [ -0.0007617200000000, -0.0006539100000000, -0.0002733700000000 ] - [ -0.0005189400000000, 0.0005717700000000, -0.0003400800000000 ] - [ -0.0004620300000000, 0.0005952700000000, -0.0003201700000000 ] - [ 0.0001372500000000, 0.0002717000000000, -0.0004779300000000 ] - [ 0.0001598400000000, 0.0003334500000000, -0.0002690000000000 ] - [ 0.0001304700000000, -0.0002996000000000, -0.0004929500000000 ] - [ 0.0001320400000000, -0.0002276400000000, -0.0004930200000000 ] - [ -0.0001562200000000, 0.0000646900000000, 0.0007236300000000 ] - [ 0.0003655900000000, 0.0001985100000000, 0.0007551200000000 ] - [ 0.0001390800000000, -0.0002172000000000, 0.0007791100000000 ] - [ 0.0000871400000000, -0.0001818000000000, 0.0007652400000000 ] - [ -0.0003253100000000, -0.0002763300000000, 0.0002885400000000 ] - [ -0.0003045600000000, 0.0005989400000000, 0.0003586900000000 ] - [ 0.0007231400000000, -0.0111316800000000, 0.0011412500000000 ] - [ -0.0002553900000000, -0.0006081800000000, 0.0003829100000000 ] - [ -0.0000671700000000, 0.0029423700000000, -0.0002641000000000 ] - [ 0.0002743700000000, -0.0001928600000000, 0.0000023800000000 ] - [ 0.0002108000000000, 0.0010818000000000, -0.0000909800000000 ] - [ 0.0002769000000000, 0.0001152100000000, -0.0000013800000000 ] - [ -0.0002706900000000, 0.0000660100000000, 0.0000127200000000 ] - [ -0.0001956200000000, -0.0005919600000000, 0.0001311800000000 ] - [ -0.0003776200000000, 0.0003025500000000, -0.0000170200000000 ] - [ -0.0002695000000000, -0.0002490500000000, -0.0000778000000000 ] - [ 0.0005054700000000, 0.0007667300000000, -0.0002883000000000 ] - [ 0.0001808300000000, 0.0024124800000000, -0.0003848800000000 ] - [ 0.0003050600000000, -0.0005817000000000, -0.0004027000000000 ] - [ 0.0003263500000000, -0.0004905000000000, -0.0003809900000000 ] - [ 0.0001600200000000, -0.0005675100000000, 0.0007175700000000 ] - [ 0.0002580000000000, -0.0003225500000000, 0.0005841800000000 ] - [ 0.0002933100000000, -0.0001099500000000, 0.0005807400000000 ] - [ 0.0002223400000000, 0.0001802000000000, 0.0005993900000000 ] - [ -0.0017766400000000, -0.0050909000000000, 0.0014385800000000 ] - [ -0.0000194200000000, -0.0001881300000000, 0.0002115500000000 ] - [ 0.0001589400000000, -0.0001783200000000, 0.0005366000000000 ] - [ 0.0000720700000000, 0.0001084700000000, 0.0002950400000000 ] - [ 0.0007395400000000, -0.0030015500000000, -0.0018162200000000 ] - [ -0.0000309100000000, 0.0005509600000000, -0.0003722800000000 ] - [ -0.0001121600000000, -0.0009163500000000, -0.0005022900000000 ] - [ -0.0001403500000000, -0.0006176200000000, -0.0004333300000000 ] - [ -0.0009000900000000, -0.0000937500000000, 0.0012177900000000 ] - [ -0.0007163500000000, -0.0003362700000000, 0.0003392300000000 ] - [ -0.0002070400000000, -0.0002071700000000, -0.0008376700000000 ] - [ -0.0004326000000000, -0.0004794400000000, -0.0000840300000000 ] - [ 0.0022516900000000, -0.0003583400000000, 0.0058423500000000 ] - [ -0.0007482200000000, 0.0003239400000000, 0.0003307600000000 ] - [ -0.0037659400000000, 0.0002937100000000, -0.0056998800000000 ] - [ -0.0004214300000000, 0.0004741400000000, -0.0000887000000000 ] - [ 0.0012088600000000, 0.0505738200000000, 0.0035794400000000 ] - [ -0.0003114600000000, -0.0001282500000000, 0.0007868700000000 ] - [ -0.0002684100000000, 0.0003461600000000, 0.0008631200000000 ] - [ -0.0002864300000000, 0.0000825300000000, 0.0008209100000000 ] - [ 0.0002718900000000, -0.0000784900000000, -0.0007785500000000 ] - [ 0.0002977400000000, -0.0001915400000000, -0.0007932700000000 ] - [ 0.0002504300000000, 0.0002030200000000, -0.0008898200000000 ] - [ 0.0003074800000000, -0.0000394800000000, -0.0008181900000000 ] - [ 0.0004282100000000, -0.0005479100000000, -0.0000066600000000 ] - [ 0.0021388600000000, -0.0034894500000000, -0.0006861400000000 ] - [ 0.0005699700000000, -0.0004861100000000, -0.0002388900000000 ] - [ -0.0010110300000000, -0.0034711500000000, 0.0004758700000000 ] - [ 0.0004173500000000, 0.0004626900000000, 0.0000988900000000 ] - [ 0.0003478900000000, 0.0003859100000000, 0.0001347400000000 ] - [ 0.0007177100000000, 0.0003559600000000, -0.0003194800000000 ] - [ 0.0007633100000000, 0.0002850500000000, -0.0003455500000000 ] - [ 0.0001657000000000, 0.0006205600000000, 0.0004730200000000 ] - [ 0.0001463100000000, 0.0007433500000000, 0.0003926900000000 ] - [ -0.0000704600000000, -0.0004951400000000, 0.0002835300000000 ] - [ -0.0001217700000000, -0.0005545700000000, 0.0007380500000000 ] - [ -0.0001014200000000, -0.0001227300000000, -0.0002874500000000 ] - [ -0.0000649500000000, 0.0000225300000000, -0.0002487800000000 ] - [ 0.0002310700000000, 0.0004438200000000, -0.0001694800000000 ] - [ 0.0000175700000000, 0.0002095500000000, -0.0004571200000000 ] - [ -0.0001763100000000, 0.0001145900000000, -0.0006382700000000 ] - [ -0.0002308700000000, -0.0001098400000000, -0.0006270800000000 ] - [ -0.0001607200000000, 0.0003711700000000, -0.0005069300000000 ] - [ -0.0002745100000000, 0.0002684200000000, -0.0005421400000000 ]- atom: 85 displacement: [ -0.0007714822112317, 0.0000000000000000, 0.0099701963470011 ] forces: - [ 0.0001062500000000, 0.0005282700000000, -0.0011488200000000 ] - [ -0.0003081500000000, 0.0002893900000000, -0.0007764500000000 ] - [ -0.0007605600000000, 0.0005248000000000, -0.0000169500000000 ] - [ -0.0000083300000000, -0.0000082500000000, -0.0006932000000000 ] - [ -0.0021055800000000, -0.0009450200000000, 0.0033888200000000 ] - [ -0.0002185200000000, 0.0003121600000000, 0.0004884300000000 ] - [ -0.0001640300000000, -0.0008322800000000, -0.0006685500000000 ] - [ -0.0000927400000000, -0.0001855800000000, 0.0004039400000000 ] - [ 0.0006900500000000, -0.0009531700000000, -0.0000444900000000 ] - [ 0.0002531800000000, -0.0007258900000000, 0.0003002100000000 ] - [ -0.0002064000000000, -0.0000994700000000, 0.0012626700000000 ] - [ 0.0005351400000000, 0.0004520100000000, 0.0003976600000000 ] - [ -0.0042267000000000, 0.0031323300000000, 0.0045396300000000 ] - [ -0.0003559200000000, -0.0005667400000000, -0.0001379100000000 ] - [ -0.0001632600000000, 0.0011657600000000, -0.0014868200000000 ] - [ -0.0002800100000000, 0.0004495200000000, -0.0002434500000000 ] - [ 0.0001449800000000, 0.0003837700000000, 0.0004278400000000 ] - [ -0.0000213700000000, 0.0000908500000000, 0.0007507300000000 ] - [ 0.0001766100000000, 0.0007191900000000, 0.0017570700000000 ] - [ 0.0000189200000000, -0.0000385500000000, 0.0009483000000000 ] - [ -0.0007022600000000, 0.0048673400000000, 0.0047007000000000 ] - [ -0.0004095700000000, -0.0002344300000000, 0.0005926300000000 ] - [ -0.0003034400000000, 0.0001239600000000, -0.0001352700000000 ] - [ -0.0004661200000000, 0.0002255200000000, 0.0004289500000000 ] - [ 0.0004611000000000, -0.0003777500000000, -0.0006538800000000 ] - [ 0.0002116600000000, -0.0004639300000000, -0.0007249800000000 ] - [ 0.0000745200000000, 0.0000796700000000, -0.0002285400000000 ] - [ 0.0012618800000000, -0.0007242400000000, -0.0004092900000000 ] - [ -0.0003446100000000, -0.0000237800000000, -0.0004187600000000 ] - [ -0.0026635000000000, -0.0028340600000000, 0.0045651000000000 ] - [ -0.0000445200000000, -0.0000183700000000, -0.0011112800000000 ] - [ -0.0002126500000000, -0.0000809000000000, -0.0012523800000000 ] - [ 0.0003994600000000, -0.0003930800000000, 0.0002501000000000 ] - [ 0.0001654900000000, -0.0002556500000000, 0.0003539300000000 ] - [ 0.0001068700000000, 0.0007630800000000, -0.0000285200000000 ] - [ 0.0005132800000000, 0.0007005000000000, -0.0000463900000000 ] - [ -0.0003273800000000, -0.0005188600000000, 0.0004337100000000 ] - [ -0.0003352800000000, -0.0006179500000000, 0.0000038100000000 ] - [ -0.0006143100000000, 0.0007784900000000, -0.0007693400000000 ] - [ -0.0005144700000000, 0.0006777400000000, -0.0006225100000000 ] - [ 0.0002502700000000, 0.0001411500000000, -0.0003945300000000 ] - [ 0.0001007300000000, 0.0000783000000000, -0.0002629200000000 ] - [ -0.0000744500000000, -0.0004892300000000, -0.0006556000000000 ] - [ 0.0002392700000000, -0.0003659000000000, -0.0006602300000000 ] - [ 0.0002709000000000, 0.0000597900000000, 0.0015099100000000 ] - [ 0.0002258900000000, 0.0001843000000000, 0.0010504800000000 ] - [ -0.0000556800000000, -0.0003459900000000, 0.0002969700000000 ] - [ 0.0000272000000000, -0.0002530400000000, 0.0004548400000000 ] - [ 0.0002728800000000, 0.0005107400000000, -0.0015651700000000 ] - [ -0.0006354400000000, 0.0005908200000000, 0.0000655800000000 ] - [ 0.0250076700000000, -0.0012159000000000, 0.0409127100000000 ] - [ -0.0000970400000000, -0.0006269900000000, 0.0007641900000000 ] - [ 0.0001727400000000, 0.0002364700000000, -0.0003685300000000 ] - [ 0.0001000400000000, -0.0001176400000000, 0.0000837400000000 ] - [ -0.0000160800000000, 0.0001824100000000, -0.0012205200000000 ] - [ 0.0003019300000000, 0.0000997300000000, -0.0001446200000000 ] - [ -0.0003392300000000, -0.0000938900000000, -0.0014611400000000 ] - [ -0.0023277900000000, -0.0002819600000000, -0.0002956900000000 ] - [ -0.0013146400000000, 0.0000296900000000, -0.0007502800000000 ] - [ 0.0004292600000000, 0.0000164300000000, -0.0007825900000000 ] - [ 0.0006160300000000, 0.0006177700000000, 0.0001173300000000 ] - [ 0.0007699200000000, 0.0006925100000000, 0.0001319000000000 ] - [ 0.0001982900000000, -0.0006021200000000, -0.0007787200000000 ] - [ 0.0003061900000000, -0.0005680000000000, -0.0007745100000000 ] - [ 0.0001164400000000, -0.0002326700000000, 0.0006126600000000 ] - [ 0.0004069100000000, -0.0001968500000000, 0.0003851900000000 ] - [ 0.0005200000000000, 0.0002038900000000, 0.0007958100000000 ] - [ 0.0001377900000000, 0.0002038000000000, 0.0006982000000000 ] - [ -0.0006687400000000, -0.0013868000000000, -0.0006012200000000 ] - [ 0.0001343200000000, -0.0000695600000000, 0.0002078600000000 ] - [ 0.0002501400000000, 0.0003091900000000, 0.0015042800000000 ] - [ 0.0001892100000000, 0.0002015100000000, 0.0004862000000000 ] - [ -0.0003732900000000, 0.0007338100000000, -0.0014017700000000 ] - [ -0.0000632500000000, 0.0005505700000000, -0.0005339000000000 ] - [ 0.0000592600000000, -0.0008992500000000, 0.0008564400000000 ] - [ -0.0000308800000000, -0.0007086400000000, -0.0002606900000000 ] - [ -0.0014094400000000, -0.0009090700000000, 0.0025711500000000 ] - [ -0.0007002600000000, -0.0004064100000000, 0.0004011700000000 ] - [ -0.0010057700000000, 0.0000660600000000, 0.0020621500000000 ] - [ -0.0004377400000000, -0.0003972300000000, -0.0000026200000000 ] - [ 0.0009583800000000, -0.0046486700000000, 0.0062056100000000 ] - [ -0.0004927200000000, 0.0003214400000000, 0.0002762900000000 ] - [ 0.0017597000000000, 0.0053318800000000, 0.0066842800000000 ] - [ -0.0002782400000000, 0.0005105600000000, -0.0001768800000000 ] - [ -0.0178157400000000, -0.0029004500000000, -0.0722318100000000 ] - [ -0.0002930400000000, -0.0000632400000000, 0.0004460200000000 ] - [ -0.0001738100000000, 0.0001336900000000, 0.0021752300000000 ] - [ -0.0000775500000000, 0.0000933900000000, 0.0011636100000000 ] - [ 0.0003434100000000, -0.0000515500000000, -0.0005366200000000 ] - [ 0.0004252900000000, -0.0000684400000000, -0.0005919800000000 ] - [ 0.0003540100000000, 0.0001585500000000, -0.0011542600000000 ] - [ -0.0004126900000000, 0.0000919500000000, -0.0013018300000000 ] - [ 0.0003954500000000, -0.0005101000000000, -0.0001973400000000 ] - [ 0.0005517800000000, -0.0007352500000000, -0.0009260700000000 ] - [ 0.0006389300000000, -0.0003233800000000, -0.0006232000000000 ] - [ 0.0005328800000000, -0.0002518300000000, -0.0011711400000000 ] - [ 0.0005040300000000, 0.0004135900000000, 0.0003937900000000 ] - [ 0.0002795300000000, 0.0004096200000000, 0.0005219500000000 ] - [ 0.0008181400000000, 0.0004158400000000, -0.0000171900000000 ] - [ 0.0005893800000000, 0.0003730200000000, 0.0000762800000000 ] - [ 0.0002740100000000, 0.0000666200000000, 0.0009799900000000 ] - [ 0.0008193800000000, -0.0006859200000000, 0.0014892200000000 ] - [ 0.0018270000000000, -0.0013474400000000, 0.0004631400000000 ] - [ -0.0005827900000000, -0.0008037400000000, 0.0006438400000000 ] - [ 0.0000549400000000, 0.0004522000000000, 0.0001361800000000 ] - [ 0.0006648500000000, 0.0013634100000000, 0.0007809900000000 ] - [ 0.0014004200000000, 0.0009898500000000, -0.0002171800000000 ] - [ -0.0005766900000000, 0.0002729800000000, -0.0001933200000000 ] - [ -0.0035604700000000, -0.0001842000000000, 0.0008136400000000 ] - [ 0.0005354800000000, -0.0002184900000000, -0.0015350000000000 ] - [ 0.0003209800000000, 0.0002544700000000, 0.0004558300000000 ] - [ -0.0006075100000000, 0.0002314300000000, -0.0002620800000000 ]- atom: 85 displacement: [ 0.0007714822112317, 0.0000000000000000, -0.0099701963470011 ] forces: - [ -0.0003054300000000, -0.0001779300000000, -0.0003969300000000 ] - [ 0.0001060700000000, 0.0000608100000000, -0.0007707100000000 ] - [ 0.0005610500000000, -0.0008718000000000, -0.0015348200000000 ] - [ -0.0001914000000000, -0.0003389400000000, -0.0008556800000000 ] - [ 0.0016972200000000, 0.0013262800000000, -0.0023284000000000 ] - [ -0.0000325800000000, 0.0001938400000000, 0.0004567500000000 ] - [ -0.0000872000000000, 0.0003270200000000, 0.0016152400000000 ] - [ -0.0001588600000000, -0.0003212000000000, 0.0005425900000000 ] - [ 0.0002586400000000, -0.0002390800000000, 0.0006775200000000 ] - [ 0.0006935600000000, -0.0004648300000000, 0.0003308400000000 ] - [ 0.0011541300000000, 0.0012910900000000, -0.0006386900000000 ] - [ 0.0004126500000000, 0.0007392300000000, 0.0002322400000000 ] - [ 0.0035106400000000, -0.0039775200000000, -0.0048002300000000 ] - [ -0.0002257700000000, -0.0004519100000000, -0.0002066600000000 ] - [ -0.0004185200000000, -0.0001538500000000, 0.0011420100000000 ] - [ -0.0003033600000000, 0.0005681000000000, -0.0001020300000000 ] - [ 0.0000113000000000, -0.0002767800000000, 0.0012329700000000 ] - [ 0.0001800500000000, 0.0000138300000000, 0.0009098000000000 ] - [ -0.0000216600000000, -0.0008202200000000, -0.0001002000000000 ] - [ 0.0001399100000000, -0.0000670400000000, 0.0007114600000000 ] - [ -0.0000589500000000, -0.0053506400000000, -0.0036633900000000 ] - [ -0.0003497000000000, -0.0002434900000000, 0.0004115300000000 ] - [ -0.0004576900000000, 0.0003524700000000, 0.0011392300000000 ] - [ -0.0002930300000000, 0.0002504300000000, 0.0005763900000000 ] - [ 0.0002995600000000, -0.0000957000000000, -0.0003513000000000 ] - [ 0.0005465600000000, -0.0000130900000000, -0.0002801900000000 ] - [ 0.0006851000000000, 0.0003964400000000, -0.0007758100000000 ] - [ -0.0004978200000000, 0.0012008000000000, -0.0005994200000000 ] - [ 0.0001882200000000, 0.0001268500000000, -0.0012412700000000 ] - [ 0.0026404700000000, 0.0030780400000000, -0.0063318600000000 ] - [ -0.0001126100000000, -0.0000858600000000, -0.0005493600000000 ] - [ 0.0000522000000000, -0.0000254200000000, -0.0004083600000000 ] - [ 0.0001834700000000, -0.0006240800000000, 0.0000956400000000 ] - [ 0.0004166700000000, -0.0007606800000000, -0.0000051800000000 ] - [ 0.0004773700000000, 0.0002569100000000, 0.0003717900000000 ] - [ 0.0000691900000000, 0.0003184100000000, 0.0003885000000000 ] - [ -0.0006200400000000, -0.0006702500000000, -0.0010647800000000 ] - [ -0.0006056400000000, -0.0005754600000000, -0.0006356600000000 ] - [ -0.0003313900000000, 0.0004124200000000, 0.0001382600000000 ] - [ -0.0004323500000000, 0.0005145100000000, -0.0000088200000000 ] - [ 0.0000016500000000, 0.0003652000000000, -0.0005522300000000 ] - [ 0.0001513900000000, 0.0004276800000000, -0.0006786500000000 ] - [ 0.0003284700000000, -0.0000179800000000, -0.0002896200000000 ] - [ 0.0000129900000000, -0.0001402600000000, -0.0002879500000000 ] - [ -0.0000711400000000, 0.0002857000000000, 0.0000374600000000 ] - [ -0.0000219200000000, 0.0001640400000000, 0.0004971200000000 ] - [ 0.0002577100000000, -0.0000030600000000, 0.0012511800000000 ] - [ 0.0001727600000000, -0.0000965800000000, 0.0010918800000000 ] - [ -0.0008955000000000, 0.0006606800000000, 0.0022849000000000 ] - [ 0.0000095000000000, 0.0005805700000000, 0.0006600800000000 ] - [ -0.0269051500000000, 0.0001031700000000, -0.0415102100000000 ] - [ -0.0005272300000000, -0.0005447100000000, -0.0000395000000000 ] - [ 0.0003468800000000, -0.0004657900000000, 0.0003796300000000 ] - [ 0.0004150400000000, -0.0001072200000000, -0.0000868700000000 ] - [ 0.0005341500000000, 0.0000439700000000, 0.0012218800000000 ] - [ 0.0002138600000000, 0.0001254200000000, 0.0001380800000000 ] - [ -0.0001827600000000, -0.0001310100000000, 0.0014713200000000 ] - [ 0.0018014200000000, 0.0000537300000000, 0.0003156200000000 ] - [ 0.0008036600000000, 0.0001945700000000, 0.0007515500000000 ] - [ -0.0009474700000000, 0.0002081200000000, 0.0007846800000000 ] - [ 0.0000045200000000, 0.0005534200000000, -0.0008426100000000 ] - [ -0.0001406000000000, 0.0004787100000000, -0.0008727400000000 ] - [ 0.0004296100000000, -0.0005694200000000, 0.0000560000000000 ] - [ 0.0003192200000000, -0.0006033000000000, 0.0000491900000000 ] - [ 0.0003717300000000, -0.0001886500000000, 0.0005438800000000 ] - [ 0.0000772900000000, -0.0002248900000000, 0.0007746300000000 ] - [ -0.0000404200000000, 0.0002169800000000, 0.0003691600000000 ] - [ 0.0003459300000000, 0.0002176500000000, 0.0004660100000000 ] - [ 0.0008409700000000, 0.0011760400000000, 0.0011846700000000 ] - [ 0.0000264200000000, -0.0001665700000000, 0.0003835100000000 ] - [ -0.0000898800000000, -0.0000729200000000, -0.0009154500000000 ] - [ -0.0000264300000000, 0.0000356100000000, 0.0001061500000000 ] - [ 0.0001063800000000, 0.0004955800000000, 0.0005312000000000 ] - [ -0.0002106500000000, 0.0006868300000000, -0.0003326400000000 ] - [ -0.0003326800000000, -0.0003384300000000, -0.0017270800000000 ] - [ -0.0002398800000000, -0.0005293200000000, -0.0006042600000000 ] - [ -0.0000185700000000, 0.0002318000000000, -0.0018777600000000 ] - [ -0.0007221100000000, -0.0002652400000000, 0.0002824100000000 ] - [ 0.0001606600000000, -0.0009952500000000, -0.0022394500000000 ] - [ -0.0004030100000000, -0.0005384400000000, -0.0001840800000000 ] - [ -0.0024190500000000, 0.0053805300000000, -0.0055974200000000 ] - [ -0.0009287400000000, 0.0003495000000000, 0.0004094700000000 ] - [ -0.0026544000000000, -0.0044689500000000, -0.0069732300000000 ] - [ -0.0005624700000000, 0.0004258300000000, -0.0000081100000000 ] - [ 0.0187843800000000, 0.0024869300000000, 0.0752307600000000 ] - [ -0.0002682000000000, -0.0001095300000000, 0.0011791900000000 ] - [ -0.0003854900000000, 0.0000396700000000, -0.0005477600000000 ] - [ -0.0004833600000000, 0.0000793600000000, 0.0004620600000000 ] - [ 0.0002168500000000, -0.0001212900000000, -0.0010902800000000 ] - [ 0.0001361800000000, -0.0001042200000000, -0.0010352700000000 ] - [ 0.0002074400000000, 0.0000143700000000, -0.0004692800000000 ] - [ 0.0009775800000000, 0.0000803700000000, -0.0003176600000000 ] - [ 0.0004454700000000, -0.0004266900000000, 0.0003827400000000 ] - [ 0.0002776300000000, -0.0001841100000000, 0.0011169400000000 ] - [ 0.0007838700000000, -0.0003462900000000, -0.0000620200000000 ] - [ 0.0008780400000000, -0.0004357000000000, 0.0004891500000000 ] - [ 0.0003350600000000, 0.0005224100000000, -0.0002080500000000 ] - [ 0.0005616600000000, 0.0005269800000000, -0.0003352800000000 ] - [ 0.0006024900000000, 0.0002553400000000, -0.0006673800000000 ] - [ 0.0008332400000000, 0.0002974800000000, -0.0007594800000000 ] - [ -0.0000036200000000, 0.0011701700000000, -0.0001157400000000 ] - [ -0.0005474600000000, 0.0019101400000000, -0.0006168800000000 ] - [ -0.0015543900000000, 0.0001086800000000, 0.0004044900000000 ] - [ 0.0008515100000000, -0.0004328300000000, 0.0002262300000000 ] - [ -0.0002186900000000, -0.0006873500000000, -0.0007297300000000 ] - [ -0.0008258100000000, -0.0015832400000000, -0.0013643800000000 ] - [ -0.0015633800000000, -0.0007529100000000, -0.0003734400000000 ] - [ 0.0004135400000000, -0.0000378600000000, -0.0003958900000000 ] - [ 0.0030827500000000, -0.0002383000000000, -0.0019836100000000 ] - [ -0.0010185500000000, -0.0002034800000000, 0.0003558700000000 ] - [ -0.0008131700000000, 0.0001669500000000, -0.0016212300000000 ] - [ 0.0001222600000000, 0.0001898800000000, -0.0008988500000000 ]